# cif

formula: (Fe.935 Mg1.065) Si O4
compound: Boseti volcano, Ethiopia
pub_title: Order and anti-order in olivine I: structural response to temperature Sample: Bo-10, T = 753 C
formula_title: <missing>
a: 4.8270
b: 10.4381
c: 6.1023
alpha: 90
beta: 90
gamma: 90
cell_volume: 307.463
crystal_density: 3.677
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formula: (Fe.935 Mg1.065) Si O4
compound: Boseti volcano, Ethiopia
pub_title: Order and anti-order in olivine I: structural response to temperature Sample: Bo-2, T = 748 C
formula_title: <missing>
a: 4.8257
b: 10.4373
c: 6.1009
alpha: 90
beta: 90
gamma: 90
cell_volume: 307.286
crystal_density: 3.679
atoms_sites: ["FeM1", "MgM1", "FeM2", "MgM2", "Si", "O1", "O2", "O3"]
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formula: (Fe.935 Mg1.065) Si O4
compound: Boseti volcano, Ethiopia
pub_title: Order and anti-order in olivine I: structural response to temperature Sample: Bo-2, T = 804 C
formula_title: <missing>
a: 4.8291
b: 10.4433
c: 6.1058
alpha: 90
beta: 90
gamma: 90
cell_volume: 307.926
crystal_density: 3.671
atoms_sites: ["FeM1", "MgM1", "FeM2", "MgM2", "Si", "O1", "O2", "O3"]
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formula: (Fe.935 Mg1.065) Si O4
compound: Boseti volcano, Ethiopia
pub_title: Order and anti-order in olivine I: structural response to temperature Sample: Bo-2, T = 852 C
formula_title: <missing>
a: 4.8325
b: 10.4552
c: 6.1128
alpha: 90
beta: 90
gamma: 90
cell_volume: 308.848
crystal_density: 3.660
atoms_sites: ["FeM1", "MgM1", "FeM2", "MgM2", "Si", "O1", "O2", "O3"]
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formula: (Fe.935 Mg1.065) Si O4
compound: Boseti volcano, Ethiopia
pub_title: Order and anti-order in olivine I: structural response to temperature Sample: Bo-2, T = 907 C
formula_title: <missing>
a: 4.8358
b: 10.4636
c: 6.1176
alpha: 90
beta: 90
gamma: 90
cell_volume: 309.550
crystal_density: 3.652
atoms_sites: ["FeM1", "MgM1", "FeM2", "MgM2", "Si", "O1", "O2", "O3"]
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formula: Fe Si2 O6 H
compound: Garfield, Washington, USA
formula_title: <missing>
a: 5.277
b: 9.140
c: 9.780
alpha: 90
beta: 101.0
gamma: 90
cell_volume: 463.040
crystal_density: 2.998
atoms_sites: ["FeM", "SiT", "O1", "O2", "O3", "O-H"]
atoms_x: gIQeAFDtEgBg4hIAYOISAJCeAwBQ1RYA
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pub_title:
 Interpretation of the nontonite-dehydroxylate Mossbauer spectrum using EFG calculations
 Sample: tv structure

qdat:
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formula: Na.41 Fe2 Si4 O10.01
compound: Garfield, Washington, USA
formula_title: <missing>
a: 5.277
b: 9.140
c: 9.60
alpha: 90
beta: 90
gamma: 90
cell_volume: 463.025
crystal_density: 2.823
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
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atoms_aniso_u23: 0
pub_title:
 Interpretation of the nontonite-dehydroxylate Mossbauer spectrum using EFG calculations
 Sample: Model 2

atoms_sites:
["Na1", "Na2", "Na3", "Na4", "FeM11", "FeM12", "FeM21", "FeM22", "SiT11", "SiT12", "SiT21", "SiT22", "SiT31", "SiT32", "SiT41", "SiT42", "O11", "O12", "O21", "O22", "O31", "O32", "O41", "O42", "OR1", "OR2", "O51", "O52", "O61", "O62", "O71", "O72", "O81", "O82", "O91", "O92", "O101", "O102"]

atoms_x:

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qdat:
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formula: Mn23.52 Na5.81 P18 O72.48 H.96
compound: <missing>
formula_title: Na(NaMn)7Mn22(PO4)18*0.5H2O
a: 15.2741
b: 15.2741
c: 43.334
alpha: 90
beta: 90
gamma: 120
cell_volume: 8755.293
crystal_density: 3.578
pub_title:
 Hydrothermal synthesis and crystal structure of Na(NaMn)7Mn22(PO4)18*0.5H2O,
 a new compund of fillowite structure type

atoms_sites:
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formula: Na.511 Mn1.113 Ca.096 Mg.083 Fe1.182 Al.785 P3 O12
compound: Buranga pegmatite, Rwanda
pub_title: A structural, infrared, and Mossbauer spectral study of rosemaryite, NdMnFe3+Al(PO4)3
formula_title: <missing>
a: 12.001
b: 12.396
c: 6.329
alpha: 90
beta: 114.48
gamma: 90
cell_volume: 856.892
crystal_density: 3.495
atoms_aniso_label: "<missing>"
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atoms_sites:
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formula: Cu1.5 Ni.5 C O5 H2
compound: <missing>
pub_title: The malachite-rosasite group: crystal structures of glaukosphaerite and pokrovskite
formula_title: <missing>
a: 12.0613
b: 9.3653
c: 3.1361
alpha: 90
beta: 98.085
gamma: 90
cell_volume: 350.726
crystal_density: 4.142
atoms_sites: ["CuMe1", "NiMe2", "CuMe2", "C", "O1", "O2", "O3", "O-H4", "O-H5"]
atoms_x: kP4MAFDPFwBQzxcAAE0IAEDWBwBALw4AEOMCAABjFQCAuxkA
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atoms_aniso_label: "<missing>"
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formula: Mg1.76 C O5 H2
compound: <missing>
pub_title: The malachite-rosasite group: crystal structures of glaukosphaerite and pokrovskite
formula_title: <missing>
a: 12.2396
b: 9.3506
c: 3.1578
alpha: 90
beta: 96.445
gamma: 90
cell_volume: 359.119
crystal_density: 2.530
atoms_sites: ["MgMe1", "MgMe2", "C", "O1", "O2", "O3", "O-H4", "O-H5"]
atoms_x: oPMMANBYGABwLAkAMCYJAACmDgBAvAMAgFAWAGA1GgA=
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qdat:
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formula: (Fe2.75 Al.25) P2 O16 H13
compound: Grube mark, Esserhausen, Weilburg/Lahn, Taunus, Hesse, Germany
formula_title: <missing>
a: 9.777
b: 7.358
c: 17.830
alpha: 90
beta: 92.19
gamma: 90
cell_volume: 1281.739
crystal_density: 2.546
atoms_aniso_label: ["Fe1", "Al1", "Fe2", "Al2", "Fe3", "Al3", "P1", "P2"]
atoms_aniso_u11: gB8BAIAfAQAg/QAAIP0AAAATAQAAEwEAUA4BAGA1AQA=
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atoms_aniso_u23: cBcAAHAXAABgCQAAYAkAAKD2//+g9v//oPb//6AoAAA=
pub_title:
 Allanpringite, Fe3(PO4)2(OH)3*5H2O, a new ferric iron phosphate from Germany,
 and its close relation to wavellite

atoms_sites:
["Fe1", "Al1", "Fe2", "Al2", "Fe3", "Al3", "P1", "P2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O-H9", "Wat10", "Wat11", "O-H12", "O-H13", "Wat14", "Wat15", "Wat16a", "Wat16b"]

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atoms_y:
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formula: Bi7 (Mo1.78 P.16 V.06) As3 O24
compound: Pucher Richtschacht, Schneeberg, Saxony, Germany
pub_title: Schlegelite, Bi7O4(MoO4)2(AsO4)3, a new mineral from Schneeberg, Saxony, Germany
formula_title: <missing>
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cell_volume: 2047.285
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formula: Cu2.582 Mg2.418 As2 O16 H12
compound: El Guanaco Mine, Taltal, Chile
formula_title: <missing>
a: 5.475
b: 16.865
c: 6.915
alpha: 90
beta: 99.80
gamma: 90
cell_volume: 629.185
crystal_density: 3.382
atoms_aniso_label: ["Cu1", "MgCu1", "Cu2", "Mg3", "CuMg3", "As", "O1", "O2", "O3", "O4", "O-h5", "O-h6", "Ow1", "Ow2"]
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pub_title:
 Guanacoite, Cu2Mg2(Mg0.5Cu0.5)(OH)4(H2O)4(AsO4)2, a new arsenate mineral
 species from the El Guanaco Mine, near Taltal, Chile: Description and crystal structure

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formula: Si (Mg1.55 Fe.45) O4
compound: Saar-Nahe basin, Germany
formula_title: <missing>
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b: 10.2676
c: 6.0112
alpha: 90
beta: 90
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pub_title:
 Order and anti-order in olivine III: variation of the cation distribution
 in the Fe,Mg olivine solid solution series with temperature and composition
 Sample: CSR-2, T = 20 C

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compound: Saar-Nahe basin, Germany
formula_title: <missing>
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pub_title:
 Order and anti-order in olivine III: variation of the cation distribution,
 in the Fe,Mg olivine solid solution series with temperature and composition
 Sample: CSR-2, T = 450 C

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formula: Si (Mg1.56 Fe.44) O4
compound: Saar-Nahe basin, Germany
formula_title: <missing>
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b: 10.3412
c: 6.0543
alpha: 90
beta: 90
gamma: 90
cell_volume: 300.315
crystal_density: 3.419
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pub_title:
 Order and anti-order in olivine III: variation of the cation distribution,
 in the Fe,Mg olivine solid solution series with temperature and composition
 Sample: CSR-2, T = 600 C

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formula: Si (Mg1.56 Fe.44) O4
compound: Saar-Nahe basin, Germany
formula_title: <missing>
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alpha: 90
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pub_title:
 Order and anti-order in olivine III: variation of the cation distribution,
 in the Fe,Mg olivine solid solution series with temperature and composition
 Sample: CSR-2, T = 677 C

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compound: Saar-Nahe basin, Germany
formula_title: <missing>
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alpha: 90
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pub_title:
 Order and anti-order in olivine III: variation of the cation distribution,
 in the Fe,Mg olivine solid solution series with temperature and composition
 Sample: CSR-2, T = 725 C

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formula: Si (Mg1.56 Fe.44) O4
compound: Saar-Nahe basin, Germany
formula_title: <missing>
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pub_title:
 Order and anti-order in olivine III: variation of the cation distribution,
 in the Fe,Mg olivine solid solution series with temperature and composition
 Sample: CSR-2, T = 800 C

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formula: Na Ca Cu5 As4 O21 Cl H10
compound: Hilarion mine, Lavrion, Greece
pub_title: The crystal structures of lavendulan, sampleite, and a new polymorph of sampleite
formula_title: <missing>
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compound: Northparkes mine, Goonumbla, New South Wales, Australia
pub_title: The crystal structures of lavendulan, sampleite, and a new polymorph of sampleite
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pub_title:
 The crystal structures of lavendulan, sampleite, and a new polymorph of sampleite
 Note: This is a polymorph or perhaps polytype of sampleite

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formula: Ca3.006 Ce.931 La.542 Nd.261 Y.179 Pr.079 (Si1.95 P1.05) O12 F
compound: Mount Kukisvumchorr, Khibiny alkaline complex, Kola Peninsula, Russia
pub_title: Fluorcalciobritholite, (Ca,REE)5[(Si,P)O4]3F, a new mineral: description and crystal chemistry
formula_title: <missing>
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compound: <missing>
formula_title: <missing>
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alpha: 90
beta: 90
gamma: 90
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pub_title:
 Structural basis for the anomalous low-temperature thermal expansion
 behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10
 Sample: T = 5 K

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pub_title:
 Structural basis for the anomalous low-temperature thermal expansion
 behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10
 Sample: T = 25 K

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pub_title:
 Structural basis for the anomalous low-temperature thermal expansion
 behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10
 Sample: T = 50 K

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pub_title:
 Structural basis for the anomalous low-temperature thermal expansion
 behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10
 Sample: T = 100 K

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pub_title:
 Structural basis for the anomalous low-temperature thermal expansion
 behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10
 Sample: T = 150 K

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pub_title:
 Structural basis for the anomalous low-temperature thermal expansion
 behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10
 Sample: T = 200 K

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formula_title: <missing>
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beta: 90
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pub_title:
 Structural basis for the anomalous low-temperature thermal expansion
 behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10
 Sample: T = 250 K

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compound: <missing>
formula_title: <missing>
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beta: 90
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pub_title:
 Structural basis for the anomalous low-temperature thermal expansion
 behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10
 Sample: T = 300 K

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formula: Na1.33 Ti Si2 O9.57 H5.14
compound: <missing>
formula_title: <missing>
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b: 14.134
c: 7.118
alpha: 90
beta: 90
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pub_title:
 Microporous titanosilicates - synthesis and structural characterization of
 a new orthorhombic-type labuntsovite

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formula: (Mg2.268 Fe.732) P2 O8
compound: Brattnevet, Larsemann Hills, Prydz Bay, East Antarctica
formula_title: <missing>
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b: 4.7583
c: 10.2566
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pub_title:
 Chopinite, [(Mg,Fe)3_](PO4)2, a new mineral isostructural with sarcopside,
 from a fluorapatite segregation in granulite-facies paragneiss, Larsemann Hills,
 Prydz Bay, East Antarctica

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formula: Ca2 Al2.75 Fe.125 Mg.125 Si3 O14
compound: Bertrix, Ardennes mountains, Belgium
pub_title: Pumpellyite-(Al), a new mineral from Bertrix, Belgian Ardennes
formula_title: <missing>
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b: 5.898
c: 19.126
alpha: 90
beta: 97.26
gamma: 90
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formula: (Se15.3 S1.7) Bi21.68 Te6.32
compound: Vihorlat Mountains, eastern Slovakia
pub_title: Vihorlatite, Bi24Se17Te4, a new mineral of the tetradymite group from Vihorlat Mts, Slovakia
formula_title: <missing>
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c: 86.93
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atoms_x:

