# cif

formula: Na Fe3 S2 O20 H6
compound: Londonderry Li deposit, Nepean, Western Australia, Australia
formula_title: <missing>
a: 7.2791
b: 7.2791
c: 16.2837
alpha: 90
beta: 90
gamma: 120
cell_volume: 747.204
crystal_density: 3.872
atoms_sites: ["Na", "Fe", "S", "O1", "O2", "O-H3"]
atoms_x: AAAAAMjcMgCrsCgAq7AoAIBpLwDQvgcA
atoms_y: AAAAADgsCgBVWBQAVVgUAACTDQAQfA8A
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pub_title:
 The alunite supergroup under high pressure: the case of natrojarosite,
 NaFe3(SO4)2(OH)6
 Note: P = 1.738 GPa

qdat:
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formula: Na Fe3 S2 O14 H6
compound: Londonderry Li deposit, Nepean, Western Australia, Australia
formula_title: <missing>
a: 7.2473
b: 7.2473
c: 16.0061
alpha: 90
beta: 90
gamma: 120
cell_volume: 728.062
crystal_density: 3.316
atoms_sites: ["Na", "Fe", "S", "O1", "O2", "O-H3"]
atoms_x: AAAAAMjcMgCrsCgAq7AoAFBxLwDgzAcA
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pub_title:
 The alunite supergroup under high pressure: the case of natrojarosite,
 NaFe3(SO4)2(OH)6
 Note: P = 3.368 GPa

qdat:
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formula: Na Fe3 S2 O14 H6
compound: Londonderry Li deposit, Nepean, Western Australia, Australia
formula_title: <missing>
a: 7.2205
b: 7.2205
c: 15.9139
alpha: 90
beta: 90
gamma: 120
cell_volume: 718.525
crystal_density: 3.360
atoms_sites: ["Na", "Fe", "S", "O1", "O2", "O-H3"]
atoms_x: AAAAAMjcMgCrsCgAq7AoAEB8LwBwtQcA
atoms_y: AAAAADgsCgBVWBQAVVgUAMCMDQBwbA8A
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 The alunite supergroup under high pressure: the case of natrojarosite,
 NaFe3(SO4)2(OH)6
 Note: P = 4.729 GPa

qdat:
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formula: Na Fe3 S2 O14 H6
compound: Londonderry Li deposit, Nepean, Western Australia, Australia
formula_title: <missing>
a: 7.2049
b: 7.2049
c: 15.8254
alpha: 90
beta: 90
gamma: 120
cell_volume: 711.445
crystal_density: 3.394
atoms_sites: ["Na", "Fe", "S", "O1", "O2", "O-H3"]
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pub_title:
 The alunite supergroup under high pressure: the case of natrojarosite,
 NaFe3(SO4)2(OH)6
 Note: P = 5.701 GPa

qdat:
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formula: Na Fe3 S2 O14 H6
compound: Londonderry Li deposit, Nepean, Western Australia, Australia
formula_title: <missing>
a: 7.1960
b: 7.1960
c: 15.7640
alpha: 90
beta: 90
gamma: 120
cell_volume: 706.935
crystal_density: 3.416
atoms_sites: ["Na", "Fe", "S", "O1", "O2", "O-H3"]
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pub_title:
 The alunite supergroup under high pressure: the case of natrojarosite,
 NaFe3(SO4)2(OH)6
 Note: P = 6.454 GPa

qdat:
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formula: Na Fe3 S2 O14 H6
compound: Londonderry Li deposit, Nepean, Western Australia, Australia
formula_title: <missing>
a: 7.1594
b: 7.1594
c: 15.6003
alpha: 90
beta: 90
gamma: 120
cell_volume: 692.495
crystal_density: 3.487
atoms_sites: ["Na", "Fe", "S", "O1", "O2", "O-H3"]
atoms_x: AAAAAMjcMgCrsCgAq7AoAGCYLwDAyQcA
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pub_title:
 The alunite supergroup under high pressure: the case of natrojarosite,
 NaFe3(SO4)2(OH)6
 Note: P = 8.779 GPa

qdat:
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formula: Tl8 Pb4.01 Sb15.99 As24 S68
compound: Lengenbach quarry, Binntal, Canton Valais, Switzerland
formula_title: <missing>
a: 16.218
b: 42.546
c: 8.58
alpha: 95.70
beta: 90.18
gamma: 96.38
cell_volume: 5853.937
crystal_density: 4.761
atoms_aniso_label: "<missing>"
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pub_title:
 The crystal structure of dalnegroite, Tl5-xPb2x(As,Sb)21-xS34:
 a masterpiece of structural complexity

atoms_sites:
["Tl1", "Tl2", "Tl3", "Tl4", "Tl5", "Tl6", "Tl7", "Tl8", "Tl9", "Tl10", "Tl11", "Tl12", "Tl13", "Tl14", "Tl15", "Tl16", "Pb1", "Sb1", "Pb2", "Sb2", "Pb3", "Sb3", "Pb4", "Sb4", "Pb5", "Sb5", "Pb6", "Pb7", "Pb8", "Sb8", "Sb1", "Pb1", "Sb2", "Pb2", "Sb3", "Pb3", "Sb4", "Pb4", "Sb5", "Pb5", "Sb6", "Pb6", "Sb7", "Pb7", "Sb8", "Pb8", "Sb9", "Pb9", "Sb10", "Pb10", "Sb11", "Sb12", "Sb13", "Sb14", "Pb14", "Sb15", "Sb16", "Pb16", "Sb17", "Sb18", "Sb19", "Sb20", "Sb21", "Sb22", "Sb23", "Sb24", "Sb25", "Sb26", "Sb27", "Sb28", "Sb29", "Sb30", "Sb31", "Sb32", "As1", "As2", "As3", "As4", "As5", "As6", "As7", "As8", "As9", "As10", "As11", "As12", "As13", "As14", "As15", "As16", "As17", "As18", "As19", "As20", "As21", "As22", "As23", "As24", "As25", "As26", "As27", "As28", "As29", "As30", "As31", "As32", "As33", "As34", "As35", "As36", "As37", "As38", "As39", "As40", "As41", "As42", "As43", "As44", "As45", "As46", "As47", "As48", "S1", "S2", "S3", "S4", "S5", "S6", "S7", "S8", "S9", "S10", "S11", "S12", "S13", "S14", "S15", "S16", "S17", "S18", "S19", "S20", "S21", "S22", "S23", "S24", "S25", "S26", "S27", "S28", "S29", "S30", "S31", "S32", "S33", "S34", "S35", "S36", "S37", "S38", "S39", "S40", "S41", "S42", "S43", "S44", "S45", "S46", "S47", "S48", "S49", "S50", "S51", "S52", "S53", "S54", "S55", "S56", "S57", "S58", "S59", "S60", "S61", "S62", "S63", "S64", "S65", "S66", "S67", "S68", "S69", "S70", "S71", "S72", "S73", "S74", "S75", "S76", "S77", "S78", "S79", "S80", "S81", "S82", "S83", "S84", "S85", "S86", "S87", "S88", "S89", "S90", "S91", "S92", "S93", "S94", "S95", "S96", "S97", "S98", "S99", "S100", "S101", "S102", "S103", "S104", "S105", "S106", "S107", "S108", "S109", "S110", "S111", "S112", "S113", "S114", "S115", "S116", "S117", "S118", "S119", "S120", "S121", "S122", "S123", "S124", "S125", "S126", "S127", "S128", "S129", "S130", "S131", "S132", "S133", "S134", "S135", "S136"]

atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

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qdat:
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formula: K Ba Fe1.633 Mg6.267 Al.1 Si8 O24 H2 F6
compound: Eldor carbonatite complex, Labrador Trough, Quebec, Canada
formula_title: <missing>
a: 18.9506
b: 22.5045
c: 5.2780
alpha: 90
beta: 90
gamma: 90
cell_volume: 2250.928
crystal_density: 3.386
pub_title:
 Crystal structure and topological affinities of magbasite,
 KBaFe3+Mg7Si8O22(OH)2F6: a trellis structure related to amphibole and carpholite

atoms_sites:
["KA", "BaB", "Fe1", "Mg1", "Mg2", "Fe2", "Mg3", "Fe3", "Mg4", "Fe4", "Al5", "Fe5", "Si1", "Si2", "O2", "O3", "O4", "O5", "O6", "O7", "O1", "H", "F1", "F2"]

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formula: Ba Mn2 Ti Si2 O10 H2
compound: Inyl'chek ridge, southeast Kirgiziya
pub_title: Crystal structures of two modifications of natural Ba, Mn-titanosilicate Note: sample I
formula_title: <missing>
a: 5.361
b: 6.906
c: 12.556
alpha: 90
beta: 119.8
gamma: 90
cell_volume: 403.391
crystal_density: 4.226
atoms_sites: ["Ba", "Mn1", "Mn2", "Ti", "Si", "O1", "O-H2", "O-H3", "O4", "O5", "O6", "O7"]
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qdat:
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formula: Ba Mn2 Ti Si2 O10 H2
compound: Inyl'chek ridge, southeast Kirgiziya
pub_title: Crystal structures of two modifications of natural Ba, Mn-titanosilicate Note: sample II
formula_title: <missing>
a: 10.7232
b: 13.812
c: 12.563
alpha: 90
beta: 119.9
gamma: 90
cell_volume: 1613.027
crystal_density: 4.227
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
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atoms_sites:
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formula: Pb21 Si18 O57
compound: Synthetic
formula_title: Pb21[Si7O22]2[Si4O13]
a: 9.9244
b: 9.9244
c: 34.2357
alpha: 90
beta: 90
gamma: 120
cell_volume: 2920.239
crystal_density: 6.561
pub_title:
 Structural complexity of lead silicates: Crystal structure of
 Pb21[Si7O22]2[Si4O13] and its comparison to hyttsjoite

atoms_sites:
["Pb1", "Pb2", "Pb3", "Pb4", "Pb5", "Pb6", "Pb6A", "Si1", "Si2", "Si3", "Si4", "Si5", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12"]

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atoms_aniso_label:
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formula: Mg.135 Fe1.929 Ti.94 O4
compound: Synthetic
pub_title: Crystal chemistry of the ulvospinel-qandilite series. Note: sample T1
formula_title: <missing>
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formula: Mg.531 Fe1.511 Ti.96 O4
compound: Synthetic
pub_title: Crystal chemistry of the ulvospinel-qandilite series. Note: sample T3
formula_title: <missing>
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alpha: 90
beta: 90
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formula: Mg.79 Fe1.228 Ti.98 O4
compound: Synthetic
pub_title: Crystal chemistry of the ulvospinel-qandilite series. Note: sample T4
formula_title: <missing>
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b: 8.5021
c: 8.5021
alpha: 90
beta: 90
gamma: 90
cell_volume: 614.580
crystal_density: 4.295
atoms_sites: ["MgT", "FeT", "MgM", "FeM", "TiM", "O"]
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formula: (Ca.74 Na.26) Li.39 Al3.44 Si2.29 Be.16 O12 H1.66
compound: the Harding pegmatite, Picuris Range, New Mexico, USA
formula_title: <missing>
a: 5.0864
b: 8.8186
c: 19.1098
alpha: 90
beta: 95.445
gamma: 90
cell_volume: 853.301
crystal_density: 3.040
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pub_title:
 A single-crystal neutron and X-ray diffraction study of a Li,Be-bearing brittle mica
 Note: X-ray, T = 100 K

atoms_sites:
["Ca", "Na", "LiM1", "AlM2", "SiT1", "BeT1", "AlT2", "SiT2", "BeT2", "O1", "O2", "O3", "O4", "O5", "O6", "H1", "H2"]

