# cif

formula: Si2 Mg3 H6 O9
compound: <missing>
formula_title: <missing>
a: 5.3267
b: 5.3267
c: 7.2539
alpha: 90
beta: 90
gamma: 120
cell_volume: 178.246
crystal_density: 2.600
atoms_sites: ["Si", "Mg", "H3", "H4", "O1", "O2", "O3", "O4"]
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pub_title:
 Hydrogen positions and thermal expansion in lizardite-1T from Elba: A
 low-temperature study using Rietveld refinement of neutron diffraction data
 T = 8 K

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formula: Mg5 Ca2 Si8 O24 H2
compound: <missing>
formula_title: <missing>
a: 9.8293
b: 18.0307
c: 5.2752
alpha: 90
beta: 104.846
gamma: 90
cell_volume: 903.710
crystal_density: 2.985
atoms_sites: ["Mg1", "Mg2", "Mg3", "Ca4", "Ca4*", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "H"]
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pub_title:
 X-ray structure refinements of tremolite at 140 and 295 K: Crystal chemistry and
 petrologic implications
 T = 140 K

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formula: Mg5 Ca2 Si8 O24 H2
compound: <missing>
formula_title: <missing>
a: 9.8356
b: 18.0557
c: 5.2785
alpha: 90
beta: 104.782
gamma: 90
cell_volume: 906.377
crystal_density: 2.977
atoms_sites: ["Mg1", "Mg2", "Mg3", "Ca4", "Ca4*", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "H"]
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pub_title:
 X-ray structure refinements of tremolite at 140 and 295 K: Crystal chemistry and
 petrologic implications
 T = 295 K

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formula: Mn2 V1.62 As.38 O9 H4
compound: <missing>
formula_title: <missing>
a: 7.809
b: 14.554
c: 6.705
alpha: 90
beta: 93.27
gamma: 90
cell_volume: 760.797
crystal_density: 3.221
atoms_sites: ["Mn1", "Mn2", "V1", "V2", "As2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "Wat1", "Wat2"]
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pub_title:
 Description and crystal structure of fianelite, Mn2V(V,As)O7.2H2O, a new mineral
 from Fianel, Val Ferrera, Graubunden, Switzerland

qdat:
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formula: Pb3.5 Cl F6
compound: <missing>
pub_title: Laurelite: Its crystal structure and relationship to alpha-PbF2
formula_title: <missing>
a: 10.267
b: 10.267
c: 3.9844
alpha: 90
beta: 90
gamma: 120
cell_volume: 363.731
crystal_density: 7.986
atoms_sites: ["Pb1", "Pb1*", "Pb2", "Pb2*", "Pb3", "Pb3*", "Cl1", "Cl2", "F1", "F2", "F3", "F4"]
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formula: Pb.5 (Si Al) O4
compound: <missing>
pub_title: The structure of ordered and disordered lead feldspar (PbAl2Si2O8) Sample: disordered
formula_title: <missing>
a: 8.428
b: 13.054
c: 7.174
alpha: 90
beta: 115.32
gamma: 90
cell_volume: 713.454
crystal_density: 4.146
atoms_sites: ["Pb", "Si1", "Al1", "Si2", "Al2", "OA(l)", "OA(2)", "OB", "OC", "OD"]
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formula: Pb.5 Si2 Al2 O8
compound: <missing>
pub_title: The structure of ordered and disordered lead feldspar (PbAl2Si2O8) Sample: ordered
formula_title: <missing>
a: 8.388
b: 13.067
c: 14.327
alpha: 90
beta: 115.19
gamma: 90
cell_volume: 1420.989
crystal_density: 3.195
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atoms_aniso_label:
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qdat:
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formula: Sb2 Ni O18
compound: <missing>
formula_title: <missing>
a: 16.060
b: 16.060
c: 9.792
alpha: 90
beta: 90
gamma: 120
cell_volume: 2187.223
crystal_density: 2.688
atoms_occupancy: 0
atoms_u_iso: 0
pub_title:
 Bottinoite, Ni(H2O)6[Sb(OH)6]2: Crystal structure, twinning and hydrogen-bond
 model
 Sample: BS2, synthetic
 Note: U(1,2) for Sb1 and Sb3 changed to match symmetry constraints.

atoms_sites:
["Sb1", "Sb2", "Sb3", "Sb4", "Sb5", "Sb6", "Sb7", "Sb8", "Ni1", "Ni2", "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", "O33", "O34", "O35", "O36"]

atoms_x:

atoms_y:

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formula: Sb2 Ni O18
compound: Bottino mine, Apuan Alps, Italy
formula_title: <missing>
a: 16.045
b: 16.045
c: 9.784
alpha: 90
beta: 90
gamma: 120
cell_volume: 2181.356
crystal_density: 2.696
atoms_occupancy: 0
atoms_u_iso: 0
pub_title:
 Bottinoite, Ni(H2O)6[Sb(OH)6]2: Crystal structure, twinning and hydrogen-bond
 model
 Sample: BN1, natural
 Note: U(1,2) for Sb5 and Sb6 changed to match symmetry constraints.

atoms_sites:
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formula: Si5.95 Al2.05 O21 Sr.5 Ba.45 K.01 H10
compound: <missing>
formula_title: <missing>
a: 6.786
b: 17.517
c: 7.742
alpha: 89.85
beta: 94.07
gamma: 90.12
cell_volume: 917.969
crystal_density: 2.440
atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
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pub_title:
 Crystal structures of the {011}, {610}, and {010} growth sectors in brewsterite
 Sample: {011} sector

atoms_sites:
["SiTa", "AlTa", "SiTa*", "AlTa*", "SiTb", "AlTb", "SiTb*", "AlTb*", "SiTc", "AlTc", "SiTc*", "AlTc*", "SiTd", "AlTd", "SiTd*", "O1", "O1*", "O2", "O2*", "O3", "O3*", "O4", "O4*", "O5", "O5*", "O6", "O6*", "O7", "O7*", "O8", "O8*", "O9", "Sr", "Ba", "K", "Wat10", "Wat11", "Wat11*", "Wat12", "Wat13"]

atoms_x:

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formula: Si5.85 Al2.15 Sr.4 Ba.55 K.01 O21 H10
compound: <missing>
formula_title: <missing>
a: 6.779
b: 17.530
c: 7.750
alpha: 89.98
beta: 94.49
gamma: 90.13
cell_volume: 918.149
crystal_density: 2.457
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structures of the {011}, {610}, and {010} growth sectors in brewsterite
 Sample: {610} sector

atoms_sites:
["SiTa", "AlTa", "SiTa*", "AlTa*", "SiTb", "AlTb", "SiTb*", "AlTb*", "SiTc", "AlTc", "SiTc*", "AlTc*", "SiTd", "SiTd*", "Sr", "BaM", "KM", "O1", "O1*", "O2", "O2*", "O3", "O3*", "O4", "O4*", "O5", "O5*", "O6", "O6*", "O7", "O7*", "O8", "O8*", "O9", "Wat10", "Wat11", "Wat11*", "Wat12", "Wat13"]

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formula: (Si5.85 Al2.15) Sr.67 Ba.24 K.01 O21 H10
compound: <missing>
formula_title: <missing>
a: 6.785
b: 17.546
c: 7.740
alpha: 89.98
beta: 94.25
gamma: 90.06
cell_volume: 918.910
crystal_density: 2.387
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pub_title:
 Crystal structures of the {011}, {610}, and {010} growth sectors in brewsterite
 Sample: {010} sector

atoms_sites:
["SiTa", "AlTa", "SiTa*", "AlTa*", "SiTb", "AlTb", "SiTb*", "AlTb*", "SiTc", "AlTc", "SiTc*", "AlTc*", "SiTd", "AlTd", "SiTd*", "AlTd*", "Sr", "Ba", "K", "O1", "O1*", "O2", "O2*", "O3", "O3*", "O4", "O4*", "O5", "O5*", "O6", "O6*", "O7", "O7*", "O8", "O8*", "O9", "Wat10", "Wat11", "Wat11*", "Wat12", "Wat13"]

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atoms_occupancy:

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formula: (Ni Mg) Si O4
compound: <missing>
pub_title: Pressure-induced ordering in (Ni,Mg)2SiO4 olivine Sample: Room pressure, 23 C, (800 C quenched)
formula_title: <missing>
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b: 10.1682
c: 5.9401
alpha: 90
beta: 90
gamma: 90
cell_volume: 286.067
crystal_density: 4.065
atoms_sites: ["Ni1", "Mg1", "Ni2", "Mg2", "Si", "O1", "O2", "O3"]
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formula: (Ni Mg) Si O4
compound: <missing>
pub_title: Pressure-induced ordering in (Ni,Mg)2SiO4 olivine Sample: 4 GPa and 800 C, 40 min
formula_title: <missing>
a: 4.7325
b: 10.1454
c: 5.9313
alpha: 90
beta: 90
gamma: 90
cell_volume: 284.780
crystal_density: 4.083
atoms_sites: ["Ni1", "Mg1", "Ni2", "Mg2", "Si", "O1", "O2", "O3"]
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formula: (Ni Mg) Si O4
compound: <missing>
pub_title: Pressure-induced ordering in (Ni,Mg)2SiO4 olivine Sample: 4 GPa and 800 C, 63 min
formula_title: <missing>
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b: 10.1452
c: 5.9303
alpha: 90
beta: 90
gamma: 90
cell_volume: 284.757
crystal_density: 4.084
atoms_sites: ["Ni1", "Mg1", "Ni2", "Mg2", "Si", "O1", "O2", "O3"]
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formula: (Ni Mg) Si O4
compound: <missing>
pub_title: Pressure-induced ordering in (Ni,Mg)2SiO4 olivine Sample: 4 GPa and 800 C, 109 min
formula_title: <missing>
a: 4.7322
b: 10.1453
c: 5.9309
alpha: 90
beta: 90
gamma: 90
cell_volume: 284.740
crystal_density: 4.084
atoms_sites: ["Ni1", "Mg1", "Ni2", "Mg2", "Si", "O1", "O2", "O3"]
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qdat:
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formula: Ca Ti Si O5
compound: <missing>
formula_title: <missing>
a: 6.8912
b: 8.6234
c: 6.4065
alpha: 90
beta: 113.057
gamma: 90
cell_volume: 350.297
crystal_density: 3.717
atoms_sites: ["Ca", "Ti", "Si", "O1", "O2", "O3"]
atoms_x: QEIPAICEHgDAxi0AwMYtAEBGOAAA7RcA
atoms_y: ICsKAAAAAACAeQsAILkDAIBYBAAALw0A
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 High-pressure phase transition in titanite (CaTiOSiO4)
 Sample: at 6.95 GPa
 Note: this is a not titanite but instead is a high-pressure polymorph of Ca,
 transfomred by pressure acting on titanite

qdat:
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formula: K (Si2 Al) O6
compound: <missing>
formula_title: <missing>
a: 13.05476
b: 13.05476
c: 13.75182
alpha: 90
beta: 90
gamma: 90
cell_volume: 2343.678
crystal_density: 2.474
atoms_sites: ["K", "Si1", "Si2", "Si3", "Al1", "Al2", "Al3", "O1", "O2", "O3", "O4", "O5", "O6"]
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atoms_u_iso: 0
atoms_aniso_label: ["K", "Si1", "Si2", "Si3", "Al1", "Al2", "Al3", "O1", "O2", "O3", "O4", "O5", "O6"]
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pub_title:
 Structural behavior, crystal chemistry and phase transitions in substituted
 leucites: High-resolution neutron powder diffraction studies
 Sample: Natural, Expt. no. 3003, T = 298 K, KAlSi2O6