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formula: Hg3 Pb16.08 Sb17.92 S46
compound: Buca della Vena mine, Apuan Alps, Tuscany, Italy
formula_title: <missing>
a: 48.32
b: 4.1170
c: 24.056
alpha: 90
beta: 118.84
gamma: 90
cell_volume: 4191.993
crystal_density: 6.013
pub_title:
 Lead-antimony sulfosalts from Tuscany (Italy). IX. Marrucciite,
 Hg3Pb16Sb18S46,a new sulfosalt from Buca della Vena mine, Apuan Alps:
 definition and crystal structure

atoms_sites:
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formula: K Fe3 As4 O16 H2
compound: <missing>
formula_title: KFe3(AsO4)2(HAsO4)2
a: 18.975
b: 6.5850
c: 10.955
alpha: 90
beta: 100.42
gamma: 90
cell_volume: 1346.257
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atoms_sites: ["K", "Fe1", "Fe2", "As1", "As2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "H"]
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pub_title:
 Two new structure types: KFe3(AsO4)2(HAsO4)2 and K(H2O)M3+(H1.5AsO4)2(H2AsO4)
 (M3+ = Fe, Ga, In) - synthesis, crystal structure and spectroscopy

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cell_volume: 564.171
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atoms_sites: ["K", "O7", "Fe", "As1", "As2", "O1", "O2", "O3", "O4", "O5", "O6", "H1", "H2", "H3", "H4"]
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pub_title:
 Two new structure types: KFe3(AsO4)2(HAsO4)2 and K(H2O)M3+(H1.5AsO4)2(H2AsO4)
 (M3+ = Fe, Ga, In) - synthesis, crystal structure and spectroscopy

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formula: K O13 Ga As3 H7
compound: <missing>
formula_title: K(H2O)Ga(H1.5AsO4)2(H2AsO4)
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b: 8.696
c: 13.772
alpha: 90
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gamma: 90
cell_volume: 553.935
crystal_density: 3.289
atoms_sites: ["K", "O7", "Ga", "As1", "As2", "O1", "O2", "O3", "O4", "O5", "O6", "H1", "H2", "H3", "H4"]
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pub_title:
 Two new structure types: KFe3(AsO4)2(HAsO4)2 and K(H2O)M3+(H1.5AsO4)2(H2AsO4)
 (M3+ = Fe, Ga, In) - synthesis, crystal structure and spectroscopy

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formula: K O13 In As3 H7
compound: <missing>
formula_title: K(H2O)In(H1.5AsO4)2(H2AsO4)
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cell_volume: 590.060
crystal_density: 3.342
atoms_sites: ["K", "O7", "In", "As1", "As2", "O1", "O2", "O3", "O4", "O5", "O6", "H1", "H2", "H3", "H4"]
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formula: Ca Bi F C O4
compound: Krupka, Czech Republic
pub_title: Revision of the crystal structure of kettnerite CaBi[OFCO3]
formula_title: <missing>
a: 5.3641
b: 5.3641
c: 13.5771
alpha: 90
beta: 90
gamma: 90
cell_volume: 390.662
crystal_density: 5.850
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formula: Ag1.5 Pb4.43 Sb6.07 S14
compound: Kutna Hora, central Bohemia, Czech Republic
formula_title: <missing>
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pub_title:
 Crystal structure of owyheeite, Ag1.5Pb4.43Sb6.07S14: refinement from powder
 synchrotron X-ray diffraction

atoms_sites:
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formula: Fe.705 Mg.499 Mn.008 Al.538 Cr1.222 Ni.004 Ti.016 V.008 O4
compound: Bushveld complex, South Africa
formula_title: <missing>
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pub_title:
 Crystal chemistry and structural refinement of chromites from different
 chromitite layers and xenoliths of the Bushveld complex
 Sample: BV21, LG

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pub_title:
 Crystal chemistry and structural refinement of chromites from different
 chromitite layers and xenoliths of the Bushveld complex
 Sample: BV21A, LG

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pub_title:
 Crystal chemistry and structural refinement of chromites from different
 chromitite layers and xenoliths of the Bushveld complex
 Sample: BV20, LG

atoms_sites:
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formula: Al.601 Fe.708 Mg.468 Mn.007 Cr1.186 Ni.004 Ti.016 V.01 O4
compound: Bushveld complex, South Africa
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pub_title:
 Crystal chemistry and structural refinement of chromites from different
 chromitite layers and xenoliths of the Bushveld complex
 Sample: BV20A, LG

atoms_sites:
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pub_title:
 Crystal chemistry and structural refinement of chromites from different
 chromitite layers and xenoliths of the Bushveld complex
 Sample: BV28, MG

atoms_sites:
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compound: Bushveld complex, South Africa
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pub_title:
 Crystal chemistry and structural refinement of chromites from different
 chromitite layers and xenoliths of the Bushveld complex
 Sample: BV28A, MG

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pub_title:
 Crystal chemistry and structural refinement of chromites from different
 chromitite layers and xenoliths of the Bushveld complex
 Sample: BV27, TW

atoms_sites:
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pub_title:
 Crystal chemistry and structural refinement of chromites from different
 chromitite layers and xenoliths of the Bushveld complex
 Sample: BV27A, TW

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pub_title:
 Crystal chemistry and structural refinement of chromites from different
 chromitite layers and xenoliths of the Bushveld complex
 Sample: BV34, UG1

atoms_sites:
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pub_title:
 Crystal chemistry and structural refinement of chromites from different
 chromitite layers and xenoliths of the Bushveld complex
 Sample: BV34A, UG1

atoms_sites:
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pub_title:
 Crystal chemistry and structural refinement of chromites from different
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 Sample: BV29, UG2

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pub_title:
 Crystal chemistry and structural refinement of chromites from different
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 Sample: BV29A, UG2

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pub_title:
 Crystal chemistry and structural refinement of chromites from different
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 Sample: BV32, UG2

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pub_title:
 Crystal chemistry and structural refinement of chromites from different
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 Sample: BV32A, UG2

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pub_title:
 Crystal chemistry and structural refinement of chromites from different
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 Sample: BV31, UG3

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pub_title:
 Crystal chemistry and structural refinement of chromites from different
 chromitite layers and xenoliths of the Bushveld complex
 Sample: BV31A, UG3


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pub_title:
 Crystal chemistry and structural refinement of chromites from different
 chromitite layers and xenoliths of the Bushveld complex
 Sample: BV30, UG3B

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pub_title:
 Crystal chemistry and structural refinement of chromites from different
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 Sample: BV30A, UG3B

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pub_title:
 Crystal chemistry and structural refinement of chromites from different
 chromitite layers and xenoliths of the Bushveld complex
 Sample: MER, MR

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pub_title:
 Crystal chemistry and structural refinement of chromites from different
 chromitite layers and xenoliths of the Bushveld complex
 Sample: MER-A, MR

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pub_title:
 Crystal chemistry of synthetic Co- and Ni-analogues of natrochalcite - the
 shortest known hydrogen bonds among mineral-type compounds
 Part I: single-crystal X-ray structures
 Sample: T = 293 K

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pub_title:
 Crystal chemistry of synthetic Co- and Ni-analogues of natrochalcite - the
 shortest known hydrogen bonds among mineral-type compounds
 Part I: single-crystal X-ray structures
 Sample: T = 105 K

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pub_title:
 Crystal chemistry of synthetic Co- and Ni-analogues of natrochalcite - the
 shortest known hydrogen bonds among mineral-type compounds
 Part I: single-crystal X-ray structures
 Sample: T = 293 K

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pub_title:
 Crystal chemistry of synthetic Co- and Ni-analogues of natrochalcite - the
 shortest known hydrogen bonds among mineral-type compounds
 Part I: single-crystal X-ray structures
 Sample: T = 105 K

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pub_title:
 Crystal chemistry of synthetic Co- and Ni-analogues of natrochalcite - the
 shortest known hydrogen bonds among mineral-type compounds
 Part I: single-crystal X-ray structures
 Sample: T = 293 K

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formula: Fe2 C O5 H2
compound: Dronino meteorite, Dronino village, Kasimov district, Ryazan Oblast, Russia
pub_title: Chukanovite, Fe2(CO3)(OH)2, a new mineral from the weathered iron meteorite Dronino
formula_title: <missing>
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compound: <missing>
formula_title: <missing>
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pub_title:
 Behaviour of H2O and OH in lawsonite: a single-crystal neutron diffraction and
 Raman spectroscopic investigation
 Sample: T = 295 K

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formula: Ca1.65 Mn1.05 Fe.8 Al.75 V.35 Mg.3 Si2.6 O13 H3
compound: Cassagna mine, northern Apennines, Liguria, Italy
pub_title: Cassagnaite, a new, V-bearing silicate mineral from the Cassagna mine, northern Apennines, Italy
formula_title: <missing>
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formula: (K.65 Na.31 Ca.04) (Al1.04 Si2.96) O8
compound: Stromboli volcano, southern Italy
formula_title: <missing>
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 Al-Si order and spinodal decomposition texture of sanidine from igneous clasts of Stromboli
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formula: Si10.08 Al4.8 Fe.26 O30 Mg1.78 Mn.04 Ti.04 K.829 Na.104
compound: South Urals, Russia
formula_title: <missing>
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b: 10.0999
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pub_title:
 Pyrometamorphic osumilite: occurrence, paragenesis, and crystal structure as compared to cordierite

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compound: Mt. Yukspor, Khibina alkaline massif, Kola Peninsula, Russia
pub_title: Re-investigation of the crystal structure of magnesium astrophyllite
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formula: (Mn.65 Ca.35) Ce.914 Fe1.1 Al1.986 Si3 O13 H
compound: Shodoshima Island, Kagawa Prefecture, western Japan
formula_title: <missing>
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pub_title:
 Uedaite-(Ce), a new member of the epidote group with Mn at the A site, from
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formula: Zn2 Ca3 P2 C O14 H4
compound: near Rosh Pinah mine, Luderitz district, Karas region, Namibia, Africa
formula_title: <missing>
a: 19.045
b: 9.320
c: 6.525
alpha: 90
beta: 92.73
gamma: 90
cell_volume: 1156.869
crystal_density: 3.175
atoms_x: CGsKAAAAAAB4BQoA4N0KAAAAAADgMA0AEOcNADBpBwBI3AgAAAAAAOjKAQCgOQgAAAAAAOCrAAAAqgUAAAAAAEAfAAA=
atoms_y: GK4CAFh+JAAoeBQAq7AoACAzEQBAzS4AyJMhAPClIwBoqy0AuO4IAMipFQCYfAQAQOEzAADCMwBAAQUAgGU4AODwMwA=
atoms_z: ABkZAEBCDwC4bQcAcDEJAEBCDwBgfhIAIDYEANALEAAA2v3/QEIPAMCEBgBwnAcAoEQMAAAvDQDALQgAQEIPAEAHBAA=
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atoms_aniso_label: ["Zn", "Ca1", "Ca2", "P", "C", "O1p", "O2p", "O3p", "O4p", "O1c", "O2c", "O-h", "Ow1", "Ow2"]
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pub_title:
 Skorpionite, Ca3Zn2(PO4)2CO3(OH)2*H2O, a new mineral from Namibia: description
 and crystal structure

atoms_sites:
["Zn", "Ca1", "Ca2", "P", "C", "O1p", "O2p", "O3p", "O4p", "O1c", "O2c", "O-h", "Ow1", "Ow2", "Hh", "Hw1", "Hw2"]

qdat:
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formula: Pb Fe3 P2 O14 H7
compound: Grube Vereinigung, near Eisenbach, Taunus, Hesse, Germany
formula_title: <missing>
a: 5.309
b: 7.211
c: 7.349
alpha: 87.74
beta: 86.38
gamma: 71.40
cell_volume: 266.061
crystal_density: 4.167
atoms_sites: ["Pb", "Fe1", "Fe2", "Fe3", "P", "O1", "O2", "O3", "O4", "O-H5", "O-H6", "Wat7", "O-H7"]
atoms_x: gIQeAAAAAAAAAAAAgIQeAPARAwDAcgkAUDby/5CIDwDwNgEA4OsGAGACFgCAUej/gFHo/w==
atoms_y: gIQeAAAAAAAAAAAAgIQeAPCfFQCAqwsA8B4eAHBpHACQghAAIDwDAJAmMABQ/QcAUP0HAA==
atoms_z: gIQeAAAAAACAhB4AAAAAAECyDQBwRAUA4AULANBoDQAwdRkAoC0tADAFAgBgfCMAYHwjAA==
atoms_occupancy: AAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQCAhB4AgIQeAA==
atoms_u_iso: yMMAAKAJAQBgZwEAQOcAAKBUAQBASwEAcKcBAKA7AQDgpQEAsDABAEAyAQCggAIAoIACAA==
atoms_aniso_label: ["Pb", "Fe1", "Fe2", "Fe3", "P"]
atoms_aniso_u11: UMMAAFCqAADAOAIA0IQAAJDiAAA=
atoms_aniso_u22: sLMAANDiAQDgVAIAAMIBAACjAgA=
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atoms_aniso_u13: wPT//4A+AACAcAAAMBEAACCAAAA=
atoms_aniso_u23: QPz//3A2///wpv//AJz//5AH//8=
pub_title:
 Pattersonite, PbFe3(PO4)2(OH)4[(H2O)0.5(OH)0.5]2, a new supergene phosphate
 mineral: description and crystal structure