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formula: (Ca.771 Na.229) Li.413 Al3.756 Be.244 Si2 O12 H1.69
compound: the Harding pegmatite, Picuris Range, New Mexico, USA
formula_title: <missing>
a: 5.0864
b: 8.8186
c: 19.1098
alpha: 90
beta: 95.445
gamma: 90
cell_volume: 853.301
crystal_density: 3.055
pub_title:
 A single-crystal neutron and X-ray diffraction study of a Li,Be-bearing brittle mica
 Note: X-ray, T = 100 K

atoms_sites:
["Ca", "Na", "LiM1", "AlM2", "AlM3", "AlT1", "BeT1", "SiT2", "SiT3", "AlT4", "BeT4", "O1", "O11", "O2", "O22", "O3", "O33", "O4", "O44", "O5", "O55", "O6", "O66", "H1", "H2", "H3", "H4"]

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formula: (Ca.81 Na.19) Li.291 Al3.864 Si1.904 Be.16 O12 H1.672
compound: the Harding pegmatite, Picuris Range, New Mexico, USA
formula_title: <missing>
a: 5.0590
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c: 19.0176
alpha: 90
beta: 95.459
gamma: 90
cell_volume: 841.937
crystal_density: 3.090
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pub_title:
 A single-crystal neutron and X-ray diffraction study of a Li,Be-bearing brittle mica
 Note: Neutron, T = 20 K

atoms_sites:
["Ca", "Na", "LiM1", "AlM2", "AlT1", "SiT1", "BeT1", "AlT2", "SiT2", "BeT2", "O1", "O2", "O3", "O4", "O5", "O6", "H1", "H2"]

atoms_aniso_label:
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formula: (Ca.79 Na.21) Li.266 Al3.89 Be.11 Si2 O12 H1.69
compound: the Harding pegmatite, Picuris Range, New Mexico, USA
formula_title: <missing>
a: 5.0590
b: 8.7909
c: 19.0176
alpha: 90
beta: 95.459
gamma: 90
cell_volume: 841.937
crystal_density: 3.110
atoms_aniso_label: ["Ca", "Na"]
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atoms_aniso_u12: cBcAAHAXAAA=
atoms_aniso_u13: MBEAADARAAA=
atoms_aniso_u23: IAMAACADAAA=
pub_title:
 A single-crystal neutron and X-ray diffraction study of a Li,Be-bearing brittle mica
 Note: Neutron, T = 20 K

atoms_sites:
["Ca", "Na", "LiM1", "AlM2", "AlM3", "AlT1", "BeT1", "SiT2", "SiT3", "AlT4", "BeT4", "O1", "O11", "O2", "O22", "O3", "O33", "O4", "O44", "O5", "O55", "O6", "O66", "H1", "H2", "H3", "H41"]

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formula: K (Fe2.662 Al.338) P6 O30 H20.001
compound: Synthetic
pub_title: Crystal structure and magnetic property of synthetic gengenbachite, KH8(Fe2.66Al0.34)(PO4)6*6H2O
formula_title: <missing>
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b: 9.044
c: 16.706
alpha: 90
beta: 90
gamma: 120
cell_volume: 1183.380
crystal_density: 2.478
atoms_sites:
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formula: (Mg.931 Cr.138) Si.931 O3
compound: Synthetic
formula_title: <missing>
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alpha: 90
beta: 90
gamma: 90
cell_volume: 164.547
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atoms_sites: ["Mg", "Cr1", "Cr2", "Si", "O1", "O2"]
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pub_title:
 Chromium solubility in perovskite at high pressure: The structure of
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formula: Fe2.42 Ni.52 Cr.03 Al.01 Co.02 O4
compound: Bon Accord, South Africa
formula_title: <missing>
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alpha: 90
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cell_volume: 584.822
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pub_title:
 Trevorite: Ni-rich spinel formed by metasomatism and desulfurization processes
 at Bon Accord, South Africa?

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formula_title: BaYb6(Si2O7)2(Si3O10)
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cell_volume: 981.601
crystal_density: 5.942
atoms_occupancy: 0
pub_title:
 BaYb6(Si2O7)2(Si3O10) - the first silicate containing both
 Si2O7 and Si3O10 groups: synthesis, crystal chemistry and topology

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formula: Cu5 As O15 H8
compound: Majuba Hill, Nevada, USA
formula_title: <missing>
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c: 14.932
alpha: 90
beta: 90
gamma: 90
cell_volume: 641.152
crystal_density: 3.319
atoms_aniso_label: ["Cu1", "Cu2", "Cu3", "Cu4", "Cu5", "Cu6", "As1", "As2"]
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pub_title:
 The crystal structure of parnauite: a copper arsenate-sulphate
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formula: Cu2.5 As.5 O6.575 H2.15
compound: Cap Garonne, Var, France
formula_title: <missing>
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c: 14.890
alpha: 90
beta: 90
gamma: 90
cell_volume: 636.712
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atoms_aniso_label: ["Cu1", "Cu2", "Cu3", "Cu4", "Cu5", "Cu6", "As1", "As2"]
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pub_title:
 The crystal structure of parnauite: a copper arsenate-sulphate
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atoms_sites:
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formula: As Cu4.5 O15.25 S.5
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pub_title:
 The crystal structure of parnauite: a copper arsenate-sulphate
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 Note: theoretical data

atoms_sites:
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formula: Ba.507 Mn3.492 Fe.508 O8
compound: Apuan Alps, Tuscany, Italy
formula_title: <missing>
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pub_title:
 Ferrihollandite, BaMn4+6Fe3+2O16, from Apuan Alps, Tuscany, Italy:
 description and crystal structure

atoms_sites:
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formula: (Ba.5 Sr.5) Cu Si4 O10
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c: 15.396
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cell_volume: 819.509
crystal_density: 3.634
atoms_sites: ["Ba", "Sr", "Cu", "Si", "O1", "O2", "O3"]
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pub_title:
 Equation of state and a high-pressure structural phase transition
 in the gillespite-structured phase Ba0.5Sr0.5CuSi4O10
 Note: P = 4.13 GPa

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formula: (Ba.5 Sr.5) Cu Si4 O10
compound: Synthetic
formula_title: <missing>
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b: 7.2623
c: 15.252
alpha: 90
beta: 90
gamma: 90
cell_volume: 804.406
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pub_title:
 Equation of state and a high-pressure structural phase transition
 in the gillespite-structured phase Ba0.5Sr0.5CuSi4O10
 Note: P = 4.77 GPa

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formula: Fe2 C O5 H2
compound: Synthetic
formula_title: <missing>
a: 12.5
b: 9.5
c: 3.2
alpha: 90
beta: 97.6
gamma: 90
cell_volume: 376.662
crystal_density: 3.628
atoms_sites: ["Fe1", "Fe2", "C1", "O1", "O2", "O3", "O-H4", "O-H5"]
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pub_title:
 A multi-technique, micrometer- to atomic-scale description of
 a synthetic analogue of chukanovite, Fe2(CO3)(OH)2

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formula: Ca.06 Na.64 Al5.7 Cr.72 Fe.18 Mg2.52 Si5.88 B3 O31 H3.96
compound: Shabrovskoe ore district, Middle Urals, Russia
pub_title: Ion substitutions and structural adjustment in Cr-bearing tourmalines Note: Sample 1
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pub_title: Ion substitutions and structural adjustment in Cr-bearing tourmalines Note: Sample 2
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compound: Shabrovskoe ore district, Middle Urals, Russia
pub_title: Ion substitutions and structural adjustment in Cr-bearing tourmalines Note: Sample 3
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compound: Umba Valley, Tanzania
pub_title: Ion substitutions and structural adjustment in Cr-bearing tourmalines Note: Sample 4
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pub_title: Hydrogen bonding in the crystal structure of legrandite: Zn2(AsO4)(OH)(H2O)
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pub_title:
 Vapnikite Ca3UO6 - a new double-perovskite mineral from pyrometamorphic larnite
 rocks of the Jabel Harum, Palestinian Autonomy, Israel

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pub_title: Crystal structure and chemistry of skarn-associated bismuthian vesuvianite
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compound: Synthetic
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compound: Synthetic
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compound: Synthetic
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formula: Pb O2
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pub_title:
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pub_title:
 Is near-endmember birefringent grossular non-cubic?
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pub_title:
 Is near-endmember birefringent grossular non-cubic?
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pub_title:
 Is near-endmember birefringent grossular non-cubic?
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pub_title:
 Is near-endmember birefringent grossular non-cubic?
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pub_title:
 Is near-endmember birefringent grossular non-cubic?
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pub_title:
 Is near-endmember birefringent grossular non-cubic?
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 Note: sample 3, Tanzania phase-2

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pub_title:
 Is near-endmember birefringent grossular non-cubic?
 New evidence from synchrotron diffraction
 Note: sample 4, Afghanistan single-phase

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pub_title:
 Fluorophlogopite from Piano delle Concazze (Mt. Etna, Italy): Crystal chemistry
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 Note: Sample E0

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compound: Piano delle Concazze, Mt. Etna, Italy
formula_title: <missing>
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alpha: 90
beta: 100.185
gamma: 90
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pub_title:
 Fluorophlogopite from Piano delle Concazze (Mt. Etna, Italy): Crystal chemistry
 and implications for the crystallization conditions
 Note: Sample E1

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formula_title: <missing>
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pub_title:
 Fluorophlogopite from Piano delle Concazze (Mt. Etna, Italy): Crystal chemistry
 and implications for the crystallization conditions
 Note: Sample E2

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compound: Piano delle Concazze, Mt. Etna, Italy
formula_title: <missing>
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pub_title:
 Fluorophlogopite from Piano delle Concazze (Mt. Etna, Italy): Crystal chemistry
 and implications for the crystallization conditions
 Note: Sample E3

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formula: Ca2 Cu9 As4 S.52 O37.18 H24.96
compound: Nanniping mine, Dongchuan district, Yunnan Province, China
formula_title: <missing>
a: 54.490
b: 5.5685
c: 10.4690
alpha: 90
beta: 96.294
gamma: 90
cell_volume: 3157.436
crystal_density: 3.342
atoms_u_iso: 0
pub_title:
 Tangdanite, a new mineral species from the Yunnan Province, China
 and the discreditation of 'clinotyrolite'

atoms_sites:
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formula: K1.55 Ca.6 Mn.89 Ti3.9 Nb.1 Si8 O32.9 Ba.1 H9.8
compound: Khibiny alkaline massif, Kola peninsula, Russia
pub_title: Crystal structure and microtwinning of a calcium-rich analogue of labuntsovite
formula_title: <missing>
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b: 13.887
c: 7.814
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gamma: 90
cell_volume: 1384.418
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compound: Buca della Vena mine, Apuan Alps, Tuscany, Italy
formula_title: <missing>
a: 10.3719
b: 10.3719
c: 20.8752
alpha: 90
beta: 90
gamma: 120
cell_volume: 1944.813
crystal_density: 4.691
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formula:
Sr.533 La.176 Pb.105 Na.03 Ca.026 U.407 Ce.101 Y.205 Mn.072 Fe5.42 Ti12.42 Cr1.62 V.18 Al.036 Sn.018 Nb.018 O38

pub_title:
 Mapiquiroite, (Sr,Pb)(U,Y)Fe2(Ti,Fe3+)18O38, a new member
 of the crichtonite group from the Apuan Alps, Tuscany, Italy

atoms_sites:
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compound: Monte Arsiccio mine, Apuan Alps, Tuscany, Italy
formula_title: <missing>
a: 10.3854
b: 10.3854
c: 20.8942
alpha: 90
beta: 90
gamma: 120
cell_volume: 1951.654
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formula:
Sr.312 Pb.248 Na.019 Ca.014 La.009 U.858 Y.07 Ce.021 Mn.005 Fe6.682 Zn.304 Ti12.078 V.378 Al.036 Nb.036 Cr.018 Sn18 O38