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formula: Rb (Si2 Al) O6
compound: <missing>
formula_title: <missing>
a: 13.29180
b: 13.29180
c: 13.74118
alpha: 90
beta: 90
gamma: 90
cell_volume: 2427.681
crystal_density: 2.896
atoms_sites: ["Rb", "Si1", "Si2", "Si3", "Al1", "Al2", "Al3", "O1", "O2", "O3", "O4", "O5", "O6"]
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atoms_u_iso: 0
atoms_aniso_label: ["Rb", "Si1", "Si2", "Si3", "Al1", "Al2", "Al3", "O1", "O2", "O3", "O4", "O5", "O6"]
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pub_title:
 Structural behavior, crystal chemistry and phase transitions in substituted
 leucites: High-resolution neutron powder diffraction studies
 Sample: Expt. no. 2830, T = 298 K, RbAlSi2O6

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formula: Cs (Si2 Al) O6
compound: <missing>
formula_title: <missing>
a: 13.6524
b: 13.6524
c: 13.7216
alpha: 90
beta: 90
gamma: 90
cell_volume: 2557.542
crystal_density: 3.242
atoms_sites: ["Cs", "Si1", "Si2", "Si3", "Al1", "Al2", "Al3", "O1", "O2", "O3", "O4", "O5", "O6"]
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pub_title:
 Structural behavior, crystal chemistry and phase transitions in substituted
 leucites: High-resolution neutron powder diffraction studies
 Sample: Expt. no. 2828, T = 298 K, CsAlSi2O6

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formula: K.9 Si2 O6
compound: <missing>
formula_title: <missing>
a: 13.20357
b: 13.20357
c: 13.95446
alpha: 90
beta: 90
gamma: 90
cell_volume: 2432.741
crystal_density: 2.046
atoms_sites: ["K", "Si1", "Si2", "Si3", "O1", "O2", "O3", "O4", "O5", "O6"]
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atoms_u_iso: 0
atoms_aniso_label: ["K", "Si1", "Si2", "Si3", "O1", "O2", "O3", "O4", "O5", "O6"]
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pub_title:
 Structural behavior, crystal chemistry and phase transitions in substituted
 leucites: High-resolution neutron powder diffraction studies
 Sample: Expt. no. 3757, T = 298 K, KFeSi2O6

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formula: Ca2 Si3 Al2.79 Fe.21 O13 H
compound: <missing>
formula_title: <missing>
a: 8.870
b: 5.592
c: 10.144
alpha: 90
beta: 115.4
gamma: 90
cell_volume: 454.516
crystal_density: 3.364
pub_title:
 The pressure behavior of clinozoisite and zoisite: An X-ray
 diffraction study
 Sample: at room pressure

atoms_sites:
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formula: Ca2 Si3 Al2.79 Fe.21 O13
compound: <missing>
formula_title: <missing>
a: 8.874
b: 5.593
c: 10.139
alpha: 90
beta: 115.4
gamma: 90
cell_volume: 454.578
crystal_density: 3.356
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:
 The pressure behavior of clinozoisite and zoisite: An X-ray
 diffraction study
 Sample: P = 0.5 kbar

atoms_sites:
["Ca1", "Ca2", "Si1", "Si2", "Si3", "Al1", "Al2", "Al3", "Fe3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10"]

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pub_title:
 The pressure behavior of clinozoisite and zoisite: An X-ray
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 Sample: P = 19.4 kbar

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pub_title:
 The pressure behavior of clinozoisite and zoisite: An X-ray
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 Sample: P = 42 kbar

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pub_title:
 The pressure behavior of clinozoisite and zoisite: An X-ray
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 Sample: P = .001 kbar, room conditions

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pub_title: Structure of synthetic Li2(Mg,Cu)Cu2[Si2O6]2: A unique chain silicate related to pyroxene
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pub_title:
 Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa
 Sample: at P = 0.0 GPa
 Note: cell parameters obtained by linear regression

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pub_title:
 Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa
 Sample: at P = 1.1 GPa
 Note: cell parameters obtained by linear regression

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pub_title:
 Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa
 Sample: at P = 2.1 GPa
 Note: cell parameters obtained by linear regression

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pub_title:
 Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa
 Sample: at P = 2.8 GPa
 Note: cell parameters obtained by linear regression

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pub_title:
 Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa
 Sample: at P = 3.6 GPa
 Note: cell parameters obtained by linear regression

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pub_title:
 Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa
 Sample: at P = 4.2 GPa
 Note: cell parameters obtained by linear regression

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pub_title:
 Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa
 Sample: at P = 4.6 GPa
 Note: cell parameters obtained by linear regression

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formula: Ca Fe Si2 O6
compound: <missing>
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pub_title:
 Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa
 Sample: at P = 5.3 GPa
 Note: cell parameters obtained by linear regression

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formula: Ca Fe Si2 O6
compound: <missing>
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pub_title:
 Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa
 Sample: at P = 6.3 GPa
 Note: cell parameters obtained by linear regression

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formula: Ca Fe Si2 O6
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crystal_density: 3.879
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pub_title:
 Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa
 Sample: at P = 7.6 GPa
 Note: cell parameters obtained by linear regression

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pub_title:
 Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa
 Sample: at P = 8.7 GPa
 Note: cell parameters obtained by linear regression

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pub_title:
 Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa
 Sample: at P = 9.9 GPa
 Note: cell parameters obtained by linear regression

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pub_title:
 Crystal structure of monoclinic hydrous wadsleyite [beta-(Mg,Fe)2SiO4]
 Note: occupancies of octahedral sites are estimates

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pub_title:
 Site occupancies in synthetic monoclinic amphiboles: Rietveld structure
 refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite
 Sample: Mg(100)

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pub_title:
 Site occupancies in synthetic monoclinic amphiboles: Rietveld structure
 refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite
 Sample: Ni20

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pub_title:
 Site occupancies in synthetic monoclinic amphiboles: Rietveld structure
 refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite
 Sample: Ni40

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pub_title:
 Site occupancies in synthetic monoclinic amphiboles: Rietveld structure
 refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite
 Sample: Ni60

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pub_title:
 Site occupancies in synthetic monoclinic amphiboles: Rietveld structure
 refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite
 Sample: Ni80

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pub_title:
 Site occupancies in synthetic monoclinic amphiboles: Rietveld structure
 refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite
 Sample: Ni100

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pub_title:
 Site occupancies in synthetic monoclinic amphiboles: Rietveld structure
 refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite
 Sample: Co20

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pub_title:
 Site occupancies in synthetic monoclinic amphiboles: Rietveld structure
 refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite
 Sample: Co40

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pub_title:
 Site occupancies in synthetic monoclinic amphiboles: Rietveld structure
 refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite
 Sample: Co60

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pub_title:
 Site occupancies in synthetic monoclinic amphiboles: Rietveld structure
 refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite
 Sample: Co80

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pub_title:
 Site occupancies in synthetic monoclinic amphiboles: Rietveld structure
 refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite
 Sample: Co100

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compound: <missing>
pub_title: Terranovaite from Antarctica: A new 'pentasil' zeolite
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formula: Si Al2 O5
compound: <missing>
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pub_title:
 High-pressure behavior of kyanite: Compressibility and structural deformation
 Sample: P = 0.001 kbar, in air

atoms_sites:
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formula: Si Al2 O5
compound: <missing>
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pub_title:
 High-pressure behavior of kyanite: Compressibility and structural deformation
 Sample: P = 0.1 kbar

atoms_sites:
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formula: Si Al2 O5
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pub_title:
 High-pressure behavior of kyanite: Compressibility and structural deformation
 Sample: P = 25.4 kbar

atoms_sites:
["Si1", "Si2", "Al1", "Al2", "Al3", "Al4", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10"]

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formula: Si Al2 O5
compound: <missing>
pub_title: High-pressure behavior of kyanite: Compressibility and structural deformation Sample: P = 37 kbar
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formula: Si Al2 O5
compound: <missing>
pub_title: High-pressure behavior of kyanite: Compressibility and structural deformation Sample: P = 47 kbar
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pub_title:
 Compressibility and crystal structure of kyanite, Al2SiO5, at high pressure
 Sample: at P = 0.0 GPa, in air

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formula: Al2 Si O5
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pub_title:
 Compressibility and crystal structure of kyanite, Al2SiO5, at high pressure
 Sample: at P = 1.35 GPa

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formula: Al2 Si O5
compound: <missing>
formula_title: <missing>
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pub_title:
 Compressibility and crystal structure of kyanite, Al2SiO5, at high pressure
 Sample: at P = 2.54 GPa

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formula: Al2 Si O5
compound: <missing>
formula_title: <missing>
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pub_title:
 Compressibility and crystal structure of kyanite, Al2SiO5, at high pressure
 Sample: at P = 3.73 GPa

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formula: Al2 Si O5
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formula_title: <missing>
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beta: 101.085
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pub_title:
 Compressibility and crystal structure of kyanite, Al2SiO5, at high pressure
 Sample: at P = 4.56 GPa

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pub_title: Rietveld refinement of Ca2TiSiO6 perovskite
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pub_title:
 Incorporation of rare earth elements in titanite: Stabilization of the A2/a
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 Sample: natural

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pub_title:
 Incorporation of rare earth elements in titanite: Stabilization of the A2/a
 dimorph by creation of antiphase boundaries
 Sample: La-Al

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pub_title:
 Incorporation of rare earth elements in titanite: Stabilization of the A2/a
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 Sample: Dy-Al

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pub_title:
 Incorporation of rare earth elements in titanite: Stabilization of the A2/a
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 Sample: Dy-Al

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formula: U Na O4
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pub_title: Clarkeite: New chemical and structural data
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compound: <missing>
formula_title: <missing>
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pub_title:
 Crystal chemistry of superfluorous phase B (Mg10Si3O14F4): Implications for the
 role of fluorine in the mantle

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pub_title: Crystal structure of the dense hydrous magnesium silicate, phase D
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formula: Mg C O3
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pub_title: The equation of state and high-pressure behaviour of magnesite Sample: at P = 0 GPa
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formula: Mg C O3
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formula: Mg C O3
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formula: Mg C O3
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formula: Ba Cr Si4 O10
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pub_title:
 The synthetic Cr2+ silicates BaCrSi4O10 and SrCrSi4O10: The missing links in
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 BaCrSi4O10

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pub_title:
 The synthetic Cr2+ silicates BaCrSi4O10 and SrCrSi4O10: The missing links in
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pub_title:
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pub_title:
 A Rietveld and infrared study of synthetic amphiboles along the
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pub_title:
 A Rietveld and infrared study of synthetic amphiboles along the
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 Sample: Kr80

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pub_title:
 A Rietveld and infrared study of synthetic amphiboles along the
 potassium-richterite-tremolite join
 Sample: Kr60

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pub_title:
 A Rietveld and infrared study of synthetic amphiboles along the
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 Sample: Kr40

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pub_title:
 A Rietveld and infrared study of synthetic amphiboles along the
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 Sample: Kr20
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formula: Ca3 Al2 Si3 O12
compound: <missing>
formula_title: <missing>
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beta: 90
gamma: 90
cell_volume: 1658.536
crystal_density: 3.608
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pub_title:
 Mn3Al2Si3O12 spessartine and Ca3Al2Si3O12 grossular garnet: Structural dynamics
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 Sample: at T = 100 K

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formula_title: <missing>
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pub_title:
 Mn3Al2Si3O12 spessartine and Ca3Al2Si3O12 grossular garnet: Structural dynamics
 and thermodynamic properties
 Sample: at T = 293 K