qdat:
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formula: Ba1.275 K.65 Na1.15 Ca.8 Sr.05 Fe3.91 Mn4.09 Ti3.585 Nb.285 Zr.05 Si8 O35.255 F2.745 H2
compound: massif Darai-Pioz, Tajikistan
formula_title: <missing>
a: 10.723
b: 13.826
c: 20.791
alpha: 90
beta: 95.00
gamma: 90
cell_volume: 3070.665
crystal_density: 3.790
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Surkhobite: revalidation and redefinition with the new formula,
 (Ba,K)2CaNa(Mn,Fe2+,Fe3+)8Ti4(Si2O7)4O4(F,OH,O)6

atoms_sites:
["Ba1", "KBa1", "Ba2", "KBa2", "K", "BaK", "Na1", "Na2", "Ca", "NaCa", "SrCa", "Fe1", "Fe2", "Fe3", "Mn,Fe1", "FeMn,Fe1", "Mn,Fe2", "FeMn,Fe2", "Mn1", "Mn2", "Mn3", "Ti1", "Ti2", "Ti3", "NbTi3", "ZrTi3", "Ti4", "NbTi4", "ZrTi4", "Si1", "Si2", "Si3", "Si4", "Si5", "Si6", "Si7", "Si8", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "O16", "O17", "O18", "O19", "O20", "O21", "O22", "O23", "O24", "O25", "O26", "O27", "O28", "O29", "O30", "O31", "O32", "O-H1", "O-H2", "O-H3", "F1", "OF1", "F2", "OF2", "F3", "OF3", "F4", "OF4"]

atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

atoms_u_iso:

qdat:
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formula: K Mg P O10 H12
compound: Lengenbach, Switzerland
pub_title: Struvite-(K), KMgPO4*6H2O, the potassium equivalent of struvite - a new mineral
formula_title: <missing>
a: 6.892
b: 6.166
c: 11.139
alpha: 90
beta: 90
gamma: 90
cell_volume: 473.364
crystal_density: 1.870
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atoms_occupancy: 0
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atoms_aniso_label: ["K", "Mg", "P", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
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atoms_sites:
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formula: K.811 Na.052 Al2.901 Fe.113 Mg1.986 Si12 O30
compound: Vesuvius volcano, Italy
formula_title: <missing>
a: 10.0946
b: 10.0946
c: 14.3311
alpha: 90
beta: 90
gamma: 120
cell_volume: 1264.702
crystal_density: 2.581
atoms_sites: ["KC", "NaB*", "AlT2", "FeT2", "FeA", "MgA", "SiT1", "O1", "O2", "O3"]
atoms_x: AAAAAKuwKACAhB4AgIQeAKuwKACrsCgAEJY2ACCHNQCIyi8AsHU0AA==
atoms_y: AAAAAFVYFAAAAAAAAAAAAFVYFABVWBQA0BsPAPBTEQDgIAQAmI4VAA==
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atoms_occupancy: 4H8xACDLAABgBTsAoAMCAGBtAACgmzwAAAk9AAAJPQAACT0AAAk9AA==
atoms_u_iso: 8OUBAECcAABAnAAAQJwAAMB2AADAdgAAeJEAANAzAQCQeAEAMNkAAA==
atoms_aniso_label: ["KC", "AlT2", "FeT2", "FeA", "MgA", "SiT1", "O1", "O2", "O3"]
atoms_aniso_u11: cNkBAPBVAADwVQAAYG0AAGBtAAAwjgAAsK0BAMCiAQBQ9QAA
atoms_aniso_u22: cNkBAMDaAADA2gAAYG0AAGBtAAAgmQAAwKIBACDLAACQyQAA
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atoms_aniso_u13: AAAAAAAAAAAAAAAAAAAAAAAAAABg////AAAAADD4///AKwAA
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pub_title:
 Crystal chemical and structural characterization of an Mg-rich osumilite from
 Vesuvius volcano (Italy)

qdat:
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formula: Na.53 Ca.09 Al8.001 Li.9 Mn.09 Fe.009 B3.39 Si5.61 O31 H6.6
compound: Sahatany Pegmatite Field, Manjaka, Sahatany Valley, Madagascar
formula_title: <missing>
a: 15.777
b: 15.777
c: 7.086
alpha: 90
beta: 90
gamma: 120
cell_volume: 1527.498
crystal_density: 3.066
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Tetrahedrally coordinated boron in Al-rich tourmaline and its relationship
 to the pressure-temperature conditions of formation
 Note: O5 and O6 z-coordinates changed to match reported bond lengths

atoms_sites:
["NaX", "CaX", "AlY", "LiY", "MnY", "FeY", "AlZ", "BT", "SiT", "B", "O1", "O-H1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "H3"]

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formula: Al4.5 B.5 Si O9.5
compound: Mount Safford, central Australia
formula_title: <missing>
a: 5.7168
b: 15.023
c: 7.675
alpha: 90
beta: 90
gamma: 90
cell_volume: 659.156
crystal_density: 3.093
atoms_x: AIcPAAAAAACAhB4AgIQeAICEHgAAAAAAAAAAAAAAAAAAAAAAgIQeANCtDgDAvg0AgIQeAAAAAAAAAAAAAAAAAA==
atoms_y: wGUHAEAwEgAwbRIA4E4DALDcDgDA2gAAQDASAPD4AgCA3QsAkCMLAID+EgDAfQMAsPICAED//P8Q7hUA4GgHAA==
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atoms_occupancy: AAk9AICEHgCAhB4AAAk9AICEHgCAhB4AgIQeAICEHgAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AgIQeAA==
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atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Boromullite, Al9BSi2O19, a new mineral from granulite-facies metapelites, Mount
 Safford, central Australia: a natural analogue of a synthetic "boron-mullite"

atoms_sites:
["Al1", "Al2Al2", "Al3", "Al4", "Al6", "B5", "Si2Al2", "Si5", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8"]

qdat:
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formula: Mg8 B3.112 Si1.028 O16.026
compound: East Vekhoyan'ye region, northern Siberia
formula_title: <missing>
a: 20.494
b: 11.890
c: 4.5880
alpha: 90
beta: 90
gamma: 90
cell_volume: 1117.975
crystal_density: 3.050
atoms_aniso_label: ["Mg1", "Mg2", "Mg3", "Mg4", "Mg5", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O9", "O10"]
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atoms_aniso_u23: AAAAAKAPAACA8///MN///wAAAAAAAAAAIAMAAAAAAAAQJwAAAAAAAAAAAACg9v//YPD//wAAAAA=
pub_title:
 A new natural phase in the system Mg2SiO4-Mg2BO3F-Mg2BO3(OH): composition,
 paragenesis and structure of OH-dominant pertsevite

atoms_sites:
["Mg1", "Mg2", "Mg3", "Mg4", "Mg5", "B1", "B2", "B2A", "B3", "Si1", "Si2", "Si3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O8A", "O8B", "O9", "O10"]

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atoms_z:
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formula: Ca Al B3 O7
compound: Mogok district, Myanmar
pub_title: Johachidolite, CaAl[B3O7], a mineralogical and structural peculiarity
formula_title: <missing>
a: 7.967
b: 11.723
c: 4.3718
alpha: 90
beta: 90
gamma: 90
cell_volume: 408.314
crystal_density: 3.440
atoms_sites: ["Ca", "Al", "B1", "B2", "O1", "O2", "O3"]
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atoms_occupancy: 0
atoms_u_iso: KH0AAHhBAAAgRAAA2EoAAJhdAAAQVAAAmEkAAA==
atoms_aniso_label: ["Ca", "Al", "B1", "B2", "O1", "O2", "O3"]
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qdat:
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formula: Ba.51 (V3.08 Cr1.12 Ti2.8) Si.978 O14.489
compound: Sludyanka complex, Southern Lake Baikal, Siberia, Russia
pub_title: Batisivite, the first silicate related to the derbylite-hemloite group
formula_title: <missing>
a: 7.5208
b: 7.6430
c: 9.5724
alpha: 110.204
beta: 103.338
gamma: 98.281
cell_volume: 487.140
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pub_title:
 The crystal-chemistry of aenigmatite revisited: electron microprobe data,
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pub_title: The crystal structure of sursassite from the Lienne Valley, Stavelot Massif, Belgium
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pub_title: Potassic-aluminotaramite from Sierra de los Filabres, Spain
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pub_title:
 Wakefieldite-(La), LaVO4, a new mineral species from the Glucksstern Mine,
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compound: Tartareu, Catalunya, Spain
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pub_title:
 Crystal structure refinement of Fe3+-rich aerinite
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formula: K.86 Na.08 Ba.04 Mg1.97 Fe.67 Al1.45 Mn.01 Ti.18 Si2.72 O11.88 F.12 H1.2
compound: Cava St.Antonio, Mt.Vulture, Italy
formula_title: <missing>
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pub_title:
 High-temperature treatment, hydrogen behaviour and cation
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pub_title:
 High-temperature treatment, hydrogen behaviour and cation
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 Note: Phlogopite-1M
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pub_title:
 High-temperature treatment, hydrogen behaviour and cation
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 High-temperature treatment, hydrogen behaviour and cation
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compound: Cava St.Antonio, Mt.Vulture, Italy
formula_title: <missing>
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b: 9.2301
c: 10.2241
alpha: 90
beta: 100.018
gamma: 90
cell_volume: 495.367
crystal_density: 2.980
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pub_title:
 High-temperature treatment, hydrogen behaviour and cation
 partitioning of a Fe-Ti bearing volcanic phlogopite by in situ neutron
 powder diffraction and FTIR spectroscopy
 Note: Phlogopite-1M
 Note: T = 298 K, X-Ray

atoms_sites:
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compound: <missing>
formula_title: KNa3SrSi8O19*4.3H2O
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pub_title:
 Two new members of the rhodesite mero-plesiotype series
 close to delhayelite and hydrodelhayelite:
 synthesis and crystal structure
 Note: Sample TRO4
 Note: cell parameters, occupancy and positional parameters corrected by author

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compound: <missing>
formula_title: KNaCa2Si8O19*5H2O
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pub_title:
 Two new members of the rhodesite mero-plesiotype series
 close to delhayelite and hydrodelhayelite:
 synthesis and crystal structure
 Note: Sample TRO3

atoms_sites:
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formula: Rb3.61 Na.39 Zr2 Si6 O18.69 H1.38
compound: Kirovskii mine, Khibiny alkaline complex, Kola Peninsula, Russia
formula_title: <missing>
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beta: 90
gamma: 120
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pub_title:
 Crystal chemistry of Rb-, Sr-, Ba-, Ca- and Pb-exchanged forms of natural hilairite
 Note: sample was synthesized by cation exchange at 150 C

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compound: Kirovskii mine, Khibiny alkaline complex, Kola Peninsula, Russia
formula_title: <missing>
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pub_title:
 Crystal chemistry of Rb-, Sr-, Ba-, Ca- and Pb-exchanged forms of natural hilairite
 Note: sample was synthesized by cation exchange at 150 C

atoms_sites:
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formula: Ba.958 Zr Si3 O12 H6
compound: Kirovskii mine, Khibiny alkaline complex, Kola Peninsula, Russia
formula_title: <missing>
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pub_title:
 Crystal chemistry of Rb-, Sr-, Ba-, Ca- and Pb-exchanged forms of natural hilairite
 Note: sample was synthesized by cation exchange at 150 C

atoms_sites:
["Ba1", "Ba2", "Zr1", "Zr2", "Si1", "Si2", "Si3", "Si4", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "Wat1", "Wat2", "Wat3", "Wat4"]

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compound: Kirovskii mine, Khibiny alkaline complex, Kola Peninsula, Russia
formula_title: <missing>
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c: 7.995
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formula: Pb.821 Na.179 Zr Si3 O11.85 H5.7
compound: Kirovskii mine, Khibiny alkaline complex, Kola Peninsula, Russia
formula_title: <missing>
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formula: Na2.46 Ca.99 Sr1.71 Ba.33 Y.09 Ce.15 La.06 Nd.06 Pr.03 Th.09 C5 O15
compound: Cioclovina Cave sediments, Romania
pub_title: Authigenic burbankite in the Cioclovina Cave sediments (Romania)
formula_title: <missing>
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b: 10.514
c: 6.477
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gamma: 120
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formula: K U3 As O15 H6
compound: Menzenschwand, southern Black Forest, Germany
formula_title: <missing>
a: 8.193
b: 11.430
c: 13.500
alpha: 90
beta: 90
gamma: 90
cell_volume: 1264.221
crystal_density: 5.644
atoms_sites: ["K", "U1", "U2", "As", "O1", "O2", "O-H3", "O4", "Wat5", "O-H6a", "O-H6b"]
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pub_title:
 Nielsbohrite, a new potassium uranyl arsenate from the uranium deposit of
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 Thermal behaviour of chlorite: an in situ single-crystal
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pub_title:
 Spontaneous strain variations through the low-temperature displacive
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pub_title:
 Spontaneous strain variations through the low-temperature displacive
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 Note: T = 323 K

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pub_title:
 Spontaneous strain variations through the low-temperature displacive
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 Note: T = 343 K

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pub_title:
 Spontaneous strain variations through the low-temperature displacive
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 Note: T = 363 K

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pub_title:
 Spontaneous strain variations through the low-temperature displacive
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 Note: T = 383 K

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pub_title:
 Spontaneous strain variations through the low-temperature displacive
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 Note: T = 423 K

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pub_title:
 Spontaneous strain variations through the low-temperature displacive
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 Note: T = 473 K

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pub_title:
 Spontaneous strain variations through the low-temperature displacive
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pub_title:
 Spontaneous strain variations through the low-temperature displacive
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 Note: T = 673 K

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pub_title:
 Spontaneous strain variations through the low-temperature displacive
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pub_title:
 Spontaneous strain variations through the low-temperature displacive
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 Note: T = 873 K

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pub_title:
 Spontaneous strain variations through the low-temperature displacive
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pub_title:
 Spontaneous strain variations through the low-temperature displacive
 phase transition of LiGaSi2O6 clinopyroxene
 Note: T = 1073 K