pub_title:
 Mapiquiroite, (Sr,Pb)(U,Y)Fe2(Ti,Fe3+)18O38, a new member
 of the crichtonite group from the Apuan Alps, Tuscany, Italy

atoms_sites:
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formula: Na Cr Si2 O6
compound: Synthetic
pub_title: High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor Note: P = 2.1 GPa
formula_title: <missing>
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c: 5.2411
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gamma: 90
cell_volume: 413.156
crystal_density: 3.652
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formula: Na Cr Si2 O6
compound: Synthetic
pub_title: High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor Note: P = 18.5 GPa
formula_title: <missing>
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alpha: 90
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gamma: 90
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formula: Na Cr Si2 O6
compound: Synthetic
pub_title: High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor Note: P = 31.3 GPa
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formula: Na Cr Si2 O6
compound: Synthetic
pub_title: High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor Note: P = 35.3 GPa
formula_title: <missing>
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pub_title: The crystal chemistry of the graftonite-beusite minerals Notes: Sample B1
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pub_title: The crystal chemistry of the graftonite-beusite minerals Notes: Sample B2
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pub_title: The crystal chemistry of the graftonite-beusite minerals Notes: Sample B3
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pub_title: The crystal chemistry of the graftonite-beusite minerals Notes: Sample B4
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formula: Ca.58 Mn.61 Fe1.65 Mg.15 Zn.01 P2 O8
compound: Palermo mine, Grafton Co., New Hampshire, USA
pub_title: The crystal chemistry of the graftonite-beusite minerals Notes: Sample B5
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formula: Ca.57 Mn.81 Fe1.59 Mg.02 Zn.01 P2 O8
compound: Mwami district, Hurungwe, Zimbabwe
pub_title: The crystal chemistry of the graftonite-beusite minerals Notes: Sample B6
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formula: Mn1.01 Ca.37 Fe1.51 Mg.11 P2 O8
compound: East Alstead, New Hampshire, USA
formula_title: <missing>
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b: 11.5131
c: 6.1372
alpha: 90
beta: 99.243
gamma: 90
cell_volume: 614.221
crystal_density: 3.755
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pub_title:
 The crystal chemistry of the graftonite-beusite minerals
 Notes: Sample B7
 Note: O7 y-coordinate edited by author

atoms_sites:
["Mn(1)", "Ca(1)", "Fe(1)", "Mg(1)", "Fe(2)", "Mn(2)", "P(1)", "P(2)", "O(1)", "O(2)", "O(3)", "O(4)", "O(5)", "O(6)", "O(7)", "O(8)"]

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formula: (Ca1.52 Na.48) (Al.5 Fe.3 Mg.2) Si2 O7
compound: Oldoinyo Lengai, northern Tanzania
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pub_title:
 Alumoakermanite, (Ca,Na)2(Al,Mg,Fe2+)(Si2O7), a new mineral from the active
 carbonatite-nephelinite-phonolite volcano Oldoinyo Lengai, northern Tanzania

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pub_title: Rubidium pentaborate tetrahydrate, Rb[B5O6(OH)4]*2H2O Loclaity: synthetic
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formula: Cu6 As4 S9
compound: Lengenbach Quarry, Binn Valley, Switzerland
formula_title: <missing>
a: 9.103
b: 9.860
c: 9.111
alpha: 90.27
beta: 109.53
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pub_title:
 Sinnerite, Cu6As4S9, from the Lengenbach Quarry, Binn Valley, Switzerland:
 Description and re-investigation of the crystal structure

atoms_sites:
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formula: Ce4 (Ti1.52 Nb.48) Si2 O25.68 C4 Ca.62 H3.36
compound: Khibiny alkaline massif, Kola Peninsula, Russia
formula_title: <missing>
a: 5.009
b: 7.533
c: 15.407
alpha: 103.061
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gamma: 109.285
cell_volume: 531.839
crystal_density: 3.813
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pub_title:
 Kihlmanite-(Ce), Ce2TiO2[SiO4](HCO3)2(H2O), a new rare-earth mineral from
 the pegmatites of the Khibiny alkaline massif, Kola Peninsula, Russia

atoms_sites:
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pub_title: The crystal structure of beta-zinc selenite
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formula: (Ca10.34 Mg.66) Si4 O18 S
compound: <missing>
pub_title: The peculiarities of the atomic-structure of alinite and jasmundite
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compound: <missing>
pub_title: The peculiarities of the atomic-structure of alinite and jasmundite Note: Cr-bearing material
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formula: Ca9.72 Mg1.28 (Si3 Al) O18 Cl
compound: <missing>
pub_title: The peculiarities of the atomic-structure of alinite and jasmundite Note: Cu, Ni-bearing material
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formula: Ca2 Si O4
compound: Synthetic
formula_title: <missing>
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b: 6.7551
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beta: 94.513
gamma: 90
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pub_title:
 Crystal structure of larnite beta-Ca2SiO4 and specific features
 of polymorphic transitions in dicalcium orthosilicate

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formula: Cu1.918 Ag1.468 Fe.022 Te
compound: the Campbell orebody, Bisbee, Arizona, USA
formula_title: <missing>
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gamma: 90
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pub_title:
 Chemical and structural characterization of henryite, (Cu,Ag)3+xTe2 (x ~ 0.40):
 A new structure type in the (Ag)-Cu-Te system

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formula: Bi2 S2 O9
compound: Synthetic
pub_title: Pyrolysis products of Bi2(SO4)3. II. Crystal structure of Bi2O(SO4)2
formula_title: Bi2O(SO4)2
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formula: Na3 Y C3 O15 H12
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gamma: 120
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pub_title:
 Hydrothermal sythesis, crystal structure, thermal behaviour,
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pub_title: Discovery of bridgmanite, the most abundant mineral in Earth, in a shocked meteorite
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pub_title: Synthesis and crystal structure of low ferrialuminosilicate sanidine
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pub_title:
 The relation between Li <-> Na substitution and hydrogen bonding in five-periodic
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 The relation between Li <-> Na substitution and hydrogen bonding in five-periodic
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pub_title:
 The relation between Li <-> Na substitution and hydrogen bonding in five-periodic
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formula: K Ti As O5
compound: Synthetic
pub_title: Structure and non-linear optical properties of KTiOAsO4
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formula: Mn Sn O6 H6
compound: Langban, Sweden
pub_title: Crystal structure of tetrawickmanite, Mn2+Sn4+(OH)6
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formula: Ca Cl2 O4
compound: Synthetic
pub_title: Crystal structure of calcium chloride tetrahydrate
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formula: Na (Mn1.9 Fe.1) Si3 B O11 H2
compound: Poudrette quarry, Monteregie, Quebec, Canada
pub_title: Steedeite, NaMn2[Si3BO9](OH)2: characterization, crystal-structure determination, and origin
formula_title: <missing>
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formula: H14.31 O14.77 Na.2 K.02 Fe2.949 Al.03 (S1.97 Si.03)
compound: Cerros Pintados, Iquique Province, Chile
formula_title: <missing>
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pub_title:
 Hydroniumjarosite, (H3O)+Fe3(SO4)2(OH)6, from Cerros Pintados, Chile:
 Single-crystal X-ray diffraction and vibrational spectroscopic study

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formula: (Al.92 Fe.08) Y2.752 Yb.386 Ca1.582 Mn.88 Si4 B4 O24 H2
compound: Heftetjern, Tordal, Telemark, Norway
pub_title: Mn-bearing hellandite-(Y) from the Heftetjern pegmatite, Tordal, Norway
formula_title: <missing>
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pub_title:
 A very short, and asymmetrical, hydrogen bond in the structure of Na3H(SO4)2
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pub_title: Hexaferrum (Fe,Ru),(Fe,Os),(Fe,Ir) - a new mineral Note: sample 48-126
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pub_title: Hexaferrum (Fe,Ru),(Fe,Os),(Fe,Ir) - a new mineral Note: sample 117-8
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pub_title: Hexaferrum (Fe,Ru),(Fe,Os),(Fe,Ir) - a new mineral Note: sample 6-0662
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formula: N2 H20 Ni S2 O14
compound: Synthetic
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pub_title:
 The crystal structure of Tutton's salts. II.
 Magnesium ammonium sulfate hexahydrate and nickel ammonium sulfate hexahydrate

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pub_title:
 The crystal structure of Tutton's salts. II.
 Magnesium ammonium sulfate hexahydrate and nickel ammonium sulfate hexahydrate

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formula: (Pb.997 Fe.003) Cr O4
compound: Red Lead mine, Dundas, Tasmania, Australia
formula_title: <missing>
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pub_title:
 Effects of high-pressure on the structural, vibrational, and electronic
 properties of monzanite-type PbCrO4

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pub_title:
 Refinement of the crystal structure of zoned philipsbornite-hidalgoite from the
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pub_title:
 Crystal structure of the high-pressure phase of calcium hydroxide, portlandite:
 In situ powder and single crystal X-ray diffraction study
 Note: P = 8.9 GPa

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pub_title:
 A comparison of the Ca3(PO4)2 and CaSiO3 systems, with a new structure refinement
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formula: Pb4.695 Ca.01 P2.913 O12 Cl.956
compound: Daoping mine, Guangxi, China
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pub_title:
 Relationships among channel typology and atomic displacements in the structures
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formula: Pb4.695 Ca.01 P2.913 O12 Cl.956
compound: Daoping mine, Guangxi, China
formula_title: <missing>
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b: 9.9791
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beta: 90
gamma: 120
cell_volume: 633.345
crystal_density: 6.761
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pub_title:
 Relationships among channel typology and atomic displacements in the structures
 of Pb5(BO4)3Cl with B = P (pyromorphite), V (vanadinite), and As (mimetite)

qdat:
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formula: Pb4.51 V2.976 P.012 O12 Cl.915
compound: Mibladen, Morocco
formula_title: <missing>
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b: 10.3231
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beta: 90
gamma: 120
cell_volume: 677.394
crystal_density: 6.427
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pub_title:
 Relationships among channel typology and atomic displacements in the structures
 of Pb5(BO4)3Cl with B = P (pyromorphite), V (vanadinite), and As (mimetite)