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pub_title:
 Mn3Al2Si3O12 spessartine and Ca3Al2Si3O12 grossular garnet: Structural dynamics
 and thermodynamic properties
 Sample: at T = 550 K

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pub_title:
 Mn3Al2Si3O12 spessartine and Ca3Al2Si3O12 grossular garnet: Structural dynamics
 and thermodynamic properties
 Sample: at T = 100 K

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pub_title:
 Mn3Al2Si3O12 spessartine and Ca3Al2Si3O12 grossular garnet: Structural dynamics
 and thermodynamic properties
 Sample: at T = 293 K

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formula: Ca3 Al2 Si3 O12
compound: <missing>
formula_title: <missing>
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pub_title:
 Mn3Al2Si3O12 spessartine and Ca3Al2Si3O12 grossular garnet: Structural dynamics
 and thermodynamic properties
 Sample: at T = 500 K

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formula: Sr.42 Pb.24 Ba.12 Y.3 U.3 Mn.12 La.12 Ce.06 Fe8.06 Ti12.66 O38
compound: <missing>
formula_title: <missing>
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b: 9.197
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pub_title:
 Dessauite, (Sr,Pb)(Y,U)(Ti,Fe)20O38, a new mineral of the crichtonite group
 from Buca della Vena mine, Tuscany, Italy

atoms_sites:
["Sr0", "Pb0", "Ba0", "Y1", "U1", "Mn1", "La1", "Ce1", "Fe2", "Fe3", "Ti3", "Ti4", "Ti5", "Fe6", "Fe7", "Fe8", "Fe9", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]

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formula: Ca Si2 O5
compound: <missing>
pub_title: Transformation of fivefold-coordinated silicon to octahedral silicon in calcium silicate, CaSi2O5
formula_title: <missing>
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formula: Ca Mn Si H O5
compound: <missing>
formula_title: <missing>
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alpha: 90
beta: 90
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pub_title:
 Orthorhombic Jahn-Teller distortion and Si-OH in mozartite, CaMnO[SiO3OH]: A
 single-crystal X-ray, FTIR, and structure modeling study
 Sample: at T = 100 K

qdat:
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formula: Ca Mn Si H O5
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pub_title:
 Orthorhombic Jahn-Teller distortion and Si-OH in mozartite, CaMnO[SiO3OH]: A
 single-crystal X-ray, FTIR, and structure modeling study
 Sample: at T = 300 K

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formula: Ca Mn Si H O5
compound: <missing>
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pub_title:
 Orthorhombic Jahn-Teller distortion and Si-OH in mozartite, CaMnO[SiO3OH]: A
 single-crystal X-ray, FTIR, and structure modeling study
 Sample: at T = 500 K

qdat:
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formula: Ca5 P3 O12 F
compound: <missing>
formula_title: <missing>
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alpha: 90
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pub_title:
 Site preference of rare earth elements in fluorapatite: Binary (LREE+HREE)-
 substituted crystals
 Sample: La,Gd-FAp

qdat:
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formula: Ca5 P3 O12 F
compound: <missing>
formula_title: <missing>
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alpha: 90
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pub_title:
 Site preference of rare earth elements in fluorapatite: Binary (LREE+HREE)-
 substituted crystals
 Sample: Ce,Dy-FAp

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formula: Ca5 P3 O12 F
compound: <missing>
formula_title: <missing>
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alpha: 90
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pub_title:
 Site preference of rare earth elements in fluorapatite: Binary (LREE+HREE)-
 substituted crystals
 Sample: Pr,Er-FAp

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formula: Ca5 P3 O12 F
compound: <missing>
formula_title: <missing>
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pub_title:
 Site preference of rare earth elements in fluorapatite: Binary (LREE+HREE)-
 substituted crystals
 Sample: Eu,Lu-FAp

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compound: <missing>
pub_title: Crystal structure refinement of aluminian lizardite-2H2
formula_title: <missing>
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cell_volume: 354.074
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formula_title: <missing>
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pub_title:
 Clintonite-1M: Crystal chemistry and its relationships to closely
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 Sample: Cli5a

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formula_title: <missing>
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pub_title:
 Clintonite-1M: Crystal chemistry and its relationships to closely
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 Sample: Cli7c

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pub_title:
 Clintonite-1M: Crystal chemistry and its relationships to closely
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 Sample: Cli8a

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compound: <missing>
formula_title: <missing>
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pub_title:
 Clintonite-1M: Crystal chemistry and its relationships to closely
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 Sample: Cli8d

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compound: <missing>
formula_title: <missing>
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alpha: 90
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pub_title:
 Clintonite-1M: Crystal chemistry and its relationships to closely
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 Sample: Cli9a

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formula_title: <missing>
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pub_title:
 Clintonite-1M: Crystal chemistry and its relationships to closely
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 Sample: Cli9b

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formula: Al4.99 Li.86 Si3.04 H8 O18
compound: <missing>
pub_title: Refinement of the cookeite "r" structure
formula_title: <missing>
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b: 8.940
c: 28.498
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beta: 96.6
gamma: 90
cell_volume: 1305.406
crystal_density: 2.656
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atoms_sites:
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atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

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compound: <missing>
formula_title: <missing>
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b: 8.319
c: 7.377
alpha: 90
beta: 90
gamma: 120
cell_volume: 442.133
crystal_density: 3.618
atoms_occupancy: 0
atoms_aniso_label: ["Zn1", "Zn11", "Zn2", "Zn21", "S", "Si", "O1", "O11", "O2", "O21", "O4", "O41", "O5", "O51"]
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pub_title:
 The acentric structure (P3) of bechererite, Zn7Cu(OH)13[SiO(OH)3SO4]
 Note U(1,2) for Zn2, Zn21, and O1 changed to match symmetry constraints.

atoms_sites:
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formula: U10 Pb2 O48 H33
compound: Shinkolobwe (Congo)
formula_title: <missing>
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beta: 90
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pub_title:
 A new uranyl oxide hydrate sheet in vandendriesscheite: Implications for mineral
 paragenesis and the corrosion of spent nuclear fuel

atoms_sites:
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formula: Na3 Ce2 C4 O12 F
compound: <missing>
formula_title: <missing>
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alpha: 90
beta: 90
gamma: 120
cell_volume: 506.236
crystal_density: 3.990
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atoms_aniso_label: ["Nal", "Na2", "Ce", "C1", "C2", "O1", "O2", "F"]
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pub_title:
 Lukechangite-(Ce), a new rare-earth-fluorocarbonate mineral from
 Mont Saint-Hilaire, Quebec
 Note: U(1,2) for Na1, O1, O2 and F changed to match symmetry constraints.
 Note: U(2,3) for O2 changed to match symmetry constraints.

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formula: Pb (Al2 Si2) O8
compound: <missing>
formula_title: <missing>
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alpha: 90
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gamma: 90
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pub_title:
 Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8)
 Sample: PbF_L1h, single Pb site

atoms_sites:
["Pb", "Al1o", "Si1o", "Al1z", "Si1z", "Al2o", "Si2o", "Al2z", "Si2z", "OA(1)", "OA(2)", "OB(o)", "OB(Z)", "OC(O)", "OC(Z)", "OD(o)", "OD(Z)"]

atoms_aniso_label:
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formula: Pb.5 (Al Si) O4
compound: <missing>
formula_title: <missing>
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c: 14.343
alpha: 90
beta: 115.27
gamma: 90
cell_volume: 1424.352
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pub_title:
 Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8)
 Sample: PbF_L1h, split Pb site

atoms_sites:
["Pb*", "Pb*", "Al1o", "Si1o", "Al1z", "Si1z", "Al2o", "Si2o", "Al2z", "Si2z", "OA(1)", "OA(2)", "OB(o)", "OB(Z)", "OC(O)", "OC(Z)", "OD(o)", "OD(Z)"]

atoms_aniso_label:
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formula: Pb (Al2 Si2) O8
compound: <missing>
formula_title: <missing>
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c: 14.334
alpha: 90
beta: 115.28
gamma: 90
cell_volume: 1421.841
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pub_title:
 Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8)
 Sample: PbF_L16h, single Pb site

atoms_sites:
["Pb", "Al1o", "Si1o", "Al1z", "Si1z", "Al2o", "Si2o", "Al2z", "Si2z", "OA(1)", "OA(2)", "OB(o)", "OB(Z)", "Oc(o)", "Ocz", "Odo", "Odz"]

atoms_aniso_label:
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formula: Pb.5 (Al Si) O4
compound: <missing>
formula_title: <missing>
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c: 14.334
alpha: 90
beta: 115.28
gamma: 90
cell_volume: 1421.841
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pub_title:
 Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8)
 Sample: PbF_L16h, split Pb site

atoms_sites:
["Pb*", "Pb*", "Al1o", "Si1o", "Al1z", "Si1z", "Al2o", "Si2o", "Al2z", "Si2z", "OA(1)", "OA(2)", "OB(o)", "OB(Z)", "Oc(o)", "Ocz", "Odo", "Odz"]

atoms_aniso_label:
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qdat:
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formula: Pb (Al2 Si2) O8
compound: <missing>
formula_title: <missing>
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b: 13.063
c: 14.344
alpha: 90
beta: 115.29
gamma: 90
cell_volume: 1423.950
crystal_density: 4.155
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pub_title:
 Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8)
 Sample: PbF_L64h, single Pb site

atoms_sites:
["Pb", "Al1o", "Si1o", "Al1z", "Si1z", "Al2o", "Si2o", "Al2z", "Si2z", "Oa1", "Oa2", "Obo", "Obz", "Oco", "Ocz", "Odo", "Odz"]

atoms_aniso_label:
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qdat:
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formula: Pb.5 (Al Si) O4
compound: <missing>
formula_title: <missing>
a: 8.405
b: 13.063
c: 14.344
alpha: 90
beta: 115.29
gamma: 90
cell_volume: 1423.950
crystal_density: 4.155
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pub_title:
 Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8)
 Sample: PbF_L64h, split Pb site

atoms_sites:
["Pb*", "Pb*", "Al1o", "Si1o", "Al1z", "Si1z", "Al2o", "Si2o", "Al2z", "Si2z", "Oa1", "Oa2", "Obo", "Obz", "Oco", "Ocz", "Odo", "Odz"]

atoms_aniso_label:
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formula_title: <missing>
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pub_title:
 Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8)
 Sample: PbF_H136h, single Pb site

atoms_sites:
["Pb", "Al1o", "Si1o", "Al1z", "Si1z", "Al2o", "Si2o", "Al2z", "Si2z", "Oa1", "Oa2", "Obo", "Obz", "Oco", "Ocz", "Odo", "Odz"]

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formula_title: <missing>
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pub_title:
 Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8)
 Sample: PbF_H136h, split Pb site

atoms_sites:
["Pb*", "Pb*", "Al1o", "Si1o", "Al1z", "Si1z", "Al2o", "Si2o", "Al2z", "Si2z", "Oa1", "Oa2", "Obo", "Obz", "Oco", "Ocz", "Odo", "Odz"]

atoms_aniso_label:
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formula: Si8 Mg1.21 Fe2.89 Al.2 Ti.12 Zn.02 Li3.21 Mn.07 Na1.18 Ca.04 K.06 H1.58 O23.58 F.42
compound: <missing>
formula_title: <missing>
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alpha: 90
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gamma: 90
cell_volume: 874.101
crystal_density: 3.313
pub_title:
 Ferri-clinoholmquistite, Li2(Fe,Mg)3Fe2Si8O22(OH)2, a new Li clinoamphibole from
 the Pedriza Massif, Sierra de Guadarrama, Spanish Central System

atoms_sites:
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formula: Mo2 Fe O10
compound: <missing>
formula_title: <missing>
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gamma: 72.85
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pub_title:
 Bamfordite, a new hydrated iron molybdenum oxyhydroxide from Queensland,
 Australia: Description and crystal chemistry