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formula: (Ca.433 Sr.567) Si O3
compound: Synthetic
formula_title: <missing>
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alpha: 83.22
beta: 76.83
gamma: 70.33
cell_volume: 395.468
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pub_title:
 Crystal structure refinement of synthetic Ca0.43Sr0.57[SiO3]-walstromite
 and walstromite-fluid Ca-Sr distribution at upper-mantle conditions

atoms_sites:
["CaA1", "SrA1", "CaA2", "SrA2", "CaA3", "SrA3", "Si1", "Si2", "Si3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9"]

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formula: Ni11 As8
compound: modelled structure, not experimental
formula_title: <missing>
a: 9.718
b: 9.718
c: 11.177
alpha: 90
beta: 102.55
gamma: 90
cell_volume: 1030.330
crystal_density: 8.026
atoms_sites: ["Ni1", "Ni2", "Ni3", "Ni4", "Ni5", "Ni6", "As1", "As2", "As3", "As4", "As5"]
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 OD (order-disorder) character of the crystal structure of maucherite Ni8As11
 Note: maucherite-2M polytype

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formula: Ni4.5 S4
compound: modelled structure, not experimental
pub_title: OD (order-disorder) character of the crystal structure of godlevskite Ni9S8
formula_title: <missing>
a: 9.38
b: 9.38
c: 22.44
alpha: 90
beta: 90
gamma: 90
cell_volume: 1974.370
crystal_density: 5.280
atoms_sites: ["Ni1", "Ni2", "Ni4", "Ni5", "Ni7", "Ni8", "S1", "S1A", "S3", "S4"]
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formula: Fe12.64 Mg.4 Mn2.52 Zr.16 Na2.68 Ti8 Si16 Ba2.32 K1.44 Ca1.6 O73.28 F2.72 H9.28
compound: Norra Karr, Tonkoping province, Sweden
formula_title: <missing>
a: 10.6785
b: 13.786
c: 20.700
alpha: 90
beta: 94.937
gamma: 90
cell_volume: 3036.020
crystal_density: 3.758
pub_title:
 From structure topology to chemical composition. VII. Titanium silicates:
 the crystal structure and crystal chemistry of jinshajiangite

atoms_sites:
["FeMO(1)", "FeMO(2)", "MgMO(2)", "FeMO(3)", "MgMO(3)", "FeMO(4)", "MnMO(4)", "FeMO(5)", "MnMO(5)", "ZrMO(5)", "NaMO(5)", "TiMH(1)", "TiMH(2)", "TiMH(3)", "Si(1)", "Si(2)", "Si(3)", "Si(4)", "BaAP(1)", "BaAP(2)", "KAP(2)", "KAP(3)", "BaAP(3)", "NaBP(1)", "CaBP(1)", "NaBP(2)", "CaBP(2)", "NaBP(3)", "CaBP(3)", "O(1)", "O(2)", "O(3)", "O(4)", "O(5)", "O(6)", "O(7)", "O(8)", "O(9)", "O(10)", "O(11)", "O(12A)", "O(12B)", "O(13)", "O(14)", "O(15)", "O(16)", "O(17)", "O(18)", "O-HXOA1", "O-HXOA2", "O-HXOA3", "O-HXPM", "FXPM", "F"]

atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

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atoms_aniso_label:
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formula: V2.263 Ti.407 Cr.328 O5
compound: Pereval marble quarry, Sludyanka complex, south of Lake Baikal, Russia
formula_title: <missing>
a: 10.0299
b: 5.0505
c: 6.999
alpha: 90
beta: 111.13
gamma: 90
cell_volume: 330.704
crystal_density: 4.656
atoms_sites: ["V4+1", "Ti4+1", "V3+2", "Cr3+2", "O1", "O2", "O3"]
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pub_title:
 X-ray structural investigation of the oxyvanite (V3O5) - berdesinskiite (V2TiO5)
 series: V4+ substituting for octahedrally coordinated Ti4+
 Sample: Crystal I-2-7

qdat:
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formula: V2.122 Ti.54 Cr.326 Fe.012 O5
compound: Pereval marble quarry, Sludyanka complex, south of Lake Baikal, Russia
formula_title: <missing>
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b: 5.0603
c: 7.0111
alpha: 90
beta: 110.845
gamma: 90
cell_volume: 333.371
crystal_density: 4.614
atoms_sites: ["V4+1", "Ti4+1", "V3+2", "Cr3+2", "Fe3+2", "O1", "O2", "O3"]
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pub_title:
 X-ray structural investigation of the oxyvanite (V3O5) - berdesinskiite (V2TiO5)
 series: V4+ substituting for octahedrally coordinated Ti4+
 Sample: Crystal II-7-21

qdat:
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formula: V1.622 Ti.758 Cr.61 Al.006 Mg.004 O5
compound: Pereval marble quarry, Sludyanka complex, south of Lake Baikal, Russia
formula_title: <missing>
a: 10.033
b: 5.039
c: 6.988
alpha: 90
beta: 111.50
gamma: 90
cell_volume: 328.705
crystal_density: 4.666
atoms_sites: ["V4+1", "Ti4+1", "V3+2", "Cr3+2", "Al2", "Mg2", "O1", "O2", "O3"]
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atoms_aniso_label: ["V4+1", "Ti4+1", "V3+2", "Cr3+2", "Al2", "Mg2", "O1", "O2", "O3"]
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pub_title:
 X-ray structural investigation of the oxyvanite (V3O5) - berdesinskiite (V2TiO5)
 series: V4+ substituting for octahedrally coordinated Ti4+
 Sample: III-7-22

qdat:
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formula: V1.622 Ti.758 Cr.61 Al.006 Mg.004 O5
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formula_title: <missing>
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b: 5.0393
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beta: 111.486
gamma: 90
cell_volume: 329.190
crystal_density: 4.659
atoms_sites: ["V4+1", "Ti4+1", "V3+2", "Cr3+2", "Al2", "Mg2", "O1", "O2", "O3"]
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atoms_aniso_label: ["V4+1", "Ti4+1", "V3+2", "Cr3+2", "Al2", "Mg2"]
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pub_title:
 X-ray structural investigation of the oxyvanite (V3O5) - berdesinskiite (V2TiO5)
 series: V4+ substituting for octahedrally coordinated Ti4+
 Sample: III-9-11

qdat:
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formula: Ca4.184 Na1.816 Si8 Be6 O32.21 H10.42
compound: Larvik plutonic complex, Oslo Region, Norway
formula_title: <missing>
a: 7.1222
b: 19.8378
c: 9.8071
alpha: 90
beta: 111.287
gamma: 90
cell_volume: 1291.096
crystal_density: 2.608
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Alflarsenite, a new beryllium-silicate zeolite from a syenitic pegmatite in the
 Larvik plutonic complex, Oslo Region, Norway

atoms_sites:
["Ca1", "Ca2", "Ca3", "Ca4", "Na1", "Na2", "Ca2", "Si1", "Si2", "Si3", "Si4", "Si5", "Si6", "Si7", "Si8", "Be1", "Be2", "Be3", "Be4", "Be5", "Be6", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "O16", "O17", "O18", "O19", "O20", "O21", "O22", "O23", "O24", "O25", "O26", "O-H27", "O-H28", "Wat1", "Wat2", "Wat3", "Wat4", "Wat5"]

atoms_x:

atoms_y:

atoms_z:

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qdat:
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formula: K2.929 Ca2 Na Al8 Si8 O44 H24
compound: Bellerberg, East Eifel volcanic are, Germany
formula_title: <missing>
a: 19.965
b: 14.274
c: 8.704
alpha: 88.37
beta: 125.08
gamma: 89.57
cell_volume: 2028.209
crystal_density: 2.270
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Florkeite, K3Ca2Na[Al8Si8O32]*12H2O, a new phillipsite-type zeolite
 from the Bellerberg, East Eifel volcanic are, Germany

atoms_sites:
["K1", "K2", "K3", "Ca1", "Ca2", "Na1", "AlT11a1", "AlT11a2", "AlT11b1", "AlT11b2", "SiT12a1", "SiT12a2", "SiT12b1", "SiT12b2", "SiT21a1", "SiT21a2", "SiT21b1", "SiT21b2", "AlT22a1", "AlT22a2", "AlT22b1", "AlT22b2", "O11a1", "O11a2", "O11b1", "O11b2", "O12a1", "O12a2", "O12b1", "O12b2", "O21a1", "O21a2", "O21b1", "O21b2", "O22a1", "O22a2", "O22b1", "O22b2", "O31a", "O31b", "O32a", "O32b", "O41a", "O41b", "O42a", "O42b", "O51a", "O51b", "O52a", "O52b", "O61a", "O61b", "O62a", "O62b", "Wat1", "Wat2", "Wat3A", "Wat3B", "Wat3C", "Wat3D", "Wat4A", "Wat4B", "Wat5A", "Wat5B", "Wat6", "Wat7"]

atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

atoms_u_iso:

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formula: Ca7 Si3 O13.76 F.24 H1.76
compound: in the high-temperature skarns in calcareous xenoliths in ignimbrites of
formula_title: <missing>
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b: 11.3955
c: 23.5571
alpha: 90
beta: 90
gamma: 90
cell_volume: 1360.908
crystal_density: 2.886
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pub_title:
 Chegemite Ca7(SiO4)3(OH)2 - a new humite-group mineral from the Northern Caucasus,
 Kabardino-Balkaria, Russia
 the Upper Chegem volcanic structure, Northern Caucasus, Kabardino-Balkaria, Russia

atoms_sites:
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formula: Na2.388 Ca1.246 K.366 Si3 Al3 O13.95 Cl S.15 C.45
compound: Monte Somma, Italy
formula_title: <missing>
a: 12.695
b: 12.695
c: 5.325
alpha: 90
beta: 90
gamma: 120
cell_volume: 743.217
crystal_density: 2.472
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pub_title:
 Balliranoite, (Na,K)6Ca2(Si6Al6O24)Cl2(CO3), a new cancrinite-group mineral
 from Monte Somma - Vesuvio volcanic complex, Italy

atoms_sites:
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formula: Ni.421 Fe.316 Ir.202 Pt.032 Co.008 Cu.006 Rh.006 Ru.004 Os.003
compound: Loma Peguera, Dominican Republic
formula_title: <missing>
a: 2.6939
b: 2.6939
c: 4.2732
alpha: 90
beta: 90
gamma: 120
cell_volume: 26.856
crystal_density: 11.114
atoms_sites: ["Ni", "Fe", "Ir", "Pt", "Co", "Cu", "Rh", "Ru", "Os"]
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pub_title:
 Garutiite, (Ni,Fe,Ir), a new hexagonal polymorph of native Ni from
 Loma Peguera, Dominican Republic

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formula: (Sc.5 Sn.2 Mn.18 Fe.07 Ti.05) (Ta.58 Nb.42) O4
compound: the Heftetjern pegmatite, Tordal, Norway
pub_title: Heftetjernite, a new scandium mineral from the Heftetjern pegmatite, Tordal, Norway
formula_title: <missing>
a: 4.784
b: 5.693
c: 5.120
alpha: 90
beta: 91.15
gamma: 90
cell_volume: 139.417
crystal_density: 6.441
atoms_sites: ["Sc", "Sn", "Mn", "Fe", "Ti", "Ta", "Nb", "O1", "O2"]
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formula: Si14.022 Al3.978 O36.64 Ca1.389 Na.189 K.014 Mg.008 H1.28
compound: <missing>
formula_title: <missing>
a: 13.62
b: 17.16
c: 16.68
alpha: 90
beta: 90
gamma: 90
cell_volume: 3898.436
crystal_density: 1.958
pub_title:
 Dynamics of dehydration in stilbite-type structures; stellerite phase B
 Sample: Stellerite phase B

atoms_sites:
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formula: Mg Si O3
compound: Synthetic
pub_title: Structure and crystal chemistry of perovskite-type MgSiO3 Sample: P = 1 bar, T = 25 C
formula_title: <missing>
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b: 4.933
c: 6.902
alpha: 90
beta: 90
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cell_volume: 162.747
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compound: <missing>
formula_title: <missing>
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b: 9.4253
c: 2.8452
alpha: 90
beta: 90
gamma: 90
cell_volume: 118.013
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atoms_occupancy: 0
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pub_title:
 Crystal structure refinement and electron density distribution in diaspore
 Sample: Neutral atom refinement

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formula: Al O2 H
compound: <missing>
formula_title: <missing>
a: 4.4007
b: 9.4253
c: 2.8452
alpha: 90
beta: 90
gamma: 90
cell_volume: 118.013
crystal_density: 3.376
atoms_sites: ["Al", "O1", "O2", "H"]
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pub_title:
 Crystal structure refinement and electron density distribution in diaspore
 Sample: Core/valence population and kappa refinement

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formula: Pb O2
compound: <missing>
formula_title: PbO2
a: 5.20
b: 5.20
c: 5.20
alpha: 90
beta: 90
gamma: 90
cell_volume: 140.608
crystal_density: 11.299
atoms_sites: ["Pb", "O"]
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pub_title:
 The high-pressure phase transformations of PbO2:
 an in-situ X-ray diffraction study
 Sample: P = 160 kbar, before laser heat, fluorite structure