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formula: Pb4.51 V2.976 P.012 O12 Cl.915
compound: Mibladen, Morocco
formula_title: <missing>
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cell_volume: 677.284
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formula: Pb5 As2.775 P.036 O12 Cl
compound: Pingtouling mine, Guangdong, China
formula_title: <missing>
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b: 10.2382
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alpha: 90
beta: 90
gamma: 120
cell_volume: 676.310
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formula: Pb5 As2.775 P.036 O12 Cl
compound: Pingtouling mine, Guangdong, China
formula_title: <missing>
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b: 10.2396
c: 7.4405
alpha: 90
beta: 90
gamma: 120
cell_volume: 675.614
crystal_density: 7.238
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formula: (Fe.292 Mg.709) Si O3
compound: Wilson Terrane, North Victoria Land, Antarctica
pub_title: Ordering state in orthopyroxene as determined by precession electron diffraction
formula_title: <missing>
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beta: 90
gamma: 90
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formula: (Fe.296 Mg.704) Si O3
compound: Wilson Terrane, North Victoria Land, Antarctica
pub_title: Ordering state in orthopyroxene as determined by precession electron diffraction
formula_title: <missing>
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beta: 90
gamma: 90
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formula: (Fe.296 Mg.704) Si O3
compound: Wilson Terrane, North Victoria Land, Antarctica
pub_title: Ordering state in orthopyroxene as determined by precession electron diffraction
formula_title: <missing>
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b: 8.8816
c: 5.2082
alpha: 90
beta: 90
gamma: 90
cell_volume: 846.608
crystal_density: 3.444
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formula: Na.86 Al8.34 Cu1.26 Si5.4 B3 O31 H3
compound: Synthetic
pub_title: Crystal chemistry of Cu-bearing tourmalines Note: Sample 1
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formula: Na.9 Ca.03 Al7.65 Li.75 Cu.348 Zn.342 Mn.18 Fe.03 Si5.7 B3 O30.8 F.06 H6
compound: Paraiba, Brazil
pub_title: Crystal chemistry of Cu-bearing tourmalines Note: Sample 2
formula_title: <missing>
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b: 15.881
c: 7.112
alpha: 90
beta: 90
gamma: 120
cell_volume: 1553.381
crystal_density: 3.149
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formula: Na.65 Ca.09 Al7.74 Li1.08 Mn.3 Cu.18 Si5.7 B3 O30.82 F.06 H3
compound: Paraiba, Brazil
pub_title: Crystal chemistry of Cu-bearing tourmalines Note: Sample 3
formula_title: <missing>
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formula: Na.83 K.02 Al6.291 Mg2.061 Fe.627 Ti.021 B3 Si6 O31 H3.24
compound: Osarara, Narok district, Kenya
formula_title: <missing>
a: 15.9273
b: 15.9273
c: 7.20010
alpha: 90
beta: 90
gamma: 120
cell_volume: 1581.807
crystal_density: 3.073
pub_title:
 Oxy-dravite, Na(Al2Mg)(Al5Mg)(Si6O18)(BO3)3(OH)3O, a new mineral species
 of the tourmaline supergroup

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formula: Ca.962 Pb.073 Cu.971 Mg.005 Fe.002 Te.986 O6 H2
compound: Otto Mountain near Baker, California, USA
formula_title: <missing>
a: 8.1606
b: 5.3076
c: 11.4412
alpha: 90
beta: 101.549
gamma: 90
cell_volume: 485.522
crystal_density: 4.644
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pub_title:
 Lead-tellurium oxysalts from Otto Mountain near Baker, California: XI.
 Eckhardite, (Ca,Pb)Cu2+Te6+O5(H2O), a new mineral with HCP stair-step layers

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formula: Na.76 Ca.19 K.02 Cr2.103 Mg2.412 Al3.807 Ti.06 Fe.468 V.192 Si6 B3 O30.77 F.23 H3.08
compound: Sludyanka crystalline complex, Lake Baikal, Russia
formula_title: <missing>
a: 16.0032
b: 16.0032
c: 7.28230
alpha: 90
beta: 90
gamma: 120
cell_volume: 1615.150
crystal_density: 3.196
pub_title:
 Crystallographic and spectroscopic characterization of Fe-bearing
 chromo-alumino-povondraite and its relations with oxy-chromium-dravite and oxy-dravite

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formula: Cu.55 Ga.19 Fe.13 In.08 Zn.08 S
compound: Capillitas mine, Argentina
pub_title: Ishiharaite, (Cu,Ga,Fe,In,Zn)S, a new mineral from the Capillitas mine, Northwestern Argentina
formula_title: <missing>
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b: 5.368
c: 5.368
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formula: Ge Fe (O6 H6)
compound: Ongopolo mine, Namibia, Africa
pub_title: Die Kristallstruktur von Stottit: FeGe(OH)6
formula_title: <missing>
a: 7.55
b: 7.55
c: 7.47
alpha: 90
beta: 90
gamma: 90
cell_volume: 425.809
crystal_density: 3.596
atoms_sites: ["Ge", "Fe", "O-H1", "O-H2", "O-H3"]
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formula: Fe V O4
compound: Synthetic
pub_title: Crystal structure and Moessbauer effect investigation of FeVO4
formula_title: <missing>
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b: 8.060
c: 9.254
alpha: 96.65
beta: 106.57
gamma: 101.60
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crystal_density: 3.679
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formula: N H4 Cu4 S3
compound: Synthetic
pub_title: Ammonothermal crystal growth of sulfide materials
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gamma: 90
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 Crystal chemistry of dense hydrous magnesium silicates: The structure of phase H,
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pub_title:
 Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2
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pub_title:
 Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2
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pub_title:
 Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2
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 Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2
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pub_title:
 Phase transitions and equation of state of forsterite to 90 GPa from single-crystal
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pub_title:
 Phase transitions and equation of state of forsterite to 90 GPa from single-crystal
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pub_title:
 Phase transitions and equation of state of forsterite to 90 GPa from single-crystal
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 Note: P = 58.2 GPa

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pub_title:
 Phase transitions and equation of state of forsterite to 90 GPa from single-crystal
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compound: Ophir Hill Consolidated mine, Tooele County, Utah, USA
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pub_title:
 Ophirite, Ca2Mg4[Zn2Mn3+2(H2O)2(Fe3+W9O34)2]*46H2O, a new mineral with
 a heteropolytungstate tri-lacunary Keggin anion

atoms_sites:
["Fe1", "Sb1", "Ca1", "Mg1", "Mn2", "Sb2", "Fe2", "W2", "Zn3", "Fe3", "Ca3", "Sb3", "Mg4", "Mn4", "Mg5", "Mn5", "Ca6", "Mg6", "Zn6", "W1", "Mn1", "W2", "Mn2", "W3", "Mn3", "W4", "Mn4", "W5", "Mn5", "W6", "Mn6", "W7", "Mn7", "W8", "Mn8", "W9", "Mn9", "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", "H35A", "H35B", "O36", "H36A", "H36B", "O37", "H37A", "H37B", "O38", "H38A", "H38B", "O39", "H39A", "H39B", "O40", "H40A", "H40B", "O41", "H41A", "H41B", "O42", "H42A", "H42B", "O43", "H43A", "H43B", "O44", "H44A", "H44B", "O45", "H45A", "H45B", "O46", "H46A", "H46B", "O47", "H47A", "H47B", "O48", "H48A", "H48B", "O49", "H49A", "H49B", "O50", "H50A", "H50B", "O51", "H51A", "H51B", "O52", "H52A", "H52B", "O53", "H53A", "H53B", "O54", "H54A", "H54B", "O55", "H55A", "H55B", "O56", "H56A", "H56B", "O57", "H57A", "H57B", "O58", "H58A", "H58B"]

atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

atoms_u_iso:

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formula: Zr3.28 Y.68 Hf.04 Nb.08 Na7.04 Si24 Cs.44 K.48 O70.08 H20.16
compound: Darai-Pioz alkaline massif, Tajikistan
formula_title: <missing>
a: 14.5975
b: 14.1100
c: 14.4394
alpha: 90
beta: 90.0399
gamma: 90
cell_volume: 2974.093
crystal_density: 2.712
pub_title:
 Yusupovite, Na2Zr(Si6O15)(H2O)3, a new mineral species from the Darai-Pioz alkaline
 massif and its implications as a new microporous filter for large ions

atoms_sites:
["Zr1", "Y1", "Hf1", "Nb1", "Zr2", "Y2", "Na1", "Na2", "Na3", "Si1", "Si2", "Si3", "Si4", "Si5", "Si6", "Cs1", "K1", "K2", "Cs2", "Cs3", "K3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "O16", "O17", "Wat1", "Wat2", "Wat3", "Wat4", "Wat5", "Wat6", "Wat7", "Wat8", "Wat9", "Wat10"]

atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

atoms_u_iso:

atoms_aniso_label:
["Zr1", "Y1", "Hf1", "Nb1", "Zr2", "Y2", "Na1", "Na2", "Na3", "Si1", "Si2", "Si3", "Si4", "Si5", "Si6", "Cs1", "K1", "K2", "Cs2", "Cs3", "K3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "O16", "O17"]

atoms_aniso_u11:

atoms_aniso_u22:

atoms_aniso_u33:

atoms_aniso_u12:

atoms_aniso_u13:

atoms_aniso_u23:

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formula: Ca Fe1.957 Al.015 Cr.011 Ti.004 Mg.003 O4
compound: Hatrurim complex, West Bank, Palestinian Autonomy, Israel
pub_title: Harmunite CaFe2O4: A new mineral from the Jabel Harmun, West Bank, Palestinian Autonomy, Israel
formula_title: <missing>
a: 9.2183
b: 3.01750
c: 10.6934
alpha: 90
beta: 90
gamma: 90
cell_volume: 297.450
crystal_density: 4.792
atoms_x: gC4uACiXIgAolyIAKJciACiXIgAolyIAIPkEACD5BAAg+QQAIPkEACD5BADQeiMAcM01APAbKwDQCB0A
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atoms_sites:
["Ca1", "Fe1", "Al1", "Cr1", "Ti1", "Mg1", "Fe2", "Al2", "Cr2", "Ti2", "Mg2", "O1", "O2", "O3", "O4"]

atoms_aniso_label:
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formula: Bi3.95 Sb.036 Fe.65 Mn1.102 Pb.142 Cu.085 Cd.018 Ag.002 S8 Se.024 Te.014
compound: Baita Bihor skarn deposit, Bihor County, Romania
pub_title: Gratianite, MnBi2S4, a new mineral from the Baita Bihor skarn, Romania
formula_title: <missing>
a: 12.677
b: 3.9140
c: 14.758
alpha: 90
beta: 115.31
gamma: 90
cell_volume: 661.968
crystal_density: 6.141
atoms_sites:
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atoms_aniso_label:
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formula: Na.87 Ca.07 K.02 Cr3.47 Mg2.25 Al3.08 V.22 Fe.01 B3 Si5.96 O30.75 F.25 H3.02
compound: Sludyanka, Lake Baikal, Russia
formula_title: <missing>
a: 16.0277
b: 16.0277
c: 7.30850
alpha: 90
beta: 90
gamma: 120
cell_volume: 1625.928
crystal_density: 3.227
pub_title:
 Chromo-alumino-povondraite, NaCr3(Al4Mg2)(Si6O18)(BO3)3(OH)3O, a new mineral species
 of the tourmaline supergroup

atoms_sites:
["NaX", "CaX", "KX", "CrY", "MgY", "AlZ", "MgZ", "CrZ", "VZ", "FeZ", "B", "Si", "Al", "O1", "F1", "O-H1", "O2", "O3", "H3", "O4", "O5", "O6", "O7", "O8"]

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formula: (N.784 K.216) Na Mg2 P2 O22 H28
compound: Synthetic
formula_title: (NH4)NaMg2(PO4)2*14H2O
a: 6.9661
b: 25.236
c: 11.2919
alpha: 90
beta: 90
gamma: 90
cell_volume: 1985.077
crystal_density: 1.784
pub_title:
 A new biogenic, struvite-related phosphate, the ammonium-analog of hazenite,
 (NH4)NaMg2(PO4)2*14H2O

atoms_sites:
["N", "K", "Na", "Mg1", "Mg2", "P1", "P2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "H11", "H21", "H31", "H32", "H41", "H42", "H51", "H52", "H61", "H62", "H71", "H81", "H82", "H91", "H92"]

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formula: Sb4 S O10 H2
compound: Synthetic
formula_title: <missing>
a: 5.7563
b: 11.2538
c: 14.8627
alpha: 90
beta: 90
gamma: 90
cell_volume: 962.810
crystal_density: 4.699
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pub_title:
 Klebelsbergite, Sb4O4SO4(OH)2: Stability relationships, formation in nature,
 and refinement of its structure

atoms_sites:
["Sb1", "Sb2", "Sb3", "Sb4", "S", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "H1", "H2"]