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pub_title:
 Cordylite-(Ce): A crystal chemical investigation of material from four
 localities, including type material
 Sample: from Narssarssuk, Greenland, type sample, determined by the Vienna group
 refinement based on F2

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pub_title:
 Cordylite-(Ce): A crystal chemical investigation of material from four
 localities, including type material
 Sample: from Narssarssuk, Greenland, determined by the Vienna group,
 refinement based on F2

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pub_title:
 Cordylite-(Ce): A crystal chemical investigation of material from four
 localities, including type material
 Sample: from Narssarssuk, Greenland, determined by the Miami group,
 refinement based on F

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formula_title: <missing>
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pub_title:
 Cordylite-(Ce): A crystal chemical investigation of material from four
 localities, including type material
 Sample: from Mont St. Hilaire, determined by the Vienna group,
 refinement based on F2

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pub_title:
 Cordylite-(Ce): A crystal chemical investigation of material from four
 localities, including type material
 Sample: from Mont St. Hilaire, determined by the Miami group,
 refinement based on F

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pub_title:
 Cordylite-(Ce): A crystal chemical investigation of material from four
 localities, including type material
 Sample: from Kola Pen., refinement based on F2

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pub_title:
 Cordylite-(Ce): A crystal chemical investigation of material from four
 localities, including type material
 Sample: from Bayan Obo, refinement based on F2

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pub_title:
 High-pressure single-crystal X-ray diffraction and infrared spectroscopic
 studies of the C2/m-P2_1/m phase transition in cummingtonite
 Sample: P = 0.00 GPa, in air

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pub_title:
 High-pressure single-crystal X-ray diffraction and infrared spectroscopic
 studies of the C2/m-P2_1/m phase transition in cummingtonite
 Sample: P = 0.60 GPa

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pub_title:
 High-pressure single-crystal X-ray diffraction and infrared spectroscopic
 studies of the C2/m-P2_1/m phase transition in cummingtonite
 Sample: P = 1.10 GPa

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pub_title:
 High-pressure single-crystal X-ray diffraction and infrared spectroscopic
 studies of the C2/m-P2_1/m phase transition in cummingtonite
 Sample: P = 1.32 GPa

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pub_title:
 High-pressure single-crystal X-ray diffraction and infrared spectroscopic
 studies of the C2/m-P2_1/m phase transition in cummingtonite
 Sample: P = 2.97 GPa

atoms_sites:
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formula: Fe3.471 Mg3.445 Al.008 Ca.076 Si8 O24
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pub_title:
 High-pressure single-crystal X-ray diffraction and infrared spectroscopic
 studies of the C2/m-P2_1/m phase transition in cummingtonite
 Sample: P = 5.09 GPa

atoms_sites:
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formula: Fe3.471 Mg3.445 Al.008 Ca.076 Si8 O24
compound: <missing>
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pub_title:
 High-pressure single-crystal X-ray diffraction and infrared spectroscopic
 studies of the C2/m-P2_1/m phase transition in cummingtonite
 Sample: P = 7.90 GPa

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formula: Cu As (O6 H5)
compound: <missing>
pub_title: Description and crystal structure of yvonite, Cu(AsO3OH)2H2O
formula_title: <missing>
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atoms_sites:
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atoms_aniso_label:
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formula: Ca Mg Na6 I6 Cr2 O40 H20
compound: <missing>
formula_title: <missing>
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b: 10.918
c: 15.768
alpha: 90
beta: 114.42
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cell_volume: 3706.447
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atoms_occupancy: 0
atoms_u_iso: 0
pub_title:
 Georgeericksenite, Na6CaMg(IO3)6(CrO4)2(H2O)12, a new mineral from Oficina
 Chacabuco, Chile: Description and crystal structure

atoms_sites:
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formula_title: <missing>
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beta: 90
gamma: 90
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pub_title:
 Crystal structure of a new spinelloid with the wadsleyite structure in the
 system Fe2SiO4-Fe3O4 and implications for the Earth's mantle
 Fe2.45Si.55O4

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cell_volume: 908.755
crystal_density: 3.033
atoms_u_iso: 0
pub_title:
 Fe-Mg order-disorder in tremolite-actinolite-ferro-actinolite at ambient
 and high temperature
 Sample: NMNH 93728 from Greiner, Zillertal, Austria in act-talc rock

atoms_sites:
["Fe1", "Mn1", "Mg1", "Fe2", "Mn2", "Mg2", "Al2", "Ti2", "Fe3", "Mg3", "Fe4", "Mn4", "Mg4", "Ca4", "Na4", "Si1", "Al1", "Si2", "KA(m)", "NaA(m)", "H", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]

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atoms_u_iso: 0
pub_title:
 Fe-Mg order-disorder in tremolite-actinolite-ferro-actinolite at ambient
 and high temperature
 Sample: C78, NMNH 93728 from Greiner, Zillertal, Austria in act-talc rock
 after heating at 700 C

atoms_sites:
["Fe1", "Mn1", "Mg1", "Fe2", "Mn2", "Mg2", "Al2", "Fe3", "Mg3", "Fe4", "Mn4", "Mg4", "Ca4", "Na4", "Si1", "Al1", "Si2", "NaA(m)", "KA(m)", "H", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]

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pub_title:
 Fe-Mg order-disorder in tremolite-actinolite-ferro-actinolite at ambient
 and high temperature
 Sample: 67-3172, from Carr Fork Mine, Bingham, Utah in cpx hornfels rock

atoms_sites:
["Fe1", "Mn1", "Mg1", "Fe2", "Mn2", "Mg2", "Al2", "Ti2", "Fe3", "Mg3", "Fe4", "Mn4", "Mg4", "Ca4", "Na4", "Si1", "Al1", "Si2", "NaA(m)", "KA(m)", "H", "O1", "O2", "O3", "F3", "O4", "O5", "O6", "O7"]

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crystal_density: 3.104
atoms_u_iso: 0
pub_title:
 Fe-Mg order-disorder in tremolite-actinolite-ferro-actinolite at ambient
 and high temperature
 Sample: C70, 67-3172, from Carr Fork Mine, Bingham, Utah in cpx hornfels rock
 after heating at 700 C

atoms_sites:
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c: 5.284
alpha: 90
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gamma: 90
cell_volume: 912.308
crystal_density: 3.117
atoms_u_iso: 0
pub_title:
 Fe-Mg order-disorder in tremolite-actinolite-ferro-actinolite at ambient
 and high temperature
 Sample: 67-3701, from Carr Fork Mine, Bingham, Utah in cpx hornfels rock

atoms_sites:
["Fe1", "Mn1", "Mg1", "Fe2", "Mn2", "Mg2", "Ti2", "Al2", "Fe3", "Mg3", "Fe4", "Mn4", "Mg4", "Ca4", "Na4", "Si1", "Al1", "Si2", "NaA(m)", "KA(m)", "H", "O1", "O2", "O3", "F3", "O4", "O5", "O6", "O7"]

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atoms_aniso_u13:
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atoms_aniso_u23:
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formula: Fe1.166 Mn.444 Mg2.71 Al.182 Ti.004 Ca1.89 Na.212 Si7.836 K.066 H1.556 O23.56 F.406 Cl.034
compound: <missing>
formula_title: <missing>
a: 9.863
b: 18.090
c: 5.282
alpha: 90
beta: 104.78
gamma: 90
cell_volume: 911.241
crystal_density: 3.102
atoms_u_iso: 0
pub_title:
 Fe-Mg order-disorder in tremolite-actinolite-ferro-actinolite at ambient
 and high temperature
 Sample: C71, 67-3701, from Carr Fork Mine, Bingham, Utah in cpx hornfels rock
 after heating at 700 C

atoms_sites:
["Fe1", "Mn1", "Mg1", "Fe2", "Mn2", "Mg2", "Al2", "Ti2", "Fe3", "Mg3", "Fe4", "Mn4", "Mg4", "Ca4", "Na4", "Si1", "Al1", "Si2", "NaA(m)", "KA(m)", "H", "O1", "O2", "O3", "F3", "Cl3", "O4", "O5", "O6", "O7"]

atoms_x:
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atoms_z:
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atoms_occupancy:
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atoms_aniso_u23:
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formula: Fe1.538 Mn.052 Mg3.364 Al.194 Ti.002 Ca1.922 Na.052 Si7.888 K.01 H1.92 O24
compound: <missing>
formula_title: <missing>
a: 9.881
b: 18.139
c: 5.298
alpha: 90
beta: 104.78
gamma: 90
cell_volume: 918.149
crystal_density: 3.118
atoms_u_iso: 0
pub_title:
 Fe-Mg order-disorder in tremolite-actinolite-ferro-actinolite at ambient
 and high temperature
 Sample: NMNH 156831, from Green Monster Mine, Alaska in uralite from cpx

atoms_sites:
["Fe1", "Mn1", "Mg1", "Fe2", "Mn2", "Mg2", "Al2", "Ti2", "Fe3", "Mg3", "Fe4", "Mn4", "Mg4", "Ca4", "Na4", "Si1", "Al1", "Si2", "NaA(m)", "KA(m)", "H", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]

atoms_x:
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atoms_y:
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atoms_z:
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atoms_occupancy:
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atoms_aniso_label:
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atoms_aniso_u13:
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atoms_aniso_u23:
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qdat:
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formula: Fe1.94 Mn.046 Mg2.964 Al3.806 Ti.012 Ca1.898 Na.212 Si4.312 K.066 H1.844 O23.802 F.184 Cl.014
compound: <missing>
formula_title: <missing>
a: 9.886
b: 18.150
c: 5.300
alpha: 90
beta: 104.79
gamma: 90
cell_volume: 919.476
crystal_density: 3.169
atoms_u_iso: 0
pub_title:
 Fe-Mg order-disorder in tremolite-actinolite-ferro-actinolite at ambient
 and high temperature
 Sample: C79, NMNH 156831, from Green Monster Mine, Alaska in uralite from cpx
 after heating at 700 C

atoms_sites:
["Fe1", "Mn1", "Mg1", "Fe2", "Mn2", "Mg2", "Al2", "Ti2", "Fe3", "Mg3", "Fe4", "Mn4", "Mg4", "Ca4", "Na4", "Si1", "Al1", "Si2", "NaA(m)", "KA(m)", "H", "O1", "O2", "O3", "F3", "Cl3", "O4", "O5", "O6", "O7"]

atoms_x:
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atoms_z:
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atoms_occupancy:
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atoms_aniso_label:
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atoms_aniso_u11:
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atoms_aniso_u13:
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atoms_aniso_u23:
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qdat:
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formula: Fe2.762 Mn.024 Mg2.336 Al.008 Ca1.838 Na.036 Si8 H1.854 O23.926 F.038 Cl.036
compound: <missing>
formula_title: <missing>
a: 9.891
b: 18.190
c: 5.297
alpha: 90
beta: 104.54
gamma: 90
cell_volume: 922.499
crystal_density: 3.234
atoms_u_iso: 0
pub_title:
 Fe-Mg order-disorder in tremolite-actinolite-ferro-actinolite at ambient
 and high temperature
 Sample: 11B, from Luce Lake, Labrador, Canada in an iron formation