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formula: Pb O2
compound: <missing>
formula_title: PbO2
a: 5.14
b: 5.14
c: 5.14
alpha: 90
beta: 90
gamma: 90
cell_volume: 135.797
crystal_density: 11.700
atoms_sites: ["Pb", "O"]
atoms_x: AAAAAEBCDwA=
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pub_title:
 The high-pressure phase transformations of PbO2:
 an in-situ X-ray diffraction study
 Sample: P = 160 kbar, after laser heat, fluorite structure

qdat:
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formula: Pb O2
compound: <missing>
formula_title: PbO2
a: 5.14
b: 5.14
c: 5.14
alpha: 90
beta: 90
gamma: 90
cell_volume: 135.797
crystal_density: 11.700
atoms_sites: ["Pb", "O"]
atoms_x: AAAAAEBCDwA=
atoms_y: AAAAAEBCDwA=
atoms_z: AAAAAEBCDwA=
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pub_title:
 The high-pressure phase transformations of PbO2:
 an in-situ X-ray diffraction study
 Sample: P = 240 kbar, before laser heat, fluorite structure

qdat:
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formula: Al O2 H
compound: from the Ural Mts., USSR, associated with anatase
formula_title: <missing>
a: 4.4036
b: 9.4286
c: 2.8459
alpha: 90
beta: 90
gamma: 90
cell_volume: 118.161
crystal_density: 3.372
atoms_sites: ["Al", "O1", "O-H2"]
atoms_x: cNMCAGB+KwAgnAwA
atoms_y: IDn3/5AdDACARQMA
atoms_z: wMYtAMDGLQDAxi0A
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atoms_aniso_u23: 0
pub_title:
 Structural investigations of polycrystalline diaspore samples
 by x-ray powder diffraction
 Note: sample #1

qdat:
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formula: Al O2 H
compound: from the Ural Mts., USSR, associated with anatase and rutile
formula_title: <missing>
a: 4.4035
b: 9.4269
c: 2.8454
alpha: 90
beta: 90
gamma: 90
cell_volume: 118.116
crystal_density: 3.373
atoms_sites: ["Al", "O1", "O-H2"]
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pub_title:
 Structural investigations of polycrystalline diaspore samples
 by x-ray powder diffraction
 Note: sample #2

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formula: Al O2 H
compound: from Viet-Nam, associated with hematite, ilmenite and chamosite
formula_title: <missing>
a: 4.4027
b: 9.4273
c: 2.8464
alpha: 90
beta: 90
gamma: 90
cell_volume: 118.141
crystal_density: 3.373
atoms_sites: ["Al", "O1", "O-H2"]
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pub_title:
 Structural investigations of polycrystalline diaspore samples
 by x-ray powder diffraction
 Note: sample #3

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formula: Al O2 H
compound: from Nezsa, Hungary, associated with kaolinite, anatase and goethite
formula_title: <missing>
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b: 9.4296
c: 2.8465
alpha: 90
beta: 90
gamma: 90
cell_volume: 118.217
crystal_density: 3.370
atoms_sites: ["Al", "O1", "O-H2"]
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pub_title:
 Structural investigations of polycrystalline diaspore samples
 by x-ray powder diffraction
 Note: sample #4

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formula: Mg Al2 O4
compound: <missing>
pub_title: Structure and lattice vibrations of Mg-Al spinel solid solution Sample: Stoichiometric MgO.Al2O3
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formula_title: <missing>
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beta: 90
gamma: 90
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pub_title:
 Structure and lattice vibrations of Mg-Al spinel solid solution
 Sample: Nonstoichiometric MgO.3Al2O3

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formula: Cu2 O
compound: <missing>
formula_title: <missing>
a: 4.2696
b: 4.2696
c: 4.2696
alpha: 90
beta: 90
gamma: 90
cell_volume: 77.833
crystal_density: 6.106
atoms_sites: ["Cu", "O"]
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pub_title:
 The electric field gradient at the position of copper in
 Cu2O and electronic charge density analysis by means of K-factors

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formula_title: Ni3(PO4)2
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b: 4.698
c: 5.831
alpha: 90
beta: 91.12
gamma: 90
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crystal_density: 4.391
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pub_title:
 Crystallographic studies of some olivine-related (Ni,Mg)3(PO4)2
 solid solutions
 Sample: Ni3(PO4)2

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formula: (Ni2.2 Mg.8) P2 O8
compound: <missing>
pub_title: Crystallographic studies of some olivine-related (Ni,Mg)3(PO4)2 solid solutions Sample: Ni/Mg-1a
formula_title: (Ni.73Mg.27)3(PO4)2
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formula: (Ni1.8 Mg1.2) P2 O8
compound: <missing>
pub_title: Crystallographic studies of some olivine-related (Ni,Mg)3(PO4)2 solid solutions Sample: Ni/Mg-2b
formula_title: (Ni.6Mg.4)3(PO4)2
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formula: (Ni1.36 Mg1.64) P2 O8
compound: <missing>
pub_title: Crystallographic studies of some olivine-related (Ni,Mg)3(PO4)2 solid solutions Sample: Ni/Mg-3c
formula_title: (Ni.45Mg.55)3(PO4)2
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formula: Mn2.17 Al2.83 Si3 O14 H3
compound: <missing>
formula_title: <missing>
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b: 5.79
c: 9.78
alpha: 90
beta: 108.9
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pub_title:
 X-ray and HRTEM study of sursassite: crystal structure,
 stacking disorder, and sursassite-pumpellyite intergrowth

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formula: Mg Si O3
compound: <missing>
pub_title: Polysynthetically-twinned structures of enstatite and wollastonite Sample: CLEN
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formula: Mg Si O3
compound: <missing>
pub_title: Polysynthetically-twinned structures of enstatite and wollastonite Sample: OREN
formula_title: <missing>
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b: 8.8128
c: 5.180
alpha: 90
beta: 90
gamma: 90
cell_volume: 831.977
crystal_density: 3.206
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formula: Ca Si O3
compound: <missing>
pub_title: Polysynthetically-twinned structures of enstatite and wollastonite Sample: WO1T
formula_title: <missing>
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b: 7.3202
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alpha: 90.055
beta: 95.217
gamma: 103.426
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atoms_sites:
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formula: Ca Si O3
compound: <missing>
pub_title: Polysynthetically-twinned structures of enstatite and wollastonite Sample: WO2M
formula_title: <missing>
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b: 7.324
c: 7.0692
alpha: 90
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formula: Ca Fe2.925 Mn.075 Si2 O9 H
compound: <missing>
formula_title: <missing>
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b: 8.7977
c: 5.8428
alpha: 90
beta: 90.234
gamma: 90
cell_volume: 669.413
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pub_title:
 A neutron powder diffraction study of the crystal and
 magnetic structures of ilvaite from 305 K to 5 K - a mixed
 valence iron silicate with an electronic transition
 Sample: T = 5 K

atoms_sites:
["Ca", "FeM11", "FeM12", "FeM2", "MnM2", "Si1", "Si2", "O1", "O21", "O22", "O5", "O6", "O3", "O41", "O42", "O7", "H"]

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formula: Ca (Fe2.825 Mn.175) Si2 O9 H
compound: <missing>
formula_title: <missing>
a: 13.0230
b: 8.7994
c: 5.8422
alpha: 90
beta: 90.231
gamma: 90
cell_volume: 669.479
crystal_density: 4.054
atoms_aniso_label: "<missing>"
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pub_title:
 A neutron powder diffraction study of the crystal and
 magnetic structures of ilvaite from 305 K to 5 K - a mixed
 valence iron silicate with an electronic transition
 Sample: T = 80 K

atoms_sites:
["Ca", "FeM11", "MnM11", "FeM12", "MnM12", "FeM2", "MnM2", "Si1", "Si2", "O1", "O21", "O22", "O5", "O6", "O3", "O41", "O42", "O7", "H"]

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qdat:
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formula: Ca (Fe2.8 Mn.2) Si2 O9 H
compound: <missing>
formula_title: <missing>
a: 13.0244
b: 8.8006
c: 5.8445
alpha: 90
beta: 90.233
gamma: 90
cell_volume: 669.906
crystal_density: 4.051
atoms_aniso_label: "<missing>"
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atoms_aniso_u23: 0
pub_title:
 A neutron powder diffraction study of the crystal and
 magnetic structures of ilvaite from 305 K to 5 K - a mixed
 valence iron silicate with an electronic transition
 Sample: T = 150 K

atoms_sites:
["Ca", "FeM11", "MnM11", "FeM12", "MnM12", "FeM2", "MnM2", "Si1", "Si2", "O1", "O21", "O22", "O5", "O6", "O3", "O41", "O42", "O7", "H"]

atoms_x:
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qdat:
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formula: Ca (Fe2.75 Mn.25) Si2 O9 H
compound: <missing>
formula_title: <missing>
a: 13.0207
b: 8.8121
c: 5.8609
alpha: 90
beta: 90.249
gamma: 90
cell_volume: 672.472
crystal_density: 4.035
atoms_aniso_label: "<missing>"
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atoms_aniso_u23: 0
pub_title:
 A neutron powder diffraction study of the crystal and
 magnetic structures of ilvaite from 305 K to 5 K - a mixed
 valence iron silicate with an electronic transition
 Sample: T = 305 K

atoms_sites:
["Ca", "FeM11", "MnM11", "FeM12", "MnM12", "FeM2", "MnM2", "Si1", "Si2", "O1", "O21", "O22", "O5", "O6", "O3", "O41", "O42", "O7", "H"]

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qdat:
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formula: O18 Al4 Si5 Mg1.91 Fe.09 Mn.01 Na.05 Ar.72
compound: <missing>
formula_title: <missing>
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b: 9.718
c: 9.355
alpha: 90
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gamma: 90
cell_volume: 1551.775
crystal_density: 2.646
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pub_title:
 Ar, N2, CO2 in the structural cavities of cordierite,
 an optical and X-ray single-crystal study
 Sample: White Well Ar

atoms_sites:
["O11", "O16", "O13", "O26", "O21", "O23", "AlT11", "SiT16", "SiT21", "SiT23", "AlT26", "MgM", "FeM", "MnM", "NaChO", "ArCh1/4"]

atoms_aniso_label:
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qdat:
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formula: O18 Al4 Si5 Mg1.91 Fe.09 Mn.01 Na.05 N1.2
compound: <missing>
formula_title: <missing>
a: 17.069
b: 9.722
c: 9.359
alpha: 90
beta: 90
gamma: 90
cell_volume: 1553.078
crystal_density: 2.593
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pub_title:
 Ar, N2, CO2 in the structural cavities of cordierite,
 an optical and X-ray single-crystal study
 Sample: White Well N2

atoms_sites:
["O11", "O16", "O13", "O26", "O21", "O23", "AlT11", "SiT16", "SiT21", "SiT23", "AlT26", "MgM", "FeM", "MnM", "NaCho", "NCh1/4a"]

atoms_aniso_label:
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qdat:
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formula: O18.9 Al4 Si5 Mg1.91 Fe.09 Mn.01 Na.05 C.45
compound: <missing>
formula_title: <missing>
a: 17.062
b: 9.722
c: 9.356
alpha: 90
beta: 90
gamma: 90
cell_volume: 1551.943
crystal_density: 2.608
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pub_title:
 Ar, N2, CO2 in the structural cavities of cordierite,
 an optical and X-ray single-crystal study
 Sample: White Well CO2

atoms_sites:
["O11", "O16", "O13", "O26", "O21", "O23", "AlT11", "SiT16", "SiT21", "SiT23", "AlT26", "MgM", "FeM", "MnM", "NaChO", "CCh1/4", "OCh1/4a"]

atoms_aniso_label:
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qdat:
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formula: O18.7 Al4 Si5 Mg2 Na.05
compound: <missing>
formula_title: <missing>
a: 17.066
b: 9.722
c: 9.345
alpha: 90
beta: 90
gamma: 90
cell_volume: 1550.482
crystal_density: 2.559
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pub_title:
 Ar, N2, CO2 in the structural cavities of cordierite,
 an optical and X-ray single-crystal study
 Sample: Ruby Island natural

atoms_sites:
["O11", "O16", "O13", "O26", "O21", "O23", "AlT11", "SiT16", "SiT21", "SiT23", "AlT26", "MgM", "NaChO", "OCh1/4", "OCh1/4a"]

atoms_aniso_label:
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qdat:
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formula: K2 Ca2 S3 O12
compound: <missing>
formula_title: K2Ca2(SO4)3
a: 10.4289
b: 10.4289
c: 10.4289
alpha: 90
beta: 90
gamma: 90
cell_volume: 1134.267
crystal_density: 2.615
atoms_sites: ["K1", "K2", "Ca1", "Ca2", "S1", "O1", "O2", "O3", "O4"]
atoms_x: 4MoxAIAsAwDQJRQAUOsjABDsDQDwRxMAACcGAOA+DgDALxAA
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Phase transitions in langbeinites I: Crystal chemistry
 and structures of K-double sulfates of the langbeinite
 type M2++K2(SO4)3, M++=Mg,Ni,Co,Zn,Ca
 Sample: K2Ca2(SO4)3, T = 260 C

qdat:
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formula: Be2 Si O4
compound: <missing>
formula_title: <missing>
a: 12.4704
b: 12.4704
c: 8.2504
alpha: 90
beta: 90
gamma: 120
cell_volume: 1111.134
crystal_density: 2.962
atoms_sites: ["Be1", "Be2", "Si", "O1", "O2", "O3", "O4"]
atoms_x: 0NgLANDYCwCw7gsAcMkMAIBcFAAQegcAEHoHAA==
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atoms_occupancy: 0
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atoms_aniso_label: ["Be1", "Be2", "Si", "O1", "O2", "O3", "O4"]
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pub_title:
 High-pressure crystal chemistry of phenakite (Be2SiO4)
 and bertrandite (Be4Si2O7(OH)2)
 Sample: P = 1 bar

qdat:
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formula: Be2 Si O4
compound: <missing>
formula_title: <missing>
a: 12.437
b: 12.437
c: 8.228
alpha: 90
beta: 90
gamma: 120
cell_volume: 1102.189
crystal_density: 2.986
atoms_sites: ["Be1", "Be2", "Si", "O1", "O2", "O3", "O4"]
atoms_x: kLkLADDiCwAw4gsAIM4MAEBWFAAwfQcAwGUHAA==
atoms_y: UMYMADD1DABA6gwA0GYFAEBWFAAgzgwAoMEMAA==
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atoms_occupancy: 0
atoms_u_iso: UKAAABi6AAC4dAAAeIwAACiqAACIkAAAWJgAAA==
atoms_aniso_label: "<missing>"
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atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 High-pressure crystal chemistry of phenakite (Be2SiO4)
 and bertrandite (Be4Si2O7(OH)2)
 Sample: P = 16 kbar