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formula: Fe1.946 O3
compound: Synthetic
pub_title: A refined monoclinic structure for a variety of "hydrohematite" Note: T = 38 C
formula_title: <missing>
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b: 5.0117
c: 5.4417
alpha: 90
beta: 95.666
gamma: 90
cell_volume: 200.695
crystal_density: 5.185
atoms_sites: ["Fe", "O1", "O2"]
atoms_x: 0OcVANAgGQBAQg8A
atoms_y: 0Lz//7BcNABgKwsA
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atoms_occupancy: IGM7AAAJPQAACT0A
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compound: Agua de Pau volcano, San Miguel Island, Azores District, Portugal
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beta: 90
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cell_volume: 2260.631
crystal_density: 3.074
pub_title:
 Chiappinoite-(Y), Y2Mn(Si3O7)4, a new layer silicate found in peralkaline syenitic
 ejecta from the Agua de Pau volcano, Azores

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compound: Synthetic
pub_title: Complete substitution of Fe2+ by Mg in Fe4O5: The crystal structure of the Mg2Fe2O5 end-member
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formula: (Mn.96 Ca.04) C O3
compound: Sardegna, Italy
pub_title: The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p0 Note: P = .0001 GPa
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formula: (Mn.96 Ca.04) C O3
compound: Sardegna, Italy
pub_title: The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p1 Note: P = 22.50 GPa
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formula: (Mn.96 Ca.04) C O3
compound: Sardegna, Italy
pub_title: The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p2 Note: P = 23.65 GPa
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formula: (Mn.96 Ca.04) C O3
compound: Sardegna, Italy
pub_title: The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p3 Note: P = 25.34 GPa
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formula: (Mn.96 Ca.04) C O3
compound: Sardegna, Italy
pub_title: The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p4 Note: P = 27.45 GPa
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formula: (Mn.96 Ca.04) C O3
compound: Sardegna, Italy
pub_title: The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p5 Note: P = 30.48 GPa
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compound: Sardegna, Italy
pub_title: The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p6 Note: P = 31.19 GPa
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formula: (Mn.96 Ca.04) C O3
compound: Sardegna, Italy
pub_title: The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p7 Note: P = 33.56 GPa
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formula: (Mn.96 Ca.04) C O3
compound: Sardegna, Italy
pub_title: The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p8 Note: P = 36.20 GPa
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compound: Sardegna, Italy
pub_title: The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p9 Note: P = 37.58 GPa
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formula: (Mn.96 Ca.04) C O3
compound: Sardegna, Italy
pub_title: The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p10 Note: P = 40.80 GPa
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compound: Sardegna, Italy
pub_title: The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p11 Note: P = 44.46 GPa
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formula: (Mn.96 Ca.04) C O3
compound: Sardegna, Italy
pub_title: The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p11a Note: P = 46.79 GPa
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pub_title: The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p12 Note: P = 44.01 GPa
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compound: Sardegna, Italy
pub_title: The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p13 Note: P = 41.55 GPa
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compound: Sardegna, Italy
pub_title: The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p14 Note: P = 35.67 GPa
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formula: (Mn.96 Ca.04) C O3
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pub_title: The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p0 Note: P = .0001 GPa
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compound: Sardegna, Italy
pub_title: The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p1 Note: P = .22 GPa
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formula: (Mn.96 Ca.04) C O3
compound: Sardegna, Italy
pub_title: The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p2 Note: P = .79 GPa
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formula: (Mn.96 Ca.04) C O3
compound: Sardegna, Italy
pub_title: The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p3 Note: P = 1.62 GPa
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compound: Sardegna, Italy
pub_title: The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p4 Note: P = 2.12 GPa
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formula: (Mn.96 Ca.04) C O3
compound: Sardegna, Italy
pub_title: The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p5 Note: P = 2.66 GPa
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formula: (Mn.96 Ca.04) C O3
compound: Sardegna, Italy
pub_title: The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p6 Note: P = 3.57 GPa
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compound: Sardegna, Italy
pub_title: The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p7 Note: P = 4.39 GPa
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formula: (Mn.96 Ca.04) C O3
compound: Sardegna, Italy
pub_title: The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p8 Note: P = 4.74 GPa
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compound: Sardegna, Italy
pub_title: The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p9 Note: P = 5.20 GPa
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formula: (Mn.96 Ca.04) C O3
compound: Sardegna, Italy
pub_title: The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p10 Note: P = 6.33 GPa
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formula: (Mn.96 Ca.04) C O3
compound: Sardegna, Italy
pub_title: The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p11 Note: P = 7.01 GPa
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gamma: 120
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formula: (Mn.96 Ca.04) C O3
compound: Sardegna, Italy
pub_title: The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p12 Note: P = 8.33 GPa
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compound: Sardegna, Italy
pub_title: The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p13 Note: P = 9.17 GPa
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compound: Sardegna, Italy
pub_title: The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p14 Note: P = 9.82 GPa
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formula: (Mn.96 Ca.04) C O3
compound: Sardegna, Italy
pub_title: The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p15 Note: P = 10.88 GPa
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formula: (Mn.96 Ca.04) C O3
compound: Sardegna, Italy
pub_title: The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p16 Note: P = 11.90 GPa
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formula: (Mn.96 Ca.04) C O3
compound: Sardegna, Italy
pub_title: The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p17 Note: P = 12.73 GPa
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formula: (Mn.96 Ca.04) C O3
compound: Sardegna, Italy
pub_title: The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p18 Note: P = 14.82 GPa
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formula: (Mn.96 Ca.04) C O3
compound: Sardegna, Italy
pub_title: The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p19 Note: P = 16.42 GPa
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formula: (Mn.96 Ca.04) C O3
compound: Sardegna, Italy
pub_title: The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p20 Note: P = 17.66 GPa
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formula: (Mn.96 Ca.04) C O3
compound: Sardegna, Italy
pub_title: The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p21 Note: P = 18.69 GPa
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formula: (Mn.96 Ca.04) C O3
compound: Sardegna, Italy
pub_title: The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p22 Note: P = 19.78 GPa
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formula: (Mn.96 Ca.04) C O3
compound: Sardegna, Italy
pub_title: The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p23 Note: P = 20.24 GPa
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formula: Mn1.06 Ca.47 La.49 Ce.2 Pr.08 Nd.19 Gd.02 Fe.88 V.28 Al1.17 Ti.07 Mg.1 Si3 O13 H
compound: Shobu area, Ise City, Mie Prefecture, Japan
formula_title: <missing>
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pub_title:
 Ferriakasakaite-(La) and ferriandrosite-(La): new epidote-supergroup minerals
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formula: Ca.59 Mn.96 La.48 Ce.2 Pr.07 Nd.18 Gd.02 Fe.89 V.34 Al1.14 Ti.06 Mg.07 Si3 O13 H
compound: Shobu area, Ise City, Mie Prefecture, Japan
formula_title: <missing>
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pub_title:
 Ferriakasakaite-(La) and ferriandrosite-(La): new epidote-supergroup minerals
 from Ise, Mie Prefecture, Japan

atoms_sites:
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formula: Na.91 Mg1.09 P O13 H18
compound: Apex mine, Lander County, Nevada, USA
pub_title: Apexite, NaMg(PO4)*9H2O, a new struvite-type phase with a heteropolyhedral cluster
formula_title: <missing>
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b: 11.9767
c: 14.9436
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gamma: 105.171
cell_volume: 1160.883
crystal_density: 1.742
atoms_sites:
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qdat:
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formula: Mn Sn (O6 H6)
compound: Synthetic
pub_title: Hydrothermal preparation of hydroxy stannates. The crystal structure of MnSn(OH)6
formula_title: <missing>
a: 7.885
b: 7.885
c: 7.885
alpha: 90
beta: 90
gamma: 90
cell_volume: 490.236
crystal_density: 3.735
atoms_sites: ["Mn", "Sn", "O-H"]
atoms_x: AAAAAICEHgCg8QQA
atoms_y: AAAAAICEHgBAwzgA
atoms_z: AAAAAICEHgBgkA8A
atoms_occupancy: 0
atoms_u_iso: SKgAAAhhAACwOgEA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Zr.49 Mn5.4 Mg.48 Ca.02 Zn.01 Ce.01 Al.01 Fe.58 Si O12
compound: Langban deposit, Langban, Sweden
pub_title: Gatedalite, Zr(Mn2+2Mn3+4)SiO12, a new mineral species of the braunite group from Langban, Sweden
formula_title: <missing>
a: 9.4668
b: 9.4668
c: 18.8701
alpha: 90
beta: 90
gamma: 90
cell_volume: 1691.144
crystal_density: 4.781
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_occupancy:
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atoms_u_iso:
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atoms_aniso_label:
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atoms_aniso_u23:
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qdat:
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formula: Ca9 Na.98 (Mg.952 Fe.048) P7 O28
compound: Suizhou meteorite
pub_title: Chemical composition and crystal structure of merrillite from the Suizhou meteorite
formula_title: <missing>
a: 10.3444
b: 10.3444
c: 37.0182
alpha: 90
beta: 90
gamma: 120
cell_volume: 3430.493
crystal_density: 3.119
atoms_u_iso: 0
atoms_sites:
["Ca1", "Ca2", "Ca3", "Na", "Mg", "Fe", "P1", "P2", "P3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10"]

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: Bi2 S2 O9
compound: La Fossa crater, Vulcano, Aeolian Islands, Italy
pub_title: The crystal structure of baliczunicite, Bi2O(SO4)2, a new natural bismuth oxide sulfate
formula_title: <missing>
a: 6.7386
b: 11.1844
c: 14.1754
alpha: 80.082
beta: 88.462
gamma: 89.517
cell_volume: 1052.007
crystal_density: 5.929
atoms_occupancy: 0
atoms_aniso_label: ["Bi1", "Bi2", "Bi3", "Bi4", "Bi5", "Bi6", "S1", "S2", "S3", "S4", "S5", "S6"]
atoms_aniso_u11: wMEAACCZAADA8wAAsLMAAECcAAAg5AAAwF0AAIA+AACgjAAAwF0AAAB9AAAAfQAA
atoms_aniso_u22: 0LYAAFCRAACAcAAAUKoAAOB5AADgqwAA4KsAACBOAABAnAAAgLsAAOCrAADgqwAA
atoms_aniso_u33: 4KsAAMDBAADADAEAMKcAAGC4AAAAyAAA4KsAAMDaAACAuwAAwNoAACDLAACgjAAA
atoms_aniso_u12: YAkAAHAXAACQGgAA8CMAAOAVAAAAMgAAQB8AAGAiAABgCQAAQB8AAPDx//8QDgAA
atoms_aniso_u13: sNL//3D+///gyv//8PH//zD4///A+f//UOL///Dx//9QFAAAcLP//4Dz///A+f//
atoms_aniso_u23: oPb//+DK//9A1P//4Mr//yDq//8Q3P//cP7//+D8//8w+P//ENz//yADAABA1P//
atoms_sites:
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atoms_x:

atoms_y:

atoms_z:

atoms_u_iso:

qdat:
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formula: (Mg1.8 Fe.2) Si O4
compound: Baldissero, Ivrea-Verbano Zone, Western Italian Alps
formula_title: <missing>
a: 4.759
b: 10.227
c: 5.995
alpha: 90
beta: 90
gamma: 90
cell_volume: 291.778
crystal_density: 3.346
atoms_sites: ["Mg1", "Fe1", "Mg2", "Fe2", "Si", "O1", "O2", "O3"]
atoms_x: AAAAAAAAAAAwYv//MGL//8AMGgDAwC4AwBARAAD+EAA=
atoms_y: AAAAAAAAAAAA9BAAAPQQABDCBQDQmAUAIMr8/9D4CQA=
atoms_z: AAAAAAAAAABAQg8AQEIPAEBCDwBAQg8AQEIPAMAGAgA=
atoms_occupancy: oL82AGBJBgBgHTcAoOsFAAAJPQAACT0AAAk9AAAJPQA=
atoms_u_iso: 0
atoms_aniso_label: ["Mg1", "Fe1", "Mg2", "Fe2", "Si", "O1", "O2", "O3"]
atoms_aniso_u11: EEAAABBAAACwTwAAsE8AAGAiAAAwKgAA4EcAAABLAAA=
atoms_aniso_u22: sIEAALCBAABAUQAAQFEAALBPAABwewAAIE4AAIBwAAA=
atoms_aniso_u33: cGIAAHBiAAAQcgAAEHIAABBZAABAagAAIIAAALBoAAA=
atoms_aniso_u12: 4Pz//+D8//9w/v//cP7//wAAAACADAAAsAQAACADAAA=
atoms_aniso_u13: wPn//8D5//8AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA=
atoms_aniso_u23: 0O7//9Du//8AAAAAAAAAAAAAAAAAAAAAAAAAAMASAAA=
pub_title:
 Crystal chemistry of the olivines in the peridotites from the Ivrea-
 Verbano Zone (Western Italian Alps)
 Note: Sample Mo895

qdat:
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formula: (Mg1.8 Fe.2) Si O4
compound: Balmuccia, Ivrea-Verbano Zone, Western Italian Alps
formula_title: <missing>
a: 4.764
b: 10.226
c: 5.991
alpha: 90
beta: 90
gamma: 90
cell_volume: 291.862
crystal_density: 3.345
atoms_sites: ["Mg1", "Fe1", "Mg2", "Fe2", "Si", "O1", "O2", "O3"]
atoms_x: AAAAAAAAAABQZf//UGX//1AOGgCAui4AwBARAHD8EAA=
atoms_y: AAAAAAAAAADo8hAA6PIQABDCBQDQmAUA0M78//j4CQA=
atoms_z: AAAAAAAAAABAQg8AQEIPAEBCDwBAQg8AQEIPAMAGAgA=
atoms_occupancy: IP42AOAKBgDg3jYAICoGAAAJPQAACT0AAAk9AAAJPQA=
atoms_u_iso: 0
atoms_aniso_label: ["Mg1", "Fe1", "Mg2", "Fe2", "Si", "O1", "O2", "O3"]
atoms_aniso_u11: UJEAAFCRAABwrQAAcK0AADB1AADgeQAAYJ8AAOCSAAA=
atoms_aniso_u22: sIEAALCBAABQXwAAUF8AAEBRAACgcwAAkEwAAAB9AAA=
atoms_aniso_u33: oIwAAKCMAAAgmQAAIJkAAECDAACwmgAAwKgAAHCUAAA=
atoms_aniso_u12: kAEAAJABAACQAQAAkAEAACADAADQBwAAIAMAAEAGAAA=
atoms_aniso_u13: EPX//xD1//8AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA=
atoms_aniso_u23: IOr//yDq//8AAAAAAAAAAAAAAAAAAAAAAAAAAMASAAA=
pub_title:
 Crystal chemistry of the olivines in the peridotites from the Ivrea-
 Verbano Zone (Western Italian Alps)
 Note: Sample 77IVBL11

qdat:
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formula: (Mg1.828 Fe.172) Si O4
compound: Finero, Ivrea-Verbano Zone, Western Italian Alps
formula_title: <missing>
a: 4.762
b: 10.231
c: 5.993
alpha: 90
beta: 90
gamma: 90
cell_volume: 291.979
crystal_density: 3.324
atoms_sites: ["Mg1", "Fe1", "Mg2", "Fe2", "Si", "O1", "O2", "O3"]
atoms_x: AAAAAAAAAAD4Yv//+GL//+AKGgBQwi4AoA0RAHD8EAA=
atoms_y: AAAAAAAAAADQ8RAA0PEQAMDBBQBAlwUAKMz8/2j3CQA=
atoms_z: AAAAAAAAAABAQg8AQEIPAEBCDwBAQg8AQEIPADAFAgA=
atoms_occupancy: AKo3AABfBQCA6DcAgCAFAAAJPQAACT0AAAk9AAAJPQA=
atoms_u_iso: 0
atoms_aniso_label: ["Mg1", "Fe1", "Mg2", "Fe2", "Si", "O1", "O2", "O3"]
atoms_aniso_u11: YFQAAGBUAADQawAA0GsAAGA7AACAPgAAMFwAAMBdAAA=
atoms_aniso_u22: oFoAAKBaAAAgNQAAIDUAAFAtAAAQWQAAkDMAANBSAAA=
atoms_aniso_u33: EFkAABBZAAAAZAAAAGQAACBOAAAAZAAAYG0AAHBiAAA=
atoms_aniso_u12: AAAAAAAAAAAgAwAA4Pz//1gCAADA+f//cP7//7AEAAA=
atoms_aniso_u13: EPX//xD1//8AAAAAAAAAAAAAAAAAAAAAAAAAAFD7//8=
atoms_aniso_u23: kO3//5Dt//8AAAAAAAAAAAAAAAAAAAAAAAAAAHAXAAA=
pub_title:
 Crystal chemistry of the olivines in the peridotites from the Ivrea-
 Verbano Zone (Western Italian Alps)
 Note: Sample PB9

qdat:
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formula: (Mg1.774 Fe.226) Si O4
compound: Rocca d'Argimonia, Ivrea-Verbano Zone, Western Italian Alps
formula_title: <missing>
a: 4.762
b: 10.230
c: 5.996
alpha: 90
beta: 90
gamma: 90
cell_volume: 292.097
crystal_density: 3.361
atoms_sites: ["Mg1", "Fe1", "Mg2", "Fe2", "Si", "O1", "O2", "O3"]
atoms_x: AAAAAAAAAAA4X///OF///xgKGgDgwy4AwBARAAD+EAA=
atoms_y: AAAAAAAAAABg8xAAYPMQAKDDBQCwlQUAmM/8/+D3CQA=
atoms_z: AAAAAAAAAABAQg8AQEIPAEBCDwBAQg8AQEIPADAFAgA=
atoms_occupancy: IAQ2AOAEBwCgQjYAYMYGAAAJPQAACT0AAAk9AAAJPQA=
atoms_u_iso: 0
atoms_aniso_label: ["Mg1", "Fe1", "Mg2", "Fe2", "Si", "O1", "O2", "O3"]
atoms_aniso_u11: QFEAAEBRAABAUQAAQFEAACA1AADwPAAA0FIAAIBXAAA=
atoms_aniso_u22: AH0AAAB9AABgVAAAYFQAAEBRAAAggAAAEFkAAFB4AAA=
atoms_aniso_u33: 8FUAAPBVAACgWgAAoFoAAOBHAADgYAAAAGQAAMBdAAA=
atoms_aniso_u12: AAAAAAAAAACQAQAAkAEAAJABAAAAAAAAsAQAACADAAA=
atoms_aniso_u13: EPX//xD1//8AAAAAAAAAAAAAAAAAAAAAAAAAAFD7//8=
atoms_aniso_u23: QO3//0Dt//8AAAAAAAAAAAAAAAAAAAAAAAAAAAAZAAA=
pub_title:
 Crystal chemistry of the olivines in the peridotites from the Ivrea-
 Verbano Zone (Western Italian Alps)
 Note: Sample Mo982

qdat:
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formula: (Mg1.762 Fe.238) Si O4
compound: Finero, Ivrea-Verbano Zone, Western Italian Alps
formula_title: <missing>
a: 4.766
b: 10.236
c: 5.999
alpha: 90
beta: 90
gamma: 90
cell_volume: 292.660
crystal_density: 3.364
atoms_sites: ["Mg1", "Fe1", "Mg2", "Fe2", "Si", "O1", "O2", "O3"]
atoms_x: AAAAAAAAAADwW///8Fv//6AJGgCAui4AEAwRACABEQA=
atoms_y: AAAAAAAAAAAo9BAAKPQQACjDBQDQmAUAIMr8/5D3CQA=
atoms_z: AAAAAAAAAABAQg8AQEIPAEBCDwBAQg8AQEIPADAFAgA=
atoms_occupancy: QNU1AMAzBwAAtjUAAFMHAAAJPQAACT0AAAk9AAAJPQA=
atoms_u_iso: 0
atoms_aniso_label: ["Mg1", "Fe1", "Mg2", "Fe2", "Si", "O1", "O2", "O3"]
atoms_aniso_u11: 8DwAAPA8AACwTwAAsE8AAFAUAACQGgAAIE4AADBDAAA=
atoms_aniso_u22: oIwAAKCMAAAAZAAAAGQAAHBiAAAQiwAAkDMAACCAAAA=
atoms_aniso_u33: 8DwAAPA8AABwSQAAcEkAAEA4AADwVQAAsE8AAKBBAAA=
atoms_aniso_u12: 4Pz//+D8//8AAAAAAAAAACADAAAAAAAAcP7//7AEAAA=
atoms_aniso_u13: gPP//4Dz//8AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA=
atoms_aniso_u23: YPD//2Dw//8AAAAAAAAAAAAAAAAAAAAAAAAAAHAXAAA=
pub_title:
 Crystal chemistry of the olivines in the peridotites from the Ivrea-
 Verbano Zone (Western Italian Alps)
 Note: Sample 84AT7

qdat:
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formula: (Mg1.684 Fe.316) Si O4
compound: Valsesia, Ivrea-Verbano Zone, Western Italian Alps
formula_title: <missing>
a: 4.765
b: 10.245
c: 6.001
alpha: 90
beta: 90
gamma: 90
cell_volume: 292.953
crystal_density: 3.416
atoms_sites: ["Mg1", "Fe1", "Mg2", "Fe2", "Si", "O1", "O2", "O3"]
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pub_title:
 Crystal chemistry of the olivines in the peridotites from the Ivrea-
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pub_title:
 Crystal chemistry of the olivines in the peridotites from the Ivrea-
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 Note: Sample Mo940

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pub_title:
 Crystal chemistry of the olivines in the peridotites from the Ivrea-
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 Note: Sample OLBC2

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pub_title:
 Crystal chemistry of the olivines in the peridotites from the Ivrea-
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 Note: Sample OLBC3

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formula: Cu4.99 Zn.04 As1.95 S.02 V.01 O10
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pub_title:
 New arsenate minerals from the Arsenatnaya fumarole, Tolbachik volcano,
 Kamchatka, Russia. III. Popovite, Cu5O2(AsO4)2

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pub_title:
 Hexagonal Na0.41[Na0.125Mg0.79Al0.085]2[Al0.79Si0.21]6O12 (NAL phase):
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pub_title:
 High-pressure phase transitions in FeCr2O4 and structure analysis of new post-
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pub_title:
 High-pressure phase transitions in FeCr2O4 and structure analysis of new post-
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pub_title:
 High-pressure phase transitions in FeCr2O4 and structure analysis of new post-
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pub_title:
 A variable-temperature neutron diffraction study of serandite: A Mn-silicate
 framework with a very strong, two-proton site, hydrogen bond
 Note: T = 4 K

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pub_title:
 A variable-temperature neutron diffraction study of serandite: A Mn-silicate
 framework with a very strong, two-proton site, hydrogen bond
 Note: T = 150 K

atoms_sites:
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pub_title:
 A variable-temperature neutron diffraction study of serandite: A Mn-silicate
 framework with a very strong, two-proton site, hydrogen bond
 Note: T = 298 K