atoms_sites:
["Fe1", "Mn1", "Mg1", "Fe2", "Mn2", "Mg2", "Al2", "Fe3", "Mg3", "Fe4", "Mn4", "Ca4", "Na4", "Si1", "Al1", "Si2", "H", "O1", "O2", "O3", "F3", "Cl3", "O4", "O5", "O6", "O7"]

atoms_x:
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atoms_y:
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atoms_z:
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atoms_occupancy:
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atoms_aniso_label:
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atoms_aniso_u22:
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atoms_aniso_u12:
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atoms_aniso_u13:
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atoms_aniso_u23:
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qdat:
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formula: Fe2.711 Mn.026 Mg2.423 Ca1.77 Na.112 Si7.984 Al.016 K.004 H1.878 O23.918 F.046 Cl.036
compound: <missing>
formula_title: <missing>
a: 9.890
b: 18.198
c: 5.296
alpha: 90
beta: 104.57
gamma: 90
cell_volume: 922.512
crystal_density: 3.228
atoms_u_iso: 0
pub_title:
 Fe-Mg order-disorder in tremolite-actinolite-ferro-actinolite at ambient
 and high temperature
 Sample: C46, 11B, from Luce Lake, Labrador, Canada in an iron formation
 after heating at 600 C

atoms_sites:
["Fe1", "Mn1", "Mg1", "Fe2", "Mn2", "Mg2", "Fe3", "Mg3", "Fe4", "Mn4", "Mg4", "Ca4", "Na4", "Si1", "Al1", "Si2", "NaA(m)", "KA(m)", "H", "O1", "O2", "O3", "F3", "Cl3", "O4", "O5", "O6", "O7"]

atoms_x:
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atoms_y:
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atoms_z:
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atoms_occupancy:
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atoms_aniso_label:
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atoms_aniso_u13:
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atoms_aniso_u23:
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qdat:
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formula: Fe2.755 Mn.03 Mg2.395 Ca1.78 Na.076 Si7.98 Al.02 K.012 H1.88 O23.918 F.046 Cl.036
compound: <missing>
formula_title: <missing>
a: 9.891
b: 18.200
c: 5.296
alpha: 90
beta: 104.55
gamma: 90
cell_volume: 922.790
crystal_density: 3.234
atoms_u_iso: 0
pub_title:
 Fe-Mg order-disorder in tremolite-actinolite-ferro-actinolite at ambient
 and high temperature
 Sample: C28, 11B, from Luce Lake, Labrador, Canada in an iron formation
 after heating at 700 C

atoms_sites:
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atoms_x:
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atoms_y:
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atoms_z:
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atoms_aniso_label:
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atoms_aniso_u11:
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atoms_aniso_u22:
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atoms_aniso_u33:
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atoms_aniso_u12:
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atoms_aniso_u13:
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atoms_aniso_u23:
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qdat:
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formula: Fe2.757 Mn.026 Mg2.385 Al.016 Ca1.782 Na.074 Si7.988 K.004 H1.876 O23.912 F.048 Cl.04
compound: <missing>
formula_title: <missing>
a: 9.890
b: 18.192
c: 5.294
alpha: 90
beta: 104.53
gamma: 90
cell_volume: 922.026
crystal_density: 3.235
atoms_u_iso: 0
pub_title:
 Fe-Mg order-disorder in tremolite-actinolite-ferro-actinolite at ambient
 and high temperature
 Sample: C41, 11B, from Luce Lake, Labrador, Canada in an iron formation
 after heating at 800 C

atoms_sites:
["Fe1", "Mn1", "Mg1", "Fe2", "Mn2", "Mg2", "Al2", "Fe3", "Mg3", "Fe4", "Mn4", "Mg4", "Ca4", "Na4", "Si1", "Al1", "Si2", "NaA(m)", "KA(m)", "H", "O1", "O2", "O3", "F3", "Cl3", "O4", "O5", "O6", "O7"]

atoms_x:
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atoms_y:
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atoms_z:
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atoms_occupancy:
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atoms_aniso_label:
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atoms_aniso_u11:
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atoms_aniso_u22:
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atoms_aniso_u33:
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atoms_aniso_u12:
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atoms_aniso_u13:
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atoms_aniso_u23:
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qdat:
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formula: Fe2.711 Mn.04 Mg2.395 Ti.002 Ca1.824 Na.12 Si7.92 Al.08 K.016 H1.88 O24
compound: <missing>
formula_title: <missing>
a: 9.886
b: 18.171
c: 5.297
alpha: 90
beta: 104.61
gamma: 90
cell_volume: 920.777
crystal_density: 3.242
atoms_u_iso: 0
pub_title:
 Fe-Mg order-disorder in tremolite-actinolite-ferro-actinolite at ambient
 and high temperature
 Sample: 12BA, from Bloom Lake, Quebec, Canada in an iron formation

atoms_sites:
["Fe1", "Mn1", "Mg1", "Fe2", "Mn2", "Mg2", "Ti2", "Fe3", "Mg3", "Fe4", "Mn4", "Mg4", "Ca4", "Na4", "Si1", "Al1", "Si2", "NaA(m)", "KA(m)", "H", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]

atoms_x:
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atoms_y:
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atoms_z:
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atoms_occupancy:
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atoms_aniso_label:
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atoms_aniso_u11:
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atoms_aniso_u22:
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atoms_aniso_u33:
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atoms_aniso_u12:
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atoms_aniso_u13:
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atoms_aniso_u23:
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qdat:
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formula: Fe2.673 Mn.042 Mg2.405 Ca1.872 Na.096 Si7.928 Al.072 K.004 H1.886 O23.932 F.048 Cl.02
compound: <missing>
formula_title: <missing>
a: 9.900
b: 18.198
c: 5.299
alpha: 90
beta: 104.63
gamma: 90
cell_volume: 923.716
crystal_density: 3.230
atoms_u_iso: 0
pub_title:
 Fe-Mg order-disorder in tremolite-actinolite-ferro-actinolite at ambient
 and high temperature
 Sample: C60, 12BA, from Bloom Lake, Quebec, Canada in an iron formation
 after heating at 700 C

atoms_sites:
["Fe1", "Mn1", "Mg1", "Fe2", "Mn2", "Mg2", "Fe3", "Mg3", "Fe4", "Mn4", "Mg4", "Ca4", "Na4", "Si1", "Al1", "Si2", "NaA(m)", "KA(m)", "H", "O1", "O2", "O3", "F3", "Cl3", "O4", "O5", "O6", "O7"]

atoms_x:
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atoms_y:
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atoms_z:
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atoms_occupancy:
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atoms_aniso_label:
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atoms_aniso_u11:
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atoms_aniso_u22:
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atoms_aniso_u33:
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atoms_aniso_u12:
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atoms_aniso_u13:
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atoms_aniso_u23:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAKj4//+o+P//AAAAAKj4//+o+P//AAAAAAAAAAAAAAAAKPH//7gzAACg0///AAAAAA==

qdat:
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formula: Fe2.757 Mn.316 Mg2.049 Al.294 Ti.004 Ca1.772 Na.192 Si7.756 K.022 H1.836 O23.952 F.048
compound: <missing>
formula_title: <missing>
a: 9.884
b: 18.189
c: 5.302
alpha: 90
beta: 104.60
gamma: 90
cell_volume: 922.414
crystal_density: 3.274
atoms_u_iso: 0
pub_title:
 Fe-Mg order-disorder in tremolite-actinolite-ferro-actinolite at ambient
 and high temperature
 Sample: AMNH 44973, from Cumberland, Rhode Island in a quartzite

atoms_sites:
["Fe1", "Mn1", "Mg1", "Fe2", "Mn2", "Mg2", "Al2", "Ti2", "Fe3", "Mg3", "Fe4", "Mn4", "Mg4", "Ca4", "Na4", "Si1", "Al1", "Si2", "NaA(m)", "KA(m)", "H", "O1", "O2", "O3", "F3", "O4", "O5", "O6", "O7"]

atoms_x:
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atoms_y:
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atoms_z:
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atoms_occupancy:
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atoms_aniso_label:
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atoms_aniso_u11:
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atoms_aniso_u22:
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atoms_aniso_u33:
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atoms_aniso_u12:
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atoms_aniso_u13:
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atoms_aniso_u23:
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qdat:
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formula: Fe2.823 Mn.336 Mg1.979 Al.282 Ti.006 Ca1.736 Na.176 Si7.792 K.024 H1.894 O23.952 F.048
compound: <missing>
formula_title: <missing>
a: 9.890
b: 18.194
c: 5.306
alpha: 90
beta: 104.62
gamma: 90
cell_volume: 923.841
crystal_density: 3.277
atoms_u_iso: 0
pub_title:
 Fe-Mg order-disorder in tremolite-actinolite-ferro-actinolite at ambient
 and high temperature
 Sample: C59, AMNH 44973, from Cumberland, Rhode Island in a quartzite
 after heating at 700 C

atoms_sites:
["Fe1", "Mn1", "Mg1", "Fe2", "Mn2", "Mg2", "Al2", "Ti2", "Fe3", "Mg3", "Fe4", "Mn4", "Mg4", "Ca4", "Na4", "Si1", "Al1", "Si2", "NaA(m)", "KA(m)", "H", "O1", "O2", "O3", "F3", "O4", "O5", "O6", "O7"]

atoms_x:
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atoms_y:
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atoms_z:
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atoms_occupancy:
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atoms_aniso_label:
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atoms_aniso_u11:
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atoms_aniso_u22:
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atoms_aniso_u33:
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atoms_aniso_u12:
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atoms_aniso_u13:
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atoms_aniso_u23:
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formula: Fe3.112 Mn.088 Mg1.954 Al.024 Ti.002 Ca1.814 Na.018 Si7.988 H1.86 O23.96 F.01 Cl.03
compound: <missing>
formula_title: <missing>
a: 9.908
b: 18.218
c: 5.301
alpha: 90
beta: 104.59
gamma: 90
cell_volume: 925.996
crystal_density: 3.267
atoms_u_iso: 0
pub_title:
 Fe-Mg order-disorder in tremolite-actinolite-ferro-actinolite at ambient
 and high temperature
 Sample: ID4-4C, from Isua Belt, East Greenland, in an iron formation

atoms_sites:
["Fe1", "Mn1", "Mg1", "Fe2", "Mn2", "Mg2", "Al2", "Ti2", "Fe3", "Mg3", "Fe4", "Mn4", "Mg4", "Ca4", "Na4", "Si1", "Al1", "Si2", "H", "O1", "O2", "O3", "F3", "Cl3", "O4", "O5", "O6", "O7"]

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formula: Fe3.17 Mn.092 Mg1.906 Ca1.814 Na.038 Si7.972 Al.028 K.004 H1.872 O23.926 F.048 Cl.026
compound: <missing>
formula_title: <missing>
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b: 18.211
c: 5.299
alpha: 90
beta: 104.64
gamma: 90
cell_volume: 924.614
crystal_density: 3.281
atoms_u_iso: 0
pub_title:
 Fe-Mg order-disorder in tremolite-actinolite-ferro-actinolite at ambient
 and high temperature
 Sample: C51, ID4-4C, from Isua Belt, East Greenland, in an iron formation
 after heating at 700 C

atoms_x:
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compound: <missing>
formula_title: <missing>
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alpha: 90
beta: 104.81
gamma: 90
cell_volume: 936.269
crystal_density: 3.357
atoms_u_iso: 0
pub_title:
 Fe-Mg order-disorder in tremolite-actinolite-ferro-actinolite at ambient
 and high temperature
 Sample: NMNH 168215, from Goose Creek Quarry, Leesburg, Virginia,
 in an alteration of hornblende

atoms_sites:
["Fe1", "Mn1", "Mg1", "Fe2", "Mn2", "Mg2", "Ti2", "Fe3", "Mg3", "Fe4", "Mn4", "Ca4", "Na4", "Si1", "Al1", "Si2", "NaA(m)", "KA(m)", "H", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]