qdat:
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formula: Be2 Si O4
compound: <missing>
formula_title: <missing>
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b: 12.397
c: 8.207
alpha: 90
beta: 90
gamma: 120
cell_volume: 1092.316
crystal_density: 3.013
atoms_sites: ["Be1", "Be2", "Si", "O1", "O2", "O3", "O4"]
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atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 High-pressure crystal chemistry of phenakite (Be2SiO4)
 and bertrandite (Be4Si2O7(OH)2)
 Sample: P = 36 kbar

qdat:
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formula: Be2 Si O4
compound: <missing>
formula_title: <missing>
a: 12.370
b: 12.370
c: 8.188
alpha: 90
beta: 90
gamma: 120
cell_volume: 1085.045
crystal_density: 3.033
atoms_sites: ["Be1", "Be2", "Si", "O1", "O2", "O3", "O4"]
atoms_x: QL4LAMDKCwDg5gsAcMkMAGBZFACwcAcAgHgHAA==
atoms_y: AMsMABDyDABg7QwAgGsFAIBcFAAgzgwA4McMAA==
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pub_title:
 High-pressure crystal chemistry of phenakite (Be2SiO4)
 and bertrandite (Be4Si2O7(OH)2)
 Sample: P = 49.5 kbar

qdat:
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formula: Be4 Si2 O9 H2
compound: <missing>
formula_title: <missing>
a: 8.641
b: 15.051
c: 4.5338
alpha: 90
beta: 90
gamma: 90
cell_volume: 589.646
crystal_density: 2.684
atoms_sites: ["Be1", "Be2", "Si", "O1", "O2", "O3", "O4", "O-H1", "O-H2"]
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pub_title:
 High-pressure crystal chemistry of phenakite (Be2SiO4)
 and bertrandite (Be4Si2O7(OH)2)
 Sample: P = 23 kbar
 Note: x-coordinate of O2 altered

qdat:
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formula: Be4 Si2 O9 H2
compound: <missing>
formula_title: <missing>
a: 8.587
b: 14.912
c: 4.5901
alpha: 90
beta: 90
gamma: 90
cell_volume: 587.759
crystal_density: 2.692
atoms_sites: ["Be1", "Be2", "Si", "O1", "O2", "O3", "O4", "O-H1", "O-H2"]
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pub_title:
 High-pressure crystal chemistry of phenakite (Be2SiO4)
 and bertrandite (Be4Si2O7(OH)2)
 Sample: P = 41 kbar
 Note: y-coordinate of O3 altered

qdat:
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formula: Si O2
compound: <missing>
formula_title: <missing>
a: 4.1811
b: 4.1811
c: 2.6665
alpha: 90
beta: 90
gamma: 90
cell_volume: 46.615
crystal_density: 4.281
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pub_title:
 High temperature X-ray study of single crystal stishovite
 synthesized with Li2WO4 as flux
 Sample: T = 27 C

qdat:
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formula: Si O2
compound: <missing>
formula_title: <missing>
a: 4.1834
b: 4.1834
c: 2.6673
alpha: 90
beta: 90
gamma: 90
cell_volume: 46.680
crystal_density: 4.275
atoms_sites: ["Si", "O"]
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pub_title:
 High temperature X-ray study of single crystal stishovite
 synthesized with Li2WO4 as flux
 Sample: T = 100 C

qdat:
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formula: Si O2
compound: <missing>
formula_title: <missing>
a: 4.1865
b: 4.1865
c: 2.6684
alpha: 90
beta: 90
gamma: 90
cell_volume: 46.768
crystal_density: 4.267
atoms_sites: ["Si", "O"]
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pub_title:
 High temperature X-ray study of single crystal stishovite
 synthesized with Li2WO4 as flux
 Sample: T = 200 C

qdat:
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formula: Si O2
compound: <missing>
formula_title: <missing>
a: 4.1898
b: 4.1898
c: 2.6694
alpha: 90
beta: 90
gamma: 90
cell_volume: 46.860
crystal_density: 4.258
atoms_sites: ["Si", "O"]
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pub_title:
 High temperature X-ray study of single crystal stishovite
 synthesized with Li2WO4 as flux
 Sample: T = 300 C

qdat:
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formula: Si O2
compound: <missing>
formula_title: <missing>
a: 4.1929
b: 4.1929
c: 2.6704
alpha: 90
beta: 90
gamma: 90
cell_volume: 46.947
crystal_density: 4.250
atoms_sites: ["Si", "O"]
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pub_title:
 High temperature X-ray study of single crystal stishovite
 synthesized with Li2WO4 as flux
 Sample: T = 400 C

qdat:
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formula: Mg2 Al4 Si5 O18
compound: Zabargad island, Red Sea
formula_title: <missing>
a: 17.071
b: 9.715
c: 9.344
alpha: 90
beta: 90
gamma: 90
cell_volume: 1549.653
crystal_density: 2.507
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pub_title:
 Single crystal structure investigations under high-pressure of the
 mineral cordierite with an improved high-pressure cell
 Sample: P = 0.1 MPa

qdat:
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formula: Mg2 Al4 Si5 O18
compound: Zabargad island, Red Sea
formula_title: <missing>
a: 17.058
b: 9.724
c: 9.336
alpha: 90
beta: 90
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cell_volume: 1548.581
crystal_density: 2.509
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pub_title:
 Single crystal structure investigations under high-pressure of the
 mineral cordierite with an improved high-pressure cell
 Sample: P = 0.3 GPa

qdat:
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formula: Mg2 Al4 Si5 O18
compound: Zabargad island, Red Sea
formula_title: <missing>
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b: 9.702
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alpha: 90
beta: 90
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cell_volume: 1540.802
crystal_density: 2.522
atoms_sites: ["Mg", "Al11", "Si16", "Si21", "Al26", "Si23", "O11", "O16", "O13", "O21", "O26", "O23"]
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pub_title:
 Single crystal structure investigations under high-pressure of the
 mineral cordierite with an improved high-pressure cell
 Sample: P = 0.9 GPa

qdat:
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formula: Mg2 Al4 Si5 O18
compound: Zabargad island, Red Sea
formula_title: <missing>
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b: 9.680
c: 9.3035
alpha: 90
beta: 90
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crystal_density: 2.536
atoms_sites: ["Mg", "Al11", "Si16", "Si21", "Al26", "Si23", "O11", "O16", "O13", "O21", "O26", "O23"]
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pub_title:
 Single crystal structure investigations under high-pressure of the
 mineral cordierite with an improved high-pressure cell
 Sample: P = 1.2 GPa

qdat:
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formula: Mg2 Al4 Si5 O18
compound: Zabargad island, Red Sea
formula_title: <missing>
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alpha: 90
beta: 90
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cell_volume: 1528.357
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pub_title:
 Single crystal structure investigations under high-pressure of the
 mineral cordierite with an improved high-pressure cell
 Sample: P = 2.3 GPa

qdat:
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formula: Mg2 Al4 Si5 O18
compound: Zabargad island, Red Sea
formula_title: <missing>
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pub_title:
 Single crystal structure investigations under high-pressure of the
 mineral cordierite with an improved high-pressure cell
 Sample: P = 2.2 GPa

qdat:
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formula: Mg Al2 O4
compound: <missing>
formula_title: <missing>
a: 8.0898
b: 8.0898
c: 8.0898
alpha: 90
beta: 90
gamma: 90
cell_volume: 529.436
crystal_density: 3.570
atoms_sites: ["MgA", "AlB", "O"]
atoms_x: IKEHAICEHgAQEhAA
atoms_y: IKEHAICEHgAQEhAA
atoms_z: IKEHAICEHgAQEhAA
atoms_occupancy: 0
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atoms_aniso_u13: AAAAANj6///Y+v//
atoms_aniso_u23: AAAAANj6///Y+v//
pub_title:
 High-pressure crystal chemistry of spinel (MgAl2O4)
 and magnetite (Fe3O4): comparisons with silicate spinels
 Sample: P = 0.001 kbar


formula: Mg Al2 O4
compound: <missing>
formula_title: <missing>
a: 8.0776
b: 8.0776
c: 8.0776
alpha: 90
beta: 90
gamma: 90
cell_volume: 527.044
crystal_density: 3.586
atoms_sites: ["MgA", "AlB", "O"]
atoms_x: IKEHAICEHgAQEhAA
atoms_y: IKEHAICEHgAQEhAA
atoms_z: IKEHAICEHgAQEhAA
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atoms_aniso_u13: AAAAANj6//8AAAAA
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pub_title:
 High-pressure crystal chemistry of spinel (MgAl2O4)
 and magnetite (Fe3O4): comparisons with silicate spinels
 Sample: P = 10 kbar

qdat:
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formula: Mg Al2 O4
compound: <missing>
formula_title: <missing>
a: 8.0638
b: 8.0638
c: 8.0638
alpha: 90
beta: 90
gamma: 90
cell_volume: 524.348
crystal_density: 3.604
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pub_title:
 High-pressure crystal chemistry of spinel (MgAl2O4)
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 Sample: P = 20 kbar

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pub_title:
 High-pressure crystal chemistry of spinel (MgAl2O4)
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 Sample: P = 30 kbar

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formula: Mg Al2 O4
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pub_title:
 High-pressure crystal chemistry of spinel (MgAl2O4)
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 Sample: P = 40 kbar

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pub_title:
 High-pressure crystal chemistry of spinel (MgAl2O4)
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 Sample: P = 13 kbar

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formula: Fe3 O4
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pub_title:
 High-pressure crystal chemistry of spinel (MgAl2O4)
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 Sample: P = 26 kbar

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formula: Fe3 O4
compound: <missing>
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pub_title:
 High-pressure crystal chemistry of spinel (MgAl2O4)
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 Sample: P = 39 kbar

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formula: Fe3 O4
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atoms_sites: ["FeA", "FeB", "O"]
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pub_title:
 High-pressure crystal chemistry of spinel (MgAl2O4)
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 Sample: P = 45 kbar

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formula: Ni2 Si O4
compound: <missing>
formula_title: Ni2SiO4
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alpha: 90
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atoms_sites: ["Ni", "Si", "O"]
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pub_title:
 Crystal structures of Ni2SiO4 and Fe2SiO4 as a function of
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 Sample: T = 20 C

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formula: Ni2 Si O4
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pub_title:
 Crystal structures of Ni2SiO4 and Fe2SiO4 as a function of
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 Sample: T = 200 C

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formula: Ni2 Si O4
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pub_title:
 Crystal structures of Ni2SiO4 and Fe2SiO4 as a function of
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 Sample: T = 400 C

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formula: Ni2 Si O4
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pub_title:
 Crystal structures of Ni2SiO4 and Fe2SiO4 as a function of
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 Sample: T = 600 C

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pub_title:
 Crystal structures of Ni2SiO4 and Fe2SiO4 as a function of
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 Sample: T = 700 C

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pub_title:
 Crystal structures of Ni2SiO4 and Fe2SiO4 as a function of
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 Sample: T = 20 C

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formula: Fe2 Si O4
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pub_title:
 Crystal structures of Ni2SiO4 and Fe2SiO4 as a function of
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 Sample: T = 200 C

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pub_title:
 Crystal structures of Ni2SiO4 and Fe2SiO4 as a function of
 temperature and heating duration
 Sample: T = 400 C

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formula: Fe2 Si O4
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pub_title:
 Crystal structures of Ni2SiO4 and Fe2SiO4 as a function of
 temperature and heating duration
 Sample: T = 600 C

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formula: Fe2 Si O4
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pub_title:
 Crystal structures of Ni2SiO4 and Fe2SiO4 as a function of
 temperature and heating duration
 Sample: T = 700 C

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formula: Ni2 Si O4
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pub_title:
 Crystal structures of Ni2SiO4 and Fe2SiO4 as a function of
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 Sample: Duration time: 0-3 h

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formula: Ni2 Si O4
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crystal_density: 5.256
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pub_title:
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 Sample: Duration time: 4-7 h

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pub_title:
 Crystal structures of Ni2SiO4 and Fe2SiO4 as a function of
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 Sample: Duration time: 8-11 h

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pub_title:
 Crystal structures of Ni2SiO4 and Fe2SiO4 as a function of
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 Sample: Duration time: 26-29 h

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pub_title:
 Crystal structures of Ni2SiO4 and Fe2SiO4 as a function of
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 Sample: Duration time: 48-51 h

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pub_title:
 Crystal structures of Ni2SiO4 and Fe2SiO4 as a function of
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 Sample: Duration time: quenched

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formula: Zr O2
compound: <missing>
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c: 5.281
alpha: 90
beta: 99.01
gamma: 90
cell_volume: 139.294
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pub_title:
 In situ determination of crystal structure for high pressure
 phase of ZrO2 using a diamond anvil and single crystal X-ray
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 Sample: P = 15 kbar

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pub_title:
 In situ determination of crystal structure for high pressure
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 Sample: P = 39 kbar, post baddeleyite structure

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formula: Zr O2
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pub_title:
 In situ determination of crystal structure for high pressure
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 Sample: P = 51 kbar, post baddeleyite structure

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formula: Fe3 O4
compound: <missing>
pub_title: Crystal structure of magnetite under pressure Sample: P = 0.0001 GPa
formula_title: <missing>
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formula: Fe3 O4
compound: <missing>
pub_title: Crystal structure of magnetite under pressure Sample: P = 1.55 GPa
formula_title: <missing>
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formula: Fe3 O4
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pub_title: Crystal structure of magnetite under pressure Sample: P = 2.76 GPa
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pub_title:
 Crystal field spectra and Jahn Teller effect of Mn3+
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 Note: variety blanfordite