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pub_title:
 A variable-temperature neutron diffraction study of serandite: A Mn-silicate
 framework with a very strong, two-proton site, hydrogen bond
 Note: T = 575 K

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compound: Mont St. Hilaire, Quebec, Canada
formula_title: <missing>
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pub_title:
 A variable-temperature neutron diffraction study of serandite: A Mn-silicate
 framework with a very strong, two-proton site, hydrogen bond
 Note: T = 800 K

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formula_title: <missing>
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beta: 90.00
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cell_volume: 942.014
crystal_density: 4.273
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pub_title:
 Ichnusaite, Th(MoO4)2*3H2O, the first natural thorium molybdate: occurrence,
 description, and crystal structure

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formula: Zn.97 Fe.04 Al1.99 O4
compound: Jemaa, Kaduna, Nigeria
formula_title: <missing>
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b: 8.0912
c: 8.0912
alpha: 90
beta: 90
gamma: 90
cell_volume: 529.711
crystal_density: 4.598
atoms_sites: ["ZnT", "FeT", "AlM", "FeM", "O"]
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pub_title:
 Optical absorption spectroscopy study of the causes for color variations in natural
 Fe-bearing gahnite: Insights from iron valency and site distribution data
 Note: Sample Ni8967d


formula: Zn.91 Fe.1 Al1.98 Mg.01 O4
compound: Jemaa, Kaduna, Nigeria
formula_title: <missing>
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pub_title:
 Optical absorption spectroscopy study of the causes for color variations in natural
 Fe-bearing gahnite: Insights from iron valency and site distribution data
 Note: Sample Ni8967e

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formula: Zn.91 Fe.1 Al1.98 Mg.01 O4
compound: Migiandone mine, Val d'Ossola, Italy
formula_title: <missing>
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b: 8.0944
c: 8.0944
alpha: 90
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gamma: 90
cell_volume: 530.340
crystal_density: 4.578
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pub_title:
 Optical absorption spectroscopy study of the causes for color variations in natural
 Fe-bearing gahnite: Insights from iron valency and site distribution data
 Note: Sample Sp2781_6a


formula: Zn.7 Fe.35 Al1.92 Mg.03 O4
compound: Migiandone mine, Val d'Ossola, Italy
formula_title: <missing>
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b: 8.1103
c: 8.1103
alpha: 90
beta: 90
gamma: 90
cell_volume: 533.471
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pub_title:
 Optical absorption spectroscopy study of the causes for color variations in natural
 Fe-bearing gahnite: Insights from iron valency and site distribution data
 Note: Sample Sp2781_6c


formula: U S2 O12 (N2 H12)
compound: Mount Beshtau, Stavropol region, Northern Caucasus, Russia
pub_title: Beshtauite, (NH4)2(UO2)(SO4)2*2H2O, a new mineral from Mount Beshtau, Northern Caucasus, Russia
formula_title: <missing>
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gamma: 90
cell_volume: 1162.762
crystal_density: 3.052
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formula: Y.91 Yb.01 Ca1.08 O30.92 Na.02 K (Be2.93 Al.07) Si12 H1.84
compound: Heftetjern pegmatite, Tordal, Norway
formula_title: <missing>
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b: 10.3476
c: 13.7610
alpha: 90
beta: 90
gamma: 120
cell_volume: 1276.027
crystal_density: 2.674
atoms_sites: ["Y1", "Yb1", "Ca1", "Wat1", "Na1", "K", "Be1", "Al1", "Si1", "O1", "O2", "O3"]
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pub_title:
 Agakhanovite-(Y), ideally (YCa)2KBe3Si12O30, a new milarite-group mineral from the
 Heftetjern pegmatite, Tordal, Southern Norway: description and crystal structure

qdat:
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formula: Fe2.15 Cr.3 Al.22 Si.08 Mg.26 O4
compound: Synthetic
formula_title: <missing>
a: 9.8
b: 9.6
c: 2.87
alpha: 90
beta: 90
gamma: 90
cell_volume: 270.010
crystal_density: 5.269
atoms_sites: ["Fe1", "Cr1", "Al1", "Si1", "Fe2", "Mg2", "O1", "O2", "O3"]
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pub_title:
 Synthesis of a quenchable high-pressure form of magnetite (h-Fe3O4) with
 composition Fe1(Fe2+0.75Mg0.26)Fe2(Fe3+0.70Cr0.15Al0.11Si0.04)2O4
 Note: Sample Crystal 1

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formula: Fe2.15 Cr.3 Al.22 Si.08 Mg.26 O4
compound: Synthetic
formula_title: <missing>
a: 9.8
b: 9.6
c: 2.87
alpha: 90
beta: 90
gamma: 90
cell_volume: 270.010
crystal_density: 5.269
atoms_sites: ["Fe1", "Cr1", "Al1", "Si1", "Fe2", "Mg2", "O1", "O2", "O3"]
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pub_title:
 Synthesis of a quenchable high-pressure form of magnetite (h-Fe3O4) with
 composition Fe1(Fe2+0.75Mg0.26)Fe2(Fe3+0.70Cr0.15Al0.11Si0.04)2O4
 Note: Sample Crystal 2

qdat:
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formula: (Al.38 Ni.32 Fe.3)
compound: Khatyrka CV3 carbonaceous chondrite, Koryak Mountains, Russia
formula_title: <missing>
a: 3.0214
b: 3.0214
c: 3.0214
alpha: 90
beta: 90
gamma: 90
cell_volume: 27.582
crystal_density: 5.513
atoms_sites: ["Al", "Ni", "Fe"]
atoms_x: AAAAAAAAAAAAAAAA
atoms_y: AAAAAAAAAAAAAAAA
atoms_z: AAAAAAAAAAAAAAAA
atoms_occupancy: gDEXAACIEwCATxIA
atoms_u_iso: 8IEBAPCBAQDwgQEA
atoms_aniso_label: ["Al", "Ni", "Fe"]
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atoms_aniso_u22: 8IEBAPCBAQDwgQEA
atoms_aniso_u33: 8IEBAPCBAQDwgQEA
atoms_aniso_u12: AAAAAAAAAAAAAAAA
atoms_aniso_u13: AAAAAAAAAAAAAAAA
atoms_aniso_u23: AAAAAAAAAAAAAAAA
pub_title:
 Steinhardtite, a new body-centered-cubic allotropic form of aluminum from the
 Khatyrka CV3 carbonaceous chondrite

qdat:
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formula: Ca.96 Ce.01 Yb.01 Zr.99 Si6 O17 H4
compound: Khan Bogdo deposit, southern Gobi Desert, Gobi, Mongolia
formula_title: <missing>
a: 14.0178
b: 14.1289
c: 7.8366
alpha: 90
beta: 109.436
gamma: 90
cell_volume: 1463.639
crystal_density: 2.616
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pub_title:
 Armstrongite from Khan Bogdo (Mongolia): Crystal structure determination and
 implications for zeolite-like cation exchange properties

atoms_sites:
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formula: Na7 U S4 Cl.94 O20.06 H4
compound: Blue Lizard mine, San Juan County, Utah, USA
formula_title: <missing>
a: 21.1507
b: 5.3469
c: 34.6711
alpha: 90
beta: 104.913
gamma: 90
cell_volume: 3788.911
crystal_density: 3.105
pub_title:
 Bluelizardite, Na7(UO2)(SO4)4Cl(H2O)2, a new uranyl sulfate mineral from the
 Blue Lizard mine, San Juan County, Utah, USA

atoms_sites:
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atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

atoms_u_iso:

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qdat:
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formula: Sn.661 Cu2.652 S4
compound: Synthetic
pub_title: Preparation, crystal structure and electrical properties of Cu4SnS6
formula_title: <missing>
a: 3.739
b: 3.739
c: 32.941
alpha: 90
beta: 90
gamma: 120
cell_volume: 398.821
crystal_density: 4.687
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formula: Ba2 Ca Si4 B2 O14
compound: Itsi Range, Yukon Territory, Canada
formula_title: <missing>
a: 10.9515
b: 10.9515
c: 10.3038
alpha: 90
beta: 90
gamma: 90
cell_volume: 1235.790
crystal_density: 3.616
atoms_sites: ["Ba", "Ca", "Si", "B", "O1", "O2", "O3", "O4"]
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atoms_aniso_label: ["Ba", "Ca", "Si", "B", "O1", "O2", "O3", "O4"]
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pub_title:
 Itsiite, Ba2Ca(BSi2O7)2, a new mineral species from Yukon, Canada: description
 and crystal structure

qdat:
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formula: K Ca4 B22 Cl O46 H18
compound: New Brunswick, Canada
pub_title: Volkovskite, a complex borate mineral: refined crystallographic data and optics
formula_title: <missing>
a: 6.535
b: 24.185
c: 6.589
alpha: 92.626
beta: 119.132
gamma: 97.298
cell_volume: 895.288
crystal_density: 2.275
atoms_occupancy: 0
atoms_sites:
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atoms_x:

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formula: Na2.829 Ca.11 K.067 Mg3.884 Fe.486 Al.62 Mn.01 Si8 O23.97 F.03 H1.97
compound: Jade Mine Tract, Kachin Province, Myanmar
formula_title: <missing>
a: 9.8087
b: 17.8448
c: 5.2905
alpha: 90
beta: 103.6600
gamma: 90
cell_volume: 899.826
crystal_density: 3.032
pub_title:
 Eckermannite revised: The new holotype from the Jade Mine Tract, Myanmar-crystal
 structure, mineral data, and hints on the reasons for the rarity of eckermannite
 Note: Sample AMNH H108401

atoms_sites:
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formula: Li Al Si4 O10
compound: Aracuai pegmatite district, Minas Gerais, Brazil
pub_title: Petalite under pressure: Elastic behavior and phase stability Note: P = 0.0001 GPa
formula_title: <missing>
a: 11.22955
b: 5.1396
c: 11.7514
alpha: 90
beta: 141.3120
gamma: 90
cell_volume: 423.952
crystal_density: 2.399
atoms_sites: ["Li1", "Al1", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6"]
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formula: Li Al Si4 O10
compound: Aracuai pegmatite district, Minas Gerais, Brazil
pub_title: Petalite under pressure: Elastic behavior and phase stability Note: P = 0.32 GPa
formula_title: <missing>
a: 11.2067
b: 5.1228
c: 11.7160
alpha: 90
beta: 141.2429
gamma: 90
cell_volume: 421.069
crystal_density: 2.416
atoms_sites: ["Li1", "Al1", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6"]
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formula: Li Al Si4 O10
compound: Aracuai pegmatite district, Minas Gerais, Brazil
pub_title: Petalite under pressure: Elastic behavior and phase stability Note: P = 0.56 GPa
formula_title: <missing>
a: 11.1895
b: 5.1100
c: 11.6872
alpha: 90
beta: 141.1896
gamma: 90
cell_volume: 418.826
crystal_density: 2.428
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pub_title: Petalite under pressure: Elastic behavior and phase stability Note: P = 1.25 GPa
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pub_title: Petalite under pressure: Elastic behavior and phase stability Note: P = 2.71 GPa
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formula_title: <missing>
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pub_title:
 Crystal-chemistry and short-range order of fluoro-edenite and fluoro-pargasite:
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 Note: Sample J9698

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compound: Edenville, Orange County, New York, USA
formula_title: <missing>
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pub_title:
 Crystal-chemistry and short-range order of fluoro-edenite and fluoro-pargasite:
 a combined X-ray diffraction and FTIR spectroscopic approach
 Note: Sample FK1

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compound: Sterling Hill, Ogdensburg, New Jersey, USA
formula_title: <missing>
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alpha: 90
beta: 105.013
gamma: 90
cell_volume: 907.494
crystal_density: 3.124
pub_title:
 Crystal-chemistry and short-range order of fluoro-edenite and fluoro-pargasite:
 a combined X-ray diffraction and FTIR spectroscopic approach
 Note: Sample C2552

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formula: Ca2.02 Na.65 K.11 Mg4.75 Al.97 Ti.01 Fe.18 Mn.01 Si7.09 O22.86 F1.14 Cl.01 H.86
compound: Limecrest-Southdown Quarry, Sparta, New Jersey, USA
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alpha: 90
beta: 104.97
gamma: 90
cell_volume: 908.048
crystal_density: 3.075
pub_title:
 Crystal-chemistry and short-range order of fluoro-edenite and fluoro-pargasite:
 a combined X-ray diffraction and FTIR spectroscopic approach
 Note: Sample GE408

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compound: Franklin Quarry, Franklin, New Jersey, USA
formula_title: <missing>
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cell_volume: 904.671
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pub_title:
 Crystal-chemistry and short-range order of fluoro-edenite and fluoro-pargasite:
 a combined X-ray diffraction and FTIR spectroscopic approach
 Note: Sample G405

atoms_sites:
["NaA", "KA", "NaAm", "KAm", "NaA2", "KA2", "MgM1", "AlM1", "TiM1", "ZnM1", "FeM1", "MgM2", "AlM2", "TiM2", "ZnM2", "FeM2", "MgM3", "AlM3", "TiM3", "ZnM3", "FeM3", "CaM4", "NaM4", "SiT1", "AlT1", "SiT2", "AlT2", "O1", "O2", "O3", "F3", "Cl3", "O4", "O5", "O6", "O7", "H"]

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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_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: Pb2 (Mn.82 Fe.09 Zn.09) (V1.98 As.02) O9 H
compound: Sierra de Cordoba, Argentina
pub_title: Redetermination of brackebuschite, Pb2Mn3+(VO4)2(OH)
formula_title: <missing>
a: 7.6492
b: 6.1262
c: 8.9241
alpha: 90
beta: 112.195
gamma: 90
cell_volume: 387.202
crystal_density: 6.156
atoms_x: GMoTAJA+8P8AAAAAAAAAAAAAAACIHiIAiB4iAEigOgBIoDoAcBIeACC/GwBAVzEA0I8sALCzAABwrgQAUDYLAIBbEAA=
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atoms_sites:
["Pb1", "Pb2", "Mn", "Fe", "Zn", "V1", "As1", "V2", "As2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "H"]

atoms_aniso_label:
["Pb1", "Pb2", "Mn", "Fe", "Zn", "V1", "As1", "V2", "As2", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]

qdat:
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formula: Na.73 Ca.13 Nb1.96 Ti.02 Si.02 Al.01 O9 H7
compound: Poudrette quarry, Quebec, Canada
formula_title: <missing>
a: 10.119
b: 6.436
c: 12.682
alpha: 90
beta: 99.91
gamma: 90
cell_volume: 813.603
crystal_density: 2.914
pub_title:
 Franconite, NaNb2O5(OH)*3H2O: structure determination and the role of H bonding,
 with comments on the crystal chemistry of franconite-related minerals

atoms_sites:
["Na1", "Ca1", "Nb1", "Ti1", "Si1", "Al1", "Nb2", "Ti2", "Si2", "Al2", "O1", "O2", "O3", "O4", "O5", "O6", "Ow7", "Ow8", "Ow9", "H1", "H2", "H3", "H4", "H5", "H6", "H7"]

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_u_iso:
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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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qdat:
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formula: Fe4 O5
compound: Synthetic
formula_title: Fe4O5
a: 2.8964
b: 9.8225
c: 12.5808
alpha: 90
beta: 90
gamma: 90
cell_volume: 357.922
crystal_density: 5.630
atoms_sites: ["Fe1", "Fe2", "Fe3", "O1", "O2", "O3"]
atoms_x: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA
atoms_y: AAAAAJA3EACw+R4AQMQKAECbFQDgdAUA
atoms_z: AAAAAIAUBwBAQg8AQEIPAODMIADwMycA
atoms_occupancy: 0
atoms_u_iso: oAkBAAB3AQDA1AEAAIn+/+AuAABAJf//
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:
 Synthesis and recovery of bulk Fe4O5 from magnetite, Fe3O4. A member of a self-
 similar series of structures for the lower mantle and transition zone

qdat:
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formula: Fe2 As S O14 H11
compound: Santa Elena mine, San Juan Province, Argentina
formula_title: <missing>
a: 6.5298
b: 18.5228
c: 9.6344
alpha: 90
beta: 97.444
gamma: 90
cell_volume: 1155.461
crystal_density: 2.608
atoms_x: kMnn/yA48//QFe3/sPf9/4Dl+f/Q8+H/4Pjv//DG6f/Aq/P/4DDv/3D19P8QSfL/ED7f/4DY3v9gAPX/8O4lAHCr+P/gbjgA
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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:
 The crystal structure of sarmientite, Fe3+2(AsO4)(SO4)(OH)*5H2O,
 solved ab initio from laboratory powder diffraction data

atoms_sites:
["Fe1", "Fe2", "As1", "S1", "O1", "O2", "O3", "O4", "Wat5", "Wat6", "Wat7", "O-H8", "Wat9", "Wat10", "O11", "O12", "O13", "O14"]

qdat:
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formula: Cu3.296 Mg.704 Cl2 O6 H6
compound: Santo Domingo mine, Arica Province, Chile
pub_title: Tondiite, Cu3Mg(OH)6Cl2, the Mg-analogue of herbertsmithite Note: Sample IIa
formula_title: <missing>
a: 6.8345
b: 6.8345
c: 14.0022
alpha: 90
beta: 90
gamma: 120
cell_volume: 566.422
crystal_density: 3.514
atoms_sites: ["Cu1", "Cu2", "Mg2", "Cl", "O", "H"]
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formula: (Na.53 Ca.47) (Al.53 Fe.47) Si2 O6
compound: Synthetic
formula_title: <missing>
a: 9.616
b: 8.804
c: 5.274
alpha: 90
beta: 106.67
gamma: 90
cell_volume: 427.728
crystal_density: 3.474
atoms_sites: ["Na", "Ca", "Al", "Fe", "Si", "O1", "O2", "O3"]
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pub_title:
 Thermal expansion in C2/c pyroxenes: a review and new high-temperature structural
 data for a pyroxene of composition (Na0.53Ca0.47)(Al0.53Fe0.47)Si2O6 (Jd53Hd47)
 Note: T = 300 C

qdat:
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formula: (Na.53 Ca.47) (Al.53 Fe.47) Si2 O6
compound: Synthetic
formula_title: <missing>
a: 9.653
b: 8.858
c: 5.288
alpha: 90
beta: 106.76
gamma: 90
cell_volume: 432.950
crystal_density: 3.432
atoms_sites: ["Na", "Ca", "Al", "Fe", "Si", "O1", "O2", "O3"]
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pub_title:
 Thermal expansion in C2/c pyroxenes: a review and new high-temperature structural
 data for a pyroxene of composition (Na0.53Ca0.47)(Al0.53Fe0.47)Si2O6 (Jd53Hd47)
 Note: T = 700 C

qdat:
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formula: Pb O H I
compound: Synthetic
formula_title: Pb(OH)I
a: 7.8244
b: 4.2107
c: 10.4724
alpha: 90
beta: 90
gamma: 90
cell_volume: 345.026
crystal_density: 6.759
atoms_sites: ["Pb", "O", "H", "I"]
atoms_x: IAMyAKDFNQAAYy4AcGQhAA==
atoms_y: QEIPAMC98P/AvfD/QEIPAA==
atoms_z: sHwjAKDeHABABhkAYJETAA==
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atoms_aniso_u13: kGUAAMBj//9AHwAA
atoms_aniso_u23: AAAAAAAAAAAAAAAA
pub_title:
 Crystal structure of a novel synthetic compound, Pb2O(OH)I, and structure
 refinement of iodolaurionite, Pb(OH)I: hydroxo- and oxocentred units in Pb
 minerals and synthetic compounds

qdat:
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formula: Pb2 O2 H I
compound: Synthetic
formula_title: Pb2O(OH)I
a: 13.711
b: 4.0975
c: 9.584
alpha: 90
beta: 110.64
gamma: 90
cell_volume: 503.877
crystal_density: 7.571
atoms_sites: ["Pb1", "Pb2", "O1", "O2", "H1", "I"]
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atoms_u_iso: UEABAJB4AQBAlgEAQJYBAGBhAgBgmQEA
atoms_aniso_label: ["Pb1", "Pb2", "O1", "O2", "I"]
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pub_title:
 Crystal structure of a novel synthetic compound, Pb2O(OH)I, and structure
 refinement of iodolaurionite, Pb(OH)I: hydroxo- and oxocentred units in Pb
 minerals and synthetic compounds

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formula: Nb1.56 Ti1.395 Zn1.2 Na1.43 Si4 O22 H11
compound: Mt. Malyi Punkaruaiv, Lovozero alkaline complex, Kola Peninsula, Russia
formula_title: <missing>
a: 8.975
b: 8.979
c: 12.135
alpha: 74.328
beta: 80.651
gamma: 73.959
cell_volume: 900.819
crystal_density: 2.944
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pub_title:
 Zvyaginite, NaZnNb2Ti[Si2O7]2O(OH,F)3(H2O)4+x(x<1), a new mineral of the epistolite
 group from the Lovozero alkaline pluton, Kola Peninsula, Russia

atoms_sites:
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formula: Pb.95 Ca.17 Bi.9 Cu5.81 Se4 O18 H3
compound: El Dragon mine, Potosi Department, Bolivia
pub_title: Favreauite, a new selenite mineral from the El Dragon mine, Bolivia Note: T = 100 K
formula_title: <missing>
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b: 9.860
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gamma: 90
cell_volume: 943.030
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formula: Cu2 P O5 H
compound: Synthetic
pub_title: Low-temperature structural phase transition in synthetic libethenite Cu2PO4OH Note: T = 180 K
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formula: Cu2 P O5 H
compound: Synthetic
pub_title: Low-temperature structural phase transition in synthetic libethenite Cu2PO4OH Note: T = 120 K
formula_title: <missing>
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formula: Cu3.38 Mg.6 Mn.1 Ni.1 Cl2 O6 H6
compound: Cuya village, Camarones Valley, Arica Province, Chile
formula_title: <missing>
a: 13.689
b: 13.689
c: 14.025
alpha: 90
beta: 90
gamma: 120
cell_volume: 2276.024
crystal_density: 3.622
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pub_title:
 Paratacamite-(Mg), Cu3(Mg,Cu)Cl2(OH)6; a new substituted basic copper
 chloride mineral from Camerones, Chile

atoms_sites:
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formula: Ca Si O3
compound: Nabi Musa dome, Israel
pub_title: Natural pseudowollastonite: Crystal structure, associated minerals, and geological context
formula_title: <missing>
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b: 11.86962
c: 19.6255
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formula: Ca.62 Na.28 Fe1.72 Al7.47 Mg.6 Ti.06 Si5.15 B3 O31 H4
compound: Kiura mine, Saiki City, Oita Prefecture, Japan
formula_title: <missing>
a: 15.9290
b: 15.9290
c: 7.1830
alpha: 90
beta: 90
gamma: 120
cell_volume: 1578.387
crystal_density: 3.230
pub_title:
 Adachiite, a Si-poor member of the tourmaline supergroup from the Kiura mine,
 Oita Prefecture, Japan

atoms_sites:
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formula: (Mn1.8 Fe.2) Mo3 O8
compound: Shobu area, Ise City, Mie Prefecture, Japan
pub_title: Iseite, Mn