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atoms_z:
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formula: Fe4.104 Mn.18 Mg.742 Ti.004 Ca1.952 Na.024 Si7.98 Al.02 K.048 H1.868 O24 F.01 Cl.006
compound: <missing>
formula_title: <missing>
a: 9.986
b: 18.296
c: 5.306
alpha: 90
beta: 104.79
gamma: 90
cell_volume: 937.308
crystal_density: 3.361
atoms_u_iso: 0
pub_title:
 Fe-Mg order-disorder in tremolite-actinolite-ferro-actinolite at ambient
 and high temperature
 Sample: C80, NMNH 168215, from Goose Creek Quarry, Leesburg, Virginia,
 in an alteration of hornblende, after heating at 700 C

atoms_sites:
["Fe1", "Mn1", "Mg1", "Fe2", "Mn2", "Mg2", "Ti2", "Fe3", "Mg3", "Fe4", "Mn4", "Ca4", "Na4", "Si1", "Al1", "Si2", "NaA(m)", "KA(m)", "H", "O1", "O2", "O3", "F3", "Cl3", "O4", "O5", "O6", "O7"]

atoms_x:
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atoms_y:
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atoms_z:
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atoms_aniso_label:
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formula: (Si14.34 Al3.66) Ca2 K O50.85 H29.7
compound: <missing>
formula_title: <missing>
a: 13.339
b: 13.339
c: 15.112
alpha: 90
beta: 90
gamma: 120
cell_volume: 2328.623
crystal_density: 2.088
atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structure-crystal chemistry relationships in the zeolites erionite
 and offretite
 Sample from Lady Hill

atoms_sites:
["Si1", "Al1", "Si2", "Al2", "Ca1", "Ca2", "Ca3", "Ca4", "K", "O1", "O2", "O3", "O4", "O5", "O6", "Wat1", "Wat1b", "Wat2", "Wat2b", "Wat3", "Wat3b", "Wat3c"]

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atoms_z:
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formula: (Si14.046 Al3.954) Ca1.22 Mg.26 K O49.2 H26.4
compound: <missing>
formula_title: <missing>
a: 13.264
b: 13.264
c: 15.067
alpha: 90
beta: 90
gamma: 120
cell_volume: 2295.654
crystal_density: 2.039
atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structure-crystal chemistry relationships in the zeolites erionite
 and offretite
 Sample from Shourdo

atoms_sites:
["Si1", "Al1", "Si2", "Al2", "Ca1", "Ca2", "Ca3", "Ca4", "Mg", "K", "O1", "O2", "O3", "O4", "O5", "O6", "Wat1", "Wat2", "Wat2b", "Wat3", "Wat3b", "Wat3c"]

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formula: (Si13.746 Al4.254) Ca1.8 K.85 O51.36 H30.72
compound: <missing>
formula_title: <missing>
a: 13.304
b: 13.304
c: 15.078
alpha: 90
beta: 90
gamma: 120
cell_volume: 2311.207
crystal_density: 2.096
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:
 Crystal structure-crystal chemistry relationships in the zeolites erionite
 and offretite
 Sample from Tunguska

atoms_sites:
["Si1", "Al1", "Si2", "Al2", "Ca1", "Ca2", "Ca3", "Ca4", "K", "O1", "O2", "O3", "O4", "O5", "O6", "Wat1", "Wat2", "Wat2b", "Wat3", "Wat3b", "Wat3c"]

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atoms_z:
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formula: (Si13.89 Al4.11) Ca1.36 Mg.4 K.87 O53.58 H35.16
compound: <missing>
formula_title: <missing>
a: 13.289
b: 13.289
c: 15.079
alpha: 90
beta: 90
gamma: 120
cell_volume: 2306.151
crystal_density: 2.149
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:
 Crystal structure-crystal chemistry relationships in the zeolites erionite
 and offretite
 Sample from Agate Beach

atoms_sites:
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formula: (Si12.78 Al5.22) Ca1.4 K Mg O49.52 H27.04
compound: <missing>
formula_title: <missing>
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b: 13.293
c: 7.608
alpha: 90
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cell_volume: 1164.252
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pub_title:
 Crystal structure-crystal chemistry relationships in the zeolites erionite
 and offretite
 Sample from Mt. Semiol

atoms_sites:
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formula: (Si12.6 Al5.4) Ca1.52 K.96 Mg.97 O51.5 H31
compound: <missing>
formula_title: <missing>
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b: 13.390
c: 7.598
alpha: 90
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cell_volume: 1179.753
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pub_title:
 Crystal structure-crystal chemistry relationships in the zeolites erionite
 and offretite
 Sample #1 from Fitta

atoms_sites:
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formula: (Si12.6 Al5.4) Ca1.5 K.89 Mg.86 O52.07 H32.14
compound: <missing>
formula_title: <missing>
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b: 13.308
c: 7.597
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beta: 90
gamma: 120
cell_volume: 1165.194
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atoms_aniso_label: "<missing>"
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atoms_aniso_u23: 0
pub_title:
 Crystal structure-crystal chemistry relationships in the zeolites erionite
 and offretite
 Sample #2 from Fitta

atoms_sites:
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formula: Ca22.48 Sr4.32 K2.88 Ba1.2 Cu12 (Si48 Al48) O305.862 Cl.224 H195.724
compound: <missing>
pub_title: Tschortnerite, a copper-bearing zeolite from the Bellberg volcano, Eifel, Germany
formula_title: <missing>
a: 31.62
b: 31.62
c: 31.62
alpha: 90
beta: 90
gamma: 90
cell_volume: 31614.451
crystal_density: 2.114
atoms_sites:
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formula: Na8 Si7 O18
compound: <missing>
formula_title: Na8Si[Si6O18]
a: 7.180
b: 7.180
c: 7.180
alpha: 87.26
beta: 87.26
gamma: 87.26
cell_volume: 368.916
crystal_density: 3.009
atoms_sites: ["Na1", "Na2", "Na3", "Si1", "Si2", "O1", "O2", "O3"]
atoms_x: MGwOAAAAAACAhB4AAAAAAHCYEACQ/gwAoFAKAKBRDgA=
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atoms_occupancy: 0
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atoms_aniso_label: ["Na1", "Na2", "Na3", "Si1", "Si2", "O1", "O2", "O3"]
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pub_title:
 Sodium heptasilicate: A high-pressure silicate with six-membered rings of
 tetrahedra interconnected by SiO6 octahedra: (Na8Si[Si6O18])

qdat:
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formula: Sc P O4
compound: <missing>
formula_title: <missing>
a: 6.589
b: 6.589
c: 5.806
alpha: 90
beta: 90
gamma: 90
cell_volume: 252.067
crystal_density: 3.687
atoms_sites: ["Sc", "P", "O"]
atoms_x: AAAAAAAAAAAAAAAA
atoms_y: wMYtAEBCDwDARQQA
atoms_z: IKEHAGDjFgCwnQwA
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pub_title:
 Pretulite, ScPO4, a new scandium mineral from the Styrian and Lower Austrian
 lazulite occurrences, Austria

qdat:
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formula: Na Al Si O4
compound: Synthetic
pub_title: Crystal structure of hexagonal trinepheline - A new synthetic NaAlSiO4 modification
formula_title: <missing>
a: 9.995
b: 9.995
c: 24.797
alpha: 90
beta: 90
gamma: 120
cell_volume: 2145.336
crystal_density: 2.639
atoms_occupancy: 0
atoms_u_iso: 0
atoms_sites:
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formula: Mn Si2 O5
compound: <missing>
pub_title: MnSi2O5 with the titanite structure: A new high-pressure phase in the MnO-SiO2 binary
formula_title: <missing>
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b: 8.161
c: 6.583
alpha: 90
beta: 114.459
gamma: 90
cell_volume: 309.651
crystal_density: 4.099
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formula: (K.99 Na.01) Si3.32 Al2.37 Fe.3 Mn.06 H.3 O11.96 F.04
compound: <missing>
formula_title: <missing>
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b: 9.074
c: 20.039
alpha: 90
beta: 95.74
gamma: 90
cell_volume: 945.499
crystal_density: 2.870
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pub_title:
 Crystal chemistry of Mg-, Fe-bearing muscovites-2M1
 Sample GA1 from a pegmatite on Maddalena Island, Italy

atoms_sites:
["K", "Na", "Si1", "Al1", "Si2", "Al2", "Fe2", "Mn2", "Al2", "Al1", "H", "O11", "O21", "O22", "O31", "O32", "O4", "F4"]

atoms_aniso_label:
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qdat:
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compound: <missing>
pub_title: Crystal chemistry of Mg-, Fe-bearing muscovites-2M1 Sample RA1 from a pegmatite on Antarctica
formula_title: <missing>
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alpha: 90
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cell_volume: 926.352
crystal_density: 2.877
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atoms_aniso_label:
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compound: <missing>
formula_title: <missing>
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alpha: 90
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cell_volume: 929.167
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pub_title:
 Crystal chemistry of Mg-, Fe-bearing muscovites-2M1
 Sample A4b from peraluminous granites at Sardinia, Italy

atoms_sites:
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atoms_aniso_label:
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qdat:
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formula: (K.92 Na.08) Si3.04 Al2.83 Ti.02 Fe.06 Mg.08 H.32 O12
compound: <missing>
formula_title: <missing>
a: 5.192
b: 9.013
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alpha: 90
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gamma: 90
cell_volume: 933.676
crystal_density: 2.832
atoms_u_iso: 0
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pub_title:
 Crystal chemistry of Mg-, Fe-bearing muscovites-2M1
 Sample GFS15Ab from peraluminous granites at Sardinia, Italy

atoms_sites:
["K", "Na", "Si1", "Al1", "Si2", "Al2", "Ti2", "Fe2", "Mg2", "Al2", "Al1", "H", "O11", "O21", "O22", "O31", "O32", "O4", "O4"]

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atoms_aniso_label:
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formula: (K.96 Na.04) Si3.08 Al2.68 Fe.3 O11.96 F.04
compound: <missing>
formula_title: <missing>
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c: 20.066
alpha: 90
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gamma: 90
cell_volume: 939.736
crystal_density: 2.871
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pub_title:
 Crystal chemistry of Mg-, Fe-bearing muscovites-2M1
 Sample H87b from peraluminous granites at Sardinia, Italy

atoms_sites:
["K", "Na", "Si1", "Al1", "Si2", "Al2", "Fe2", "Al2", "Al1", "O11", "O21", "O22", "O31", "O32", "O4", "F4"]

atoms_aniso_label:
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qdat:
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formula: (K.92 Na.08) Si3.2 Al2.64 Ti.06 Fe.06 Mg.06 H.3 O12
compound: <missing>
formula_title: <missing>
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b: 9.005
c: 20.031
alpha: 90
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gamma: 90
cell_volume: 930.690
crystal_density: 2.847
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pub_title:
 Crystal chemistry of Mg-, Fe-bearing muscovites-2M1
 Sample CC1b from peraluminous granites at Northern Victoria Land, Antarctica

atoms_sites:
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atoms_aniso_label:
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qdat:
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compound: <missing>
formula_title: <missing>
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gamma: 90
cell_volume: 932.487
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pub_title:
 Crystal chemistry of Mg-, Fe-bearing muscovites-2M1
 Sample C3-29b from peraluminous granites at Northern Victoria Land, Antarctica

atoms_sites:
["K", "Na", "Ca", "Si1", "Al1", "Si2", "Al2", "Ti2", "Fe2", "Mg2", "Al2", "Al1", "H", "O11", "O21", "O22", "O31", "O32", "O4", "F4"]