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pub_title:
 Crystal field spectra and Jahn Teller effect of Mn3+
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pub_title:
 Crystal field spectra and Jahn Teller effect of Mn3+
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 Note: designated as juddite in the paper

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formula: Al2 Be O4
compound: <missing>
formula_title: <missing>
a: 4.428
b: 9.415
c: 5.481
alpha: 90
beta: 90
gamma: 90
cell_volume: 228.501
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pub_title:
 High-pressure crystal chemistry of chrysoberyl, Al2BeO4:
 insights on the origin of olivine elastic anisotropy
 Sample: P = 1 bar

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formula: Al2 Be O4
compound: <missing>
formula_title: <missing>
a: 4.421
b: 9.399
c: 5.471
alpha: 90
beta: 90
gamma: 90
cell_volume: 227.336
crystal_density: 3.710
atoms_sites: ["Al1", "Al2", "Be", "O1", "O2", "O3"]
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pub_title:
 High-pressure crystal chemistry of chrysoberyl, Al2BeO4:
 insights on the origin of olivine elastic anisotropy
 Sample: P = 1.4 GPa

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formula: Al2 Be O4
compound: <missing>
formula_title: <missing>
a: 4.413
b: 9.373
c: 5.458
alpha: 90
beta: 90
gamma: 90
cell_volume: 225.760
crystal_density: 3.736
atoms_sites: ["Al1", "Al2", "Be", "O1", "O2", "O3"]
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pub_title:
 High-pressure crystal chemistry of chrysoberyl, Al2BeO4:
 insights on the origin of olivine elastic anisotropy
 Sample: P = 3.15 GPa

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formula: Al2 Be O4
compound: <missing>
formula_title: <missing>
a: 4.407
b: 9.366
c: 5.453
alpha: 90
beta: 90
gamma: 90
cell_volume: 225.078
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atoms_sites: ["Al1", "Al2", "Be", "O1", "O2", "O3"]
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pub_title:
 High-pressure crystal chemistry of chrysoberyl, Al2BeO4:
 insights on the origin of olivine elastic anisotropy
 Sample: P = 4.0 GPa

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formula: Al2 Be O4
compound: <missing>
formula_title: <missing>
a: 4.400
b: 9.343
c: 5.442
alpha: 90
beta: 90
gamma: 90
cell_volume: 223.716
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pub_title:
 High-pressure crystal chemistry of chrysoberyl, Al2BeO4:
 insights on the origin of olivine elastic anisotropy
 Sample: P = 5.4 GPa

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formula: Al2 Be O4
compound: <missing>
formula_title: <missing>
a: 4.398
b: 9.329
c: 5.436
alpha: 90
beta: 90
gamma: 90
cell_volume: 223.033
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pub_title:
 High-pressure crystal chemistry of chrysoberyl, Al2BeO4:
 insights on the origin of olivine elastic anisotropy
 Sample: P = 6.25 GPa

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formula: Si O2
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formula_title: <missing>
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alpha: 90
beta: 90
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pub_title:
 Exploration of structure and bonding in stishovite with Fourier and
 Pseudoaton Refinement methods using single crystal and powder
 X-ray diffraction data
 Sample: IAM

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formula: Si O2
compound: <missing>
formula_title: <missing>
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pub_title:
 Exploration of structure and bonding in stishovite with Fourier and
 Pseudoaton Refinement methods using single crystal and powder
 X-ray diffraction data
 Sample: ION

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formula: Si O2
compound: <missing>
formula_title: <missing>
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alpha: 90
beta: 90
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cell_volume: 46.513
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pub_title:
 Exploration of structure and bonding in stishovite with Fourier and
 Pseudoaton Refinement methods using single crystal and powder
 X-ray diffraction data
 Sample: IAM+

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formula: Si O2
compound: <missing>
formula_title: <missing>
a: 4.1773
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c: 2.6655
alpha: 90
beta: 90
gamma: 90
cell_volume: 46.513
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pub_title:
 Exploration of structure and bonding in stishovite with Fourier and
 Pseudoaton Refinement methods using single crystal and powder
 X-ray diffraction data
 Sample: ION+


formula: (Fe.19 Mg1.81) Si O4
compound: sample from San Carlos, Arizona
formula_title: <missing>
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b: 10.2269
c: 5.9952
alpha: 90
beta: 90
gamma: 90
cell_volume: 292.098
crystal_density: 3.336
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pub_title:
 Site occupancies of minor elements in synthetic olivines as
 determined by channeling-enhanced X-ray emission

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formula: Be2 Si O4
compound: <missing>
formula_title: <missing>
a: 12.4376
b: 12.4376
c: 8.2312
alpha: 90
beta: 90
gamma: 120
cell_volume: 1102.724
crystal_density: 2.984
atoms_sites: ["Be1", "Be2", "Si", "O1", "O2", "O3", "O4"]
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atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 High-temperature crystal chemistry of phenakite (Be2SiO4) and
 Chrysoberyl (BeAl2O4)
 Sample: T = 25 C

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formula: Be2 Si O4
compound: <missing>
formula_title: <missing>
a: 12.449
b: 12.449
c: 8.240
alpha: 90
beta: 90
gamma: 120
cell_volume: 1105.928
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pub_title:
 High-temperature crystal chemistry of phenakite (Be2SiO4) and
 Chrysoberyl (BeAl2O4)
 Sample: T = 270 C

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formula: Be2 Si O4
compound: <missing>
formula_title: <missing>
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b: 12.4647
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alpha: 90
beta: 90
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pub_title:
 High-temperature crystal chemistry of phenakite (Be2SiO4) and
 Chrysoberyl (BeAl2O4)
 Sample: T = 490 C

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formula: Be2 Si O4
compound: <missing>
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pub_title:
 High-temperature crystal chemistry of phenakite (Be2SiO4) and
 Chrysoberyl (BeAl2O4)
 Sample: T = 690 C

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formula: Al2 Be O4
compound: <missing>
formula_title: <missing>
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c: 5.471
alpha: 90
beta: 90
gamma: 90
cell_volume: 227.418
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pub_title:
 High-temperature crystal chemistry of phenakite (Be2SiO4) and
 Chrysoberyl (BeAl2O4)
 Sample: T = 25 C

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formula: Al2 Be O4
compound: <missing>
formula_title: <missing>
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b: 9.4063
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alpha: 90
beta: 90
gamma: 90
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pub_title:
 High-temperature crystal chemistry of phenakite (Be2SiO4) and
 Chrysoberyl (BeAl2O4)
 Sample: T = 270 C

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formula: Al2 Be O4
compound: <missing>
formula_title: <missing>
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b: 9.429
c: 5.492
alpha: 90
beta: 90
gamma: 90
cell_volume: 229.818
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atoms_sites: ["Al1", "Al2", "Be", "O1", "O2", "O3"]
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pub_title:
 High-temperature crystal chemistry of phenakite (Be2SiO4) and
 Chrysoberyl (BeAl2O4)
 Sample: T = 490 C

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formula: Al2 Be O4
compound: <missing>
formula_title: <missing>
a: 4.4457
b: 9.4491
c: 5.5011
alpha: 90
beta: 90
gamma: 90
cell_volume: 231.089
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pub_title:
 High-temperature crystal chemistry of phenakite (Be2SiO4) and
 Chrysoberyl (BeAl2O4)
 Sample: T = 690 C

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formula: Ca3 P2 O8
compound: <missing>
formula_title: <missing>
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b: 5.2487
c: 18.6735
alpha: 90
beta: 90
gamma: 120
cell_volume: 445.512
crystal_density: 3.468
atoms_sites: ["Ca1", "Ca2", "P", "O1", "O2"]
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pub_title:
 Structure and crystal chemistry of a dense polymorph of
 tricalcium phosphate Ca3(PO4)2: a host to accommodate
 large lithophile elements in the Earth's mantle

qdat:
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formula: Mn Ti O3
compound: <missing>
formula_title: <missing>
a: 5.205
b: 5.205
c: 13.700
alpha: 90
beta: 90
gamma: 120
cell_volume: 321.435
crystal_density: 4.675
atoms_sites: ["Mn", "Ti", "O"]
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pub_title:
 High-pressure phase transition in MnTiO3 from the ilmenite to the
 LiNbO3 structure
 Note: Represents the high pressure phase of pyrophanite
 Note: Sample synthesized at 60 kbar and 1300 C

qdat:
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formula: K2 Mn2 S3 O12
compound: Synthetic
pub_title: The magnetic structure of the langbeinite K2Mn2(SO4)3
formula_title: <missing>
a: 10.1073
b: 10.1073
c: 10.1073
alpha: 90
beta: 90
gamma: 90
cell_volume: 1032.537
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atoms_sites: ["K1", "K2", "Mn1", "Mn2", "S", "O1", "O2", "O3", "O4"]
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formula: K2 Mn2 S3 O12
compound: Synthetic
formula_title: <missing>
a: 10.0443
b: 10.0735
c: 10.0036
alpha: 90
beta: 90
gamma: 90
cell_volume: 1012.177
crystal_density: 3.125
atoms_occupancy: 0
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atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 The magnetic structure of the langbeinite K2Mn2(SO4)3
 Sample at T = 4.2 K
 Note, there is something wrong with this dataset.

atoms_sites:
["K1", "K2", "Mn1", "Mn2", "S1", "S2", "S3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12"]

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formula: Mg Si O3
compound: Synthetic
pub_title: Single crystal X-ray diffraction study of MgSiO3 perovskite from 77 to 400 K Sample: Crystal 1
formula_title: <missing>
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b: 4.9293
c: 6.9003
alpha: 90
beta: 90
gamma: 90
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crystal_density: 4.102
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formula: Mg Si O3
compound: Synthetic
pub_title: Single crystal X-ray diffraction study of MgSiO3 perovskite from 77 to 400 K Sample: Crystal 2
formula_title: <missing>
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alpha: 90
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formula: Fe3 Ca Si2 O9 H
compound: <missing>
formula_title: <missing>
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c: 5.8640
alpha: 90
beta: 90.266
gamma: 90
cell_volume: 674.391
crystal_density: 4.026
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pub_title:
 Phase transitions in ilvaite, a mixed-valence iron silicate
 II. A single-crystal X-ray diffraction study and Landau theory of the
 monoclinic to orthorhombic phase transition induced by charge delocalization
 Sample: T = 295 K

atoms_sites:
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atoms_aniso_label:
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formula: Fe3 Ca Si2 O9 H
compound: <missing>
formula_title: <missing>
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alpha: 90
beta: 90.244
gamma: 90
cell_volume: 674.595
crystal_density: 4.025
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pub_title:
 Phase transitions in ilvaite, a mixed-valence iron silicate
 II. A single-crystal X-ray diffraction study and Landau theory of the
 monoclinic to orthorhombic phase transition induced by charge delocalization
 Sample: T = 320 K

atoms_sites:
["FeAo", "FeAm", "FeB", "Ca", "Si1", "Si2", "O1", "O2o", "O2m", "O3", "O4o", "O4m", "O5", "O6", "O-H7"]

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formula: Fe3 Ca Si2 O9 H
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formula_title: <missing>
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pub_title:
 Phase transitions in ilvaite, a mixed-valence iron silicate
 II. A single-crystal X-ray diffraction study and Landau theory of the
 monoclinic to orthorhombic phase transition induced by charge delocalization
 Sample: T = 340 K

qdat:
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formula: Fe3 Ca Si2 O9 H
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pub_title:
 Phase transitions in ilvaite, a mixed-valence iron silicate
 II. A single-crystal X-ray diffraction study and Landau theory of the
 monoclinic to orthorhombic phase transition induced by charge delocalization
 Sample: T = 360 K

qdat:
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formula: Fe3 Ca Si2 O9 H
compound: <missing>
formula_title: <missing>
a: 13.05330
b: 8.83450
c: 5.86740
alpha: 90
beta: 90
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cell_volume: 676.625
crystal_density: 4.013
atoms_sites: ["FeAo", "FeB", "Ca", "Si1", "Si2", "O1", "O2o", "O3", "O4o", "O5", "O6", "O-H7"]
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pub_title:
 Phase transitions in ilvaite, a mixed-valence iron silicate
 II. A single-crystal X-ray diffraction study and Landau theory of the
 monoclinic to orthorhombic phase transition induced by charge delocalization
 Sample: T = 380 K

qdat:
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formula: Fe3 Ca Si2 O9 H
compound: <missing>
formula_title: <missing>
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b: 8.8344
c: 5.8692
alpha: 90
beta: 90
gamma: 90
cell_volume: 676.814
crystal_density: 4.012
atoms_sites: ["FeAo", "FeB", "Ca", "Si1", "Si2", "O1", "O2o", "O3", "O4o", "O5", "O6", "O-H7"]
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pub_title:
 Phase transitions in ilvaite, a mixed-valence iron silicate
 II. A single-crystal X-ray diffraction study and Landau theory of the
 monoclinic to orthorhombic phase transition induced by charge delocalization
 Sample: T = 400 K

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compound: <missing>
formula_title: K2Cd2(SO4)3
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pub_title:
 Structure of cobalt doped K2Cd2(SO4)3 langbeinite at
 three temperatures above the P2_13-P2_12_12_1 phase transition,
 and a new trigger mechanism for the ferroelastic transformation
 Sample: T = 440 K

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compound: <missing>
formula_title: K2Cd2(SO4)3
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pub_title:
 Structure of cobalt doped K2Cd2(SO4)3 langbeinite at
 three temperatures above the P2_13-P2_12_12_1 phase transition,
 and a new trigger mechanism for the ferroelastic transformation
 Sample: T = 540 K