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qdat:
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compound: <missing>
formula_title: <missing>
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pub_title:
 Crystal chemistry of Mg-, Fe-bearing muscovites-2M1
 Sample B1b from peraluminous granites at Northern Victoria Land, Antarctica

atoms_sites:
["K", "Na", "Si1", "Al1", "Si2", "Al2", "Ti2", "Fe2", "Mg2", "Al2", "Al1", "H", "O11", "O21", "O22", "O31", "O32", "O4", "F4"]

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pub_title:
 Crystal chemistry of Mg-, Fe-bearing muscovites-2M1
 Sample C6Cb from peraluminous granites at Northern Victoria Land, Antarctica

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pub_title:
 Crystal chemistry of Mg-, Fe-bearing muscovites-2M1
 Sample C6Bb from peraluminous granites at Northern Victoria Land, Antarctica

atoms_sites:
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pub_title:
 Crystal chemistry of Mg-, Fe-bearing muscovites-2M1
 Sample C3-31b from peraluminous granites at Northern Victoria Land, Antarctica

atoms_sites:
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formula: Mn3 O4
compound: <missing>
formula_title: <missing>
a: 5.7691
b: 5.7691
c: 9.4605
alpha: 90
beta: 90
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pub_title:
 The influence of iron substitution on the magnetic properties of hausmannite,
 Mn(Fe,Mn)2O4
 Sample at T = 295 K, natural

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formula_title: <missing>
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beta: 90
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pub_title:
 The influence of iron substitution on the magnetic properties of hausmannite,
 Mn(Fe,Mn)2O4
 Sample at T = 295 K, natural

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beta: 90
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pub_title:
 The influence of iron substitution on the magnetic properties of hausmannite,
 Mn(Fe,Mn)2O4
 Sample at T = 295 K, synthetic

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formula: Al Si H O4
compound: <missing>
pub_title: Synthesis, crystal structure, and phase relations of AlSiO3OH, a high-pressure hydrous phase
formula_title: AlSiO3OH
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formula: (V5.22 Al.78) P3 O36.94 Ba.94
compound: Monsanto's Enoch Valley mine, Soda Springs, Idaho, USA
pub_title: Phosphovanadylite: A new vanadium phosphate mineral with a zeolite-type structure
formula_title: <missing>
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formula: Na.43 Al8.16 Li.84 Si6 B3 O30.9 F.1 H3.83
compound: Rozna, Moravia, Czech Republic
formula_title: <missing>
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pub_title:
 Rossmanite, _(LiAl2)Al6(Si6O18)(BO3)3(OH)4, a new alkali-deficient tourmaline:
 Description and crystal structure

atoms_sites:
["NaX", "AlY", "LiY", "AlZ", "SiT", "B", "O-H1", "F1", "O1", "O2", "O-H3", "O4", "O5", "O6", "O7", "O8"]

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formula: (Ti.74 Al.26) Ca Si O5
compound: <missing>
formula_title: <missing>
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b: 8.6901
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alpha: 90
beta: 113.944
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pub_title:
 Thermal annealing behaviour of radiation damaged titanite
 Sample is heated Cardiff titanite, 1123 K for 3 days

qdat:
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formula: (Fe Al2) O4
compound: <missing>
formula_title: <missing>
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b: 8.14578
c: 8.14578
alpha: 90
beta: 90
gamma: 90
cell_volume: 540.503
crystal_density: 4.272
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pub_title:
 The temperature dependence of the cation distribution in synthetic hercynite
 (FeAl2O4) from in-situ neutron structure refinements
 Sample at T = 298 K

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 High-pressure P2_1/c-C2/c phase transitions in clinopyroxenes:
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atoms_sites: ["Mg1", "Mn1", "Mn2", "Mg2", "Si", "O1", "O2", "O3"]
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pub_title:
 High-pressure P2_1/c-C2/c phase transitions in clinopyroxenes:
 Influence of cation size and electronic structure
 Sample at P = 5.2 GPa

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formula: (Ba.69 K.31) Fe5.86 Ti5.42 Mg.72 O19
compound: <missing>
formula_title: <missing>
a: 5.9369
b: 5.9369
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pub_title:
 Haggertyite, a new magnetoplumbite-type titanate mineral from the
 Prairie Creek (Arkansas) lamproite

atoms_sites:
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formula: Ca1.71 Na.25 Fe.68 Mn.32 Sc.91 Sn.04 Si5 (O15 H)
compound: "Montecatini" granite quarry, near Baveno, Novara, Piedmont, Italy
pub_title: Scandiobabingtonite, a new mineral from the Baveno pegmatite, Piedmont, Italy
formula_title: <missing>
a: 7.536
b: 11.734
c: 6.748
alpha: 91.70
beta: 93.86
gamma: 104.53
cell_volume: 575.643
crystal_density: 3.213
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formula: C5
compound: <missing>
pub_title: Hartite from Bilina
formula_title: <missing>
a: 11.407
b: 20.952
c: 7.4060
alpha: 93.941
beta: 100.750
gamma: 80.499
cell_volume: 1713.798
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atoms_sites:
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formula: Ba Ca2 Si9 Al6 O32.11 H4
compound: <missing>
formula_title: <missing>
a: 18.660
b: 10.697
c: 13.874
alpha: 90
beta: 90
gamma: 90
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pub_title:
 Si,Al ordering in the double-ring silicate armenite, BaCa2Al6Si9O30.2H2O:
 A single-crystal X-ray and 29Si MAS NMR study

atoms_sites:
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atoms_x:

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formula: Si8 Mg5.76 Al.12 Na2.11 O22 F2
compound: <missing>
formula_title: <missing>
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b: 17.916
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alpha: 90
beta: 102.82
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cell_volume: 890.241
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pub_title:
 Unusual M3+ cations in synthetic amphiboles with nominal fluoro-eckermannite
 composition: Deviations from stoichiometry and structural effects of the
 cummingtonite component
 Sample: Al, Na.98Na1.10Mg.90Mg4.88Al.12Si8O22F2

atoms_sites:
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compound: <missing>
formula_title: <missing>
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b: 18.036
c: 5.290
alpha: 90
beta: 103.64
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pub_title:
 Unusual M3+ cations in synthetic amphiboles with nominal fluoro-eckermannite
 composition: Deviations from stoichiometry and structural effects of the
 cummingtonite component
 Sample: Sc, Na.92Na1.97Mg.03Mg3.95Sc1.05Si8O22F2

atoms_sites:
["Si(1)", "Si(2)", "Mg(1)", "Sc(2)", "Mg(2)", "Mg(3)", "Na(4)", "Mg(4)", "NaA", "NaA(m)", "NaA(2)", "O1", "O2", "F3", "O4", "O5", "O6", "O7"]

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compound: <missing>
formula_title: <missing>
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pub_title:
 Unusual M3+ cations in synthetic amphiboles with nominal fluoro-eckermannite
 composition: Deviations from stoichiometry and structural effects of the
 cummingtonite component
 Sample: Ti, Na.85Na1.02Mg.98Mg4.83Ti.17Si8O22F2

atoms_sites:
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compound: <missing>
formula_title: <missing>
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c: 5.267
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pub_title:
 Unusual M3+ cations in synthetic amphiboles with nominal fluoro-eckermannite
 composition: Deviations from stoichiometry and structural effects of the
 cummingtonite component
 Sample: V, Na.90Na.92Mg1.08Mg4.98V.02Si8O22F2

atoms_sites:
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compound: <missing>
formula_title: <missing>
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c: 5.282
alpha: 90
beta: 103.69
gamma: 90
cell_volume: 888.739
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pub_title:
 Unusual M3+ cations in synthetic amphiboles with nominal fluoro-eckermannite
 composition: Deviations from stoichiometry and structural effects of the
 cummingtonite component
 Sample: Cr1, Na1.00Na1.97Mg.03Mg4.03Cr.97Si8O22F2

atoms_sites:
["Si(1)", "Si(2)", "Mg(1)", "Cr(2)", "Mg(2)", "Mg(3)", "Mg(4)", "Na(4)", "NaA", "NaA(m)", "NaA(2)", "O1", "O2", "F3", "O4", "O5", "O6", "O7"]

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formula: Si8 Mg4.42 Cr.76 Na2.51 O22 F2
compound: <missing>
formula_title: <missing>
a: 9.728
b: 17.825
c: 5.278
alpha: 90
beta: 103.66
gamma: 90
cell_volume: 889.326
crystal_density: 3.060
atoms_aniso_label: "<missing>"
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atoms_aniso_u23: 0
pub_title:
 Unusual M3+ cations in synthetic amphiboles with nominal fluoro-eckermannite
 composition: Deviations from stoichiometry and structural effects of the
 cummingtonite component
 Sample: Cr2, Na1.00Na1.75Mg.25Mg4.25Cr.75Si8O22F2

atoms_sites:
["Si(1)", "Si(2)", "Mg(1)", "Cr(2)", "Mg(2)", "Mg(3)", "Mg(4)", "Na(4)", "NaA", "NaA(m)", "NaA(2)", "Mg(4*)", "O1", "O2", "F3", "O4", "O5", "O6", "O7"]

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compound: <missing>
formula_title: <missing>
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b: 17.902
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pub_title:
 Unusual M3+ cations in synthetic amphiboles with nominal fluoro-eckermannite
 composition: Deviations from stoichiometry and structural effects of the
 cummingtonite component
 Sample: Ga, Na.94Na1.07Mg.93Mg4.87Ga.13Si8O22F2

atoms_sites:
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compound: <missing>
pub_title: Dehydration dynamics of analcime by in situ synchrotron powder diffraction Sample at T = 298 K
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formula: (Si2.05 Al.95) Na.9 O6.22 H.44
compound: <missing>
pub_title: Dehydration dynamics of analcime by in situ synchrotron powder diffraction Sample at T = 632 K
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formula: (Si4.1 Al1.9) Na1.86 O12
compound: <missing>
pub_title: Dehydration dynamics of analcime by in situ synchrotron powder diffraction Sample at T = 921 K
formula_title: <missing>
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compound: <missing>
formula_title: <missing>
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pub_title:
 High-temperature in situ structural investigation on lead feldspar
 Sample at T = 20 C, single Pb atom model

atoms_sites:
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atoms_aniso_label:
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pub_title:
 High-temperature in situ structural investigation on lead feldspar
 Sample at T = 230 C, single Pb atom model

atoms_sites:
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pub_title:
 High-temperature in situ structural investigation on lead feldspar
 Sample at T = 465 C, single Pb atom model

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pub_title:
 High-temperature in situ structural investigation on lead feldspar
 Sample at T = 700 C, single Pb atom model

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pub_title:
 High-temperature in situ structural investigation on lead feldspar
 Sample at T = 20 C, split Pb atom model

atoms_sites:
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compound: <missing>
formula_title: <missing>
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beta: 115.34
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pub_title:
 High-temperature in situ structural investigation on lead feldspar
 Sample at T = 230 C, split Pb atom model

atoms_sites:
["Pb*", "Pb*", "Si1(O)", "Al1(O)", "Si1(z)", "Al1(z)", "Si2(O)", "Al2(O)", "Si2(z)", "Al2(z)", "OA(1)", "OA(2)", "OB(O)", "OB(z)", "OC(O)", "OC(z)", "OD(O)", "OD(z)"]

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pub_title:
 High-temperature in situ structural investigation on lead feldspar
 Sample at T = 465 C, split Pb atom model

atoms_sites:
["Pb*", "Pb*", "Si1(O)", "Al1(O)", "Si1(z)", "Al1(z)", "Si2(O)", "Al2(O)", "Si2(z)", "Al2(z)", "OA(1)", "OA(2)", "OB(O)", "OB(z)", "OC(O)", "OC(z)", "OD(O)", "OD(z)"]

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pub_title:
 High-temperature in situ structural investigation on lead feldspar
 Sample at T = 700 C, split Pb atom model

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pub_title:
 Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with
 different ordering states
 Sample P600, x(Ti) in M1 = .070, P = 0 GPa

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pub_title:
 Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with
 different ordering states
 Sample P600, x(Ti) in M1 = .070, P = 1.03 GPa

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pub_title:
 Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with
 different ordering states
 Sample P600, x(Ti) in M1 = .070, P = 2.16 GPa

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pub_title:
 Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with
 different ordering states
 Sample P600, x(Ti) in M1 = .070, P = 3.22 GPa

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pub_title:
 Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with
 different ordering states
 Sample P600, x(Ti) in M1 = .070, P = 4.34 GPa

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pub_title:
 Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with
 different ordering states
 Sample P600, x(Ti) in M1 = .070, P = 6.20 GPa

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pub_title:
 Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with
 different ordering states
 Sample P600, x(Ti) in M1 = .070, P = 7.51 GPa

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pub_title:
 Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with
 different ordering states
 Sample P1400, x(Ti) in M1 = .485, P = 0.00 GPa

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pub_title:
 Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with
 different ordering states
 Sample P1400, x(Ti) in M1 = .485, P = 1.03 GPa

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pub_title:
 Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with
 different ordering states
 Sample P1400, x(Ti) in M1 = .485, P = 2.16 GPa

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pub_title:
 Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with
 different ordering states
 Sample P1400, x(Ti) in M1 = .485, P = 3.22 GPa

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pub_title:
 Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with
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 Sample P1400, x(Ti) in M1 = .485, P = 4.34 GPa

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pub_title:
 Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with
 different ordering states
 Sample P1400, x(Ti) in M1 = .485, P = 6.20 GPa

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pub_title:
 Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with
 different ordering states
 Sample P1400, x(Ti) in M1 = .485, P = 7.51 GPa

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pub_title: Structure refinement of birefringent Cr-bearing majorite Mg3(Mg.34Si.34Al.18Cr.14)2Si3O12
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formula: Fe3 O4
compound: <missing>
formula_title: Fe3O4
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b: 9.4097
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alpha: 90
beta: 90
gamma: 90
cell_volume: 249.784
crystal_density: 6.157
atoms_sites: ["Fe2+", "Fe3+", "O1", "O2", "O3"]
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pub_title:
 In situ structure determination of the high-pressure phase of Fe3O4
 Sample data recorded at P = 23.96 GPa, T = = 823 K

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pub_title: A moganite-type phase in the silica analog phosphorus oxynitride
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beta: 90
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pub_title:
 High-resolution synchrotron X-ray powder diffraction and Rietveld structure
 refinement of two (Mg.95,Fe.05)SiO3 perovskite samples synthesized under
 different oxygen fugacity conditions
 Sample PV-A

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beta: 90
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pub_title:
 High-resolution synchrotron X-ray powder diffraction and Rietveld structure
 refinement of two (Mg.95,Fe.05)SiO3 perovskite samples synthesized under
 different oxygen fugacity conditions
 Sample PV-B

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beta: 90
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pub_title:
 A new pyroxene structure at high pressure: Single-crystal X-ray and Raman study
 of the Pbcn - P2_1cn phase transition in protopyroxene
 Sample at P = 0.00 GPa, (Mg1.54Li.23Sc.23)Si2O6

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pub_title:
 A new pyroxene structure at high pressure: Single-crystal X-ray and Raman study
 of the Pbcn - P2_1cn phase transition in protopyroxene
 Sample at P = 1.11 GPa, (Mg1.54Li.23Sc.23)Si2O6

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pub_title:
 A new pyroxene structure at high pressure: Single-crystal X-ray and Raman study
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 Sample at P = 2.03 GPa, (Mg1.54Li.23Sc.23)Si2O6

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pub_title:
 A new pyroxene structure at high pressure: Single-crystal X-ray and Raman study
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 Sample at P = 2.50 GPa, (Mg1.54Li.23Sc.23)Si2O6

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pub_title:
 A new pyroxene structure at high pressure: Single-crystal X-ray and Raman study
 of the Pbcn - P2_1cn phase transition in protopyroxene
 Sample at P = 4.22 GPa, (Mg1.54Li.23Sc.23)Si2O6

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pub_title:
 A new pyroxene structure at high pressure: Single-crystal X-ray and Raman study
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pub_title:
 A new pyroxene structure at high pressure: Single-crystal X-ray and Raman study
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 Sample at P = 7.93 GPa, (Mg1.54Li.23Sc.23)Si2O6

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pub_title:
 A new pyroxene structure at high pressure: Single-crystal X-ray and Raman study
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 Sample at P = 9.98 GPa, (Mg1.54Li.23Sc.23)Si2O6

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pub_title:
 Composition, stability, and structure of a new member of the aenigmatite group,
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pub_title:
 Effect of isovalent Si,Ti substitution on the bulk moduli of Ca(Ti1-xSix)SiO5
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pub_title:
 Effect of isovalent Si,Ti substitution on the bulk moduli of Ca(Ti1-xSix)SiO5
 titanites
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pub_title:
 Effect of isovalent Si,Ti substitution on the bulk moduli of Ca(Ti1-xSix)SiO5
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pub_title:
 Effect of isovalent Si,Ti substitution on the bulk moduli of Ca(Ti1-xSix)SiO5
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pub_title:
 Effect of isovalent Si,Ti substitution on the bulk moduli of Ca(Ti1-xSix)SiO5
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pub_title:
 Thermodynamics and kinetics of cation ordering in MgAl2O4 spinel up to 1600 C
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 Data collected at IPNS, Argonne National Laboratory,
 T = 299 K on heating cycle, MgAl2O4

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pub_title:
 Thermodynamics and kinetics of cation ordering in MgAl2O4 spinel up to 1600 C
 from in situ neutron diffraction
 Data collected at IPNS, Argonne National Laboratory,
 T = 683 K on heating cycle, MgAl2O4

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pub_title:
 Thermodynamics and kinetics of cation ordering in MgAl2O4 spinel up to 1600 C
 from in situ neutron diffraction
 Data collected at IPNS, Argonne National Laboratory,
 T = 707 K on heating cycle, MgAl2O4

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pub_title:
 Thermodynamics and kinetics of cation ordering in MgAl2O4 spinel up to 1600 C
 from in situ neutron diffraction
 Data collected at IPNS, Argonne National Laboratory,
 T = 766 K on heating cycle, MgAl2O4

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pub_title:
 Thermodynamics and kinetics of cation ordering in MgAl2O4 spinel up to 1600 C
 from in situ neutron diffraction
 Data collected at IPNS, Argonne National Laboratory,
 T = 837 K on heating cycle, MgAl2O4

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pub_title:
 Thermodynamics and kinetics of cation ordering in MgAl2O4 spinel up to 1600 C
 from in situ neutron diffraction
 Data collected at IPNS, Argonne National Laboratory,
 T = 903 K on heating cycle, MgAl2O4

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pub_title:
 Thermodynamics and kinetics of cation ordering in MgAl2O4 spinel up to 1600 C
 from in situ neutron diffraction
 Data collected at IPNS, Argonne National Laboratory,
 T = 969 K on heating cycle, MgAl2O4

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pub_title:
 Thermodynamics and kinetics of cation ordering in MgAl2O4 spinel up to 1600 C
 from in situ neutron diffraction
 Data collected at IPNS, Argonne National Laboratory,
 T = 1035 K on heating cycle, MgAl2O4

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pub_title:
 Thermodynamics and kinetics of cation ordering in MgAl2O4 spinel up to 1600 C
 from in situ neutron diffraction
 Data collected at IPNS, Argonne National Laboratory,
 T = 1100 K on heating cycle, MgAl2O4

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pub_title:
 Thermodynamics and kinetics of cation ordering in MgAl2O4 spinel up to 1600 C
 from in situ neutron diffraction
 Data collected at IPNS, Argonne National Laboratory,
 T = 1164 K on heating cycle, MgAl2O4

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pub_title:
 Thermodynamics and kinetics of cation ordering in MgAl2O4 spinel up to 1600 C
 from in situ neutron diffraction
 Data collected at IPNS, Argonne National Laboratory,
 T = 1228 K on heating cycle, MgAl2O4

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pub_title:
 Thermodynamics and kinetics of cation ordering in MgAl2O4 spinel up to 1600 C
 from in situ neutron diffraction
 Data collected at IPNS, Argonne National Laboratory,
 T = 1291 K on heating cycle, MgAl2O4

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pub_title:
 Thermodynamics and kinetics of cation ordering in MgAl2O4 spinel up to 1600 C
 from in situ neutron diffraction
 Data collected at IPNS, Argonne National Laboratory,
 T = 1355 K on heating cycle, MgAl2O4

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pub_title:
 Thermodynamics and kinetics of cation ordering in MgAl2O4 spinel up to 1600 C
 from in situ neutron diffraction
 Data collected at IPNS, Argonne National Laboratory,
 T = 1418 K on heating cycle, MgAl2O4

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pub_title:
 Thermodynamics and kinetics of cation ordering in MgAl2O4 spinel up to 1600 C
 from in situ neutron diffraction
 Data collected at IPNS, Argonne National Laboratory,
 T = 1481 K on heating cycle, MgAl2O4

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pub_title:
 Thermodynamics and kinetics of cation ordering in MgAl2O4 spinel up to 1600 C
 from in situ neutron diffraction
 Data collected at IPNS, Argonne National Laboratory,
 T = 1544 K on heating cycle, MgAl2O4

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pub_title:
 Thermodynamics and kinetics of cation ordering in MgAl2O4 spinel up to 1600 C
 from in situ neutron diffraction
 Data collected at IPNS, Argonne National Laboratory,
 T = 1606 K on heating cycle, MgAl2O4

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pub_title:
 Thermodynamics and kinetics of cation ordering in MgAl2O4 spinel up to 1600 C
 from in situ neutron diffraction
 Data collected at IPNS, Argonne National Laboratory,
 T = 1644 K on heating cycle, MgAl2O4

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pub_title:
 Thermodynamics and kinetics of cation ordering in MgAl2O4 spinel up to 1600 C
 from in situ neutron diffraction
 Data collected at IPNS, Argonne National Laboratory,
 T = 1662 K on heating cycle, MgAl2O4

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pub_title:
 Thermodynamics and kinetics of cation ordering in MgAl2O4 spinel up to 1600 C
 from in situ neutron diffraction
 Data collected at IPNS, Argonne National Laboratory,
 T = 1650 K on cooling cycle, MgAl2O4

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pub_title:
 Thermodynamics and kinetics of cation ordering in MgAl2O4 spinel up to 1600 C
 from in situ neutron diffraction
 Data collected at IPNS, Argonne National Laboratory,
 T = 1595 K on cooling cycle, MgAl2O4

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pub_title:
 Thermodynamics and kinetics of cation ordering in MgAl2O4 spinel up to 1600 C
 from in situ neutron diffraction
 Data collected at IPNS, Argonne National Laboratory,
 T = 1532 K on cooling cycle, MgAl2O4

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