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compound: <missing>
formula_title: K2Cd2(SO4)3
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pub_title:
 Structure of cobalt doped K2Cd2(SO4)3 langbeinite at
 three temperatures above the P2_13-P2_12_12_1 phase transition,
 and a new trigger mechanism for the ferroelastic transformation
 Sample: T = 640 K

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formula: Mn Ti O3
compound: <missing>
pub_title: A new phase transition in MnTiO3: LiNbO3-perovskite structure Sample: P = 4.5 GPa
formula_title: MnTiO3
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formula: Cd Ge O3
compound: <missing>
formula_title: CdGeO3
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b: 5.2608
c: 7.4263
alpha: 90
beta: 90
gamma: 90
cell_volume: 203.600
crystal_density: 7.602
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pub_title:
 CdGeO3-phase transformations at high pressure and temperature
 and structural refinement of the perovskite polymorph

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formula: Fe.992 Na.978 Si1.96 O6
compound: <missing>
pub_title: Magnetic order in acmite; NaFeSi2O6 Sample: T = 14 K
formula_title: <missing>
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formula: Sc Al O3
compound: <missing>
pub_title: The thermal expansion of ScAlO3 - a silicate perovskite analogue Sample: T = 10 C
formula_title: ScAlO3
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b: 5.2321
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formula: Sc Al O3
compound: <missing>
pub_title: The thermal expansion of ScAlO3 - a silicate perovskite analogue Sample: T = 500 C
formula_title: ScAlO3
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b: 5.2471
c: 7.2353
alpha: 90
beta: 90
gamma: 90
cell_volume: 188.292
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formula: Sc Al O3
compound: <missing>
pub_title: The thermal expansion of ScAlO3 - a silicate perovskite analogue Sample: T = 800 C
formula_title: ScAlO3
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formula: Sc Al O3
compound: <missing>
pub_title: The thermal expansion of ScAlO3 - a silicate perovskite analogue Sample: T = 1100 C
formula_title: ScAlO3
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formula: Co3 O4
compound: <missing>
formula_title: Co3O4
a: 8.0821
b: 8.0821
c: 8.0821
alpha: 90
beta: 90
gamma: 90
cell_volume: 527.925
crystal_density: 6.059
atoms_sites: ["Co", "Co", "O"]
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pub_title:
 High-temperature X-ray diffraction study of Co3O4:
 transition from normal to disordered spinel
 Sample: RUN I, T = 301 K

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formula: Co3 O4
compound: <missing>
formula_title: Co3O4
a: 8.0968
b: 8.0968
c: 8.0968
alpha: 90
beta: 90
gamma: 90
cell_volume: 530.811
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pub_title:
 High-temperature X-ray diffraction study of Co3O4:
 transition from normal to disordered spinel
 Sample: RUN I, T = 580 K

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formula: Co3 O4
compound: <missing>
formula_title: Co3O4
a: 8.1178
b: 8.1178
c: 8.1178
alpha: 90
beta: 90
gamma: 90
cell_volume: 534.952
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pub_title:
 High-temperature X-ray diffraction study of Co3O4:
 transition from normal to disordered spinel
 Sample: RUN I, T = 892 K


formula: Co3 O4
compound: <missing>
formula_title: Co3O4
a: 8.1289
b: 8.1289
c: 8.1289
alpha: 90
beta: 90
gamma: 90
cell_volume: 537.150
crystal_density: 5.955
atoms_sites: ["Co", "Co", "O"]
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pub_title:
 High-temperature X-ray diffraction study of Co3O4:
 transition from normal to disordered spinel
 Sample: RUN I, T = 995 K


formula: Co3 O4
compound: <missing>
formula_title: Co3O4
a: 8.1484
b: 8.1484
c: 8.1484
alpha: 90
beta: 90
gamma: 90
cell_volume: 541.025
crystal_density: 5.913
atoms_sites: ["Co", "Co", "O"]
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pub_title:
 High-temperature X-ray diffraction study of Co3O4:
 transition from normal to disordered spinel
 Sample: RUN I, T = 1098 K

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formula: Co3 O4
compound: <missing>
formula_title: Co3O4
a: 8.1637
b: 8.1637
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pub_title:
 High-temperature X-ray diffraction study of Co3O4:
 transition from normal to disordered spinel
 Sample: RUN I, T = 1144 K

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pub_title:
 High-temperature X-ray diffraction study of Co3O4:
 transition from normal to disordered spinel
 Sample: RUN I, T = 1170 K

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pub_title:
 High-temperature X-ray diffraction study of Co3O4:
 transition from normal to disordered spinel
 Sample: RUN I, T = 1185 K

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pub_title:
 High-temperature X-ray diffraction study of Co3O4:
 transition from normal to disordered spinel
 Sample: RUN I, T = 1201 K

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pub_title:
 High-temperature X-ray diffraction study of Co3O4:
 transition from normal to disordered spinel
 Sample: RUN II, T = 296 K


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pub_title:
 High-temperature X-ray diffraction study of Co3O4:
 transition from normal to disordered spinel
 Sample: RUN II, T = 773 K


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pub_title:
 High-temperature X-ray diffraction study of Co3O4:
 transition from normal to disordered spinel
 Sample: RUN II, T = 1073 K

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pub_title:
 High-temperature X-ray diffraction study of Co3O4:
 transition from normal to disordered spinel
 Sample: RUN II, T = 1123 K

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pub_title:
 High-temperature X-ray diffraction study of Co3O4:
 transition from normal to disordered spinel
 Sample: RUN II, T = 1190 K

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pub_title:
 Beta (Mg0.9Fe0.1)2SiO4: single crystal structure, cation
 distribution, and properties of coordination polyhedra

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pub_title:
 Temperature, composition, and fO2 effects on intersite
 distribution of Mg and Fe2+ in olivines
 Sample: 3149*

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pub_title:
 Temperature, composition, and fO2 effects on intersite
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 Sample: 3149b

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pub_title:
 Temperature, composition, and fO2 effects on intersite
 distribution of Mg and Fe2+ in olivines
 Sample: 3149c

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pub_title:
 Temperature, composition, and fO2 effects on intersite
 distribution of Mg and Fe2+ in olivines
 Sample: 3153*

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compound: <missing>
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pub_title:
 Temperature, composition, and fO2 effects on intersite
 distribution of Mg and Fe2+ in olivines
 Sample: 3153a

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pub_title:
 Temperature, composition, and fO2 effects on intersite
 distribution of Mg and Fe2+ in olivines
 Sample: 3153b

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pub_title:
 Temperature, composition, and fO2 effects on intersite
 distribution of Mg and Fe2+ in olivines
 Sample: 3153c

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pub_title:
 Temperature, composition, and fO2 effects on intersite
 distribution of Mg and Fe2+ in olivines
 Sample: CC37*

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pub_title:
 Temperature, composition, and fO2 effects on intersite
 distribution of Mg and Fe2+ in olivines
 Sample: CC37a

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pub_title:
 Temperature, composition, and fO2 effects on intersite
 distribution of Mg and Fe2+ in olivines
 Sample: CC37b

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pub_title:
 Temperature, composition, and fO2 effects on intersite
 distribution of Mg and Fe2+ in olivines
 Sample: CC37c

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pub_title:
 Temperature, composition, and fO2 effects on intersite
 distribution of Mg and Fe2+ in olivines
 Sample: 3263*

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pub_title:
 Temperature, composition, and fO2 effects on intersite
 distribution of Mg and Fe2+ in olivines
 Sample: 3263d

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compound: <missing>
formula_title: <missing>
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beta: 113.840
gamma: 90
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pub_title:
 Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5
 I. A high temperature X-ray diffraction study of the order parameter
 and transition mechanism
 Sample: T = 294 K

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pub_title:
 Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5
 I. A high temperature X-ray diffraction study of the order parameter
 and transition mechanism
 Sample: T = 350 K

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compound: <missing>
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pub_title:
 Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5
 I. A high temperature X-ray diffraction study of the order parameter
 and transition mechanism
 Sample: T = 400 K

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pub_title:
 Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5
 I. A high temperature X-ray diffraction study of the order parameter
 and transition mechanism
 Sample: T = 430 K

qdat:
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formula: Ca Ti Si O5
compound: <missing>
formula_title: <missing>
a: 7.0701
b: 8.7405
c: 6.5747
alpha: 90
beta: 113.773
gamma: 90
cell_volume: 371.818
crystal_density: 3.502
atoms_sites: ["Ca", "Ti", "Si", "O1", "O2A", "O2B", "O3A", "O3B"]
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atoms_aniso_u23: wP7//8gAAAAI8///OL7//7DX//+IVAAAgAcAAJAzAAA=
pub_title:
 Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5
 I. A high temperature X-ray diffraction study of the order parameter
 and transition mechanism
 Sample: T = 440 K

qdat:
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formula: Ca Ti Si O5
compound: <missing>
formula_title: <missing>
a: 7.0706
b: 8.7416
c: 6.5751
alpha: 90
beta: 113.768
gamma: 90
cell_volume: 371.928
crystal_density: 3.501
atoms_sites: ["Ca", "Ti", "Si", "O1", "O2A", "O2B", "O3A", "O3B"]
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pub_title:
 Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5
 I. A high temperature X-ray diffraction study of the order parameter
 and transition mechanism
 Sample: T = 450 K

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formula: Ca Ti Si O5
compound: <missing>
formula_title: <missing>
a: 7.0719
b: 8.7464
c: 6.5783
alpha: 90
beta: 113.751
gamma: 90
cell_volume: 372.430
crystal_density: 3.496
atoms_sites: ["Ca", "Ti", "Si", "O1", "O2A", "O3A"]
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pub_title:
 Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5
 I. A high temperature X-ray diffraction study of the order parameter
 and transition mechanism
 Sample: T = 500 K

qdat:
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formula: Ca Ti Si O5
compound: <missing>
formula_title: <missing>
a: 7.0730
b: 8.7508
c: 6.5824
alpha: 90
beta: 113.729
gamma: 90
cell_volume: 372.971
crystal_density: 3.491
atoms_sites: ["Ca", "Ti", "Si", "O1", "O2A", "O3A"]
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pub_title:
 Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5
 I. A high temperature X-ray diffraction study of the order parameter
 and transition mechanism
 Sample: T = 600 K

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formula: Ca Ti Si O5
compound: <missing>
formula_title: <missing>
a: 7.0726
b: 8.7558
c: 6.5859
alpha: 90
beta: 113.699
gamma: 90
cell_volume: 373.447
crystal_density: 3.487
atoms_sites: ["Ca", "Ti", "Si", "O1", "O2A", "O3A"]
atoms_x: QEIPAICEHgDAxi0AwMYtADCJNwCQWBcA
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atoms_u_iso: 0
atoms_aniso_label: ["Ca", "Ti", "Si", "O1", "O2A", "O3A"]
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pub_title:
 Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5
 I. A high temperature X-ray diffraction study of the order parameter
 and transition mechanism
 Sample: T = 700 K

qdat:
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formula: Mn S
compound: <missing>
pub_title: Static compression of alpha-MnS at 298 K to 21 GPa Sample: P = O GPa
formula_title: <missing>
a: 5.2245
b: 5.2245
c: 5.2245
alpha: 90
beta: 90
gamma: 90
cell_volume: 142.605
crystal_density: 4.052
atoms_sites: ["Mn", "S"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
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atoms_aniso_u23: 0
qdat:
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formula: Mn S
compound: <missing>
pub_title: Static compression of alpha-MnS at 298 K to 21 GPa Sample: Run #146, P = 1.80 GPa
formula_title: <missing>
a: 5.182
b: 5.182
c: 5.182
alpha: 90
beta: 90
gamma: 90
cell_volume: 139.153
crystal_density: 4.153
atoms_sites: ["Mn", "S"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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qdat:
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formula: Mn S
compound: <missing>
pub_title: Static compression of alpha-MnS at 298 K to 21 GPa Sample: Run #147, P = 3.01 GPa
formula_title: <missing>
a: 5.168
b: 5.168
c: 5.168
alpha: 90
beta: 90
gamma: 90
cell_volume: 138.028
crystal_density: 4.187
atoms_sites: ["Mn", "S"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Mn S
compound: <missing>
pub_title: Static compression of alpha-MnS at 298 K to 21 GPa Sample: Run #148, P = 3.25 GPa
formula_title: <missing>
a: 5.157
b: 5.157
c: 5.157
alpha: 90
beta: 90
gamma: 90
cell_volume: 137.149
crystal_density: 4.214
atoms_sites: ["Mn", "S"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Mn S
compound: <missing>
pub_title: Static compression of alpha-MnS at 298 K to 21 GPa Sample: Run #149, P = 3.57 GPa
formula_title: <missing>
a: 5.148
b: 5.148
c: 5.148
alpha: 90
beta: 90
gamma: 90
cell_volume: 136.432
crystal_density: 4.236
atoms_sites: ["Mn", "S"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Mn S
compound: <missing>
pub_title: Static compression of alpha-MnS at 298 K to 21 GPa Sample: Run #150, P = 5.81 GPa
formula_title: <missing>
a: 5.103
b: 5.103
c: 5.103
alpha: 90
beta: 90
gamma: 90
cell_volume: 132.885
crystal_density: 4.349
atoms_sites: ["Mn", "S"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Mn S
compound: <missing>
pub_title: Static compression of alpha-MnS at 298 K to 21 GPa Sample: Run #151, P = 7.19 GPa
formula_title: <missing>
a: 5.078
b: 5.078
c: 5.078
alpha: 90
beta: 90
gamma: 90
cell_volume: 130.942
crystal_density: 4.413
atoms_sites: ["Mn", "S"]
atoms_x: AAAAAICEHgA=
atoms_y: AAAAAICEHgA=
atoms_z: AAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAIAAAAAAAAAAAAEAAAAAAAAAAEAAAAAAAAAIAAAAAAAAgAAAAAAAAAAAAAACAAAAAABAAAAAAIAAAAABAAAAABAAAAACAAAAAIAAAAAAAAAAg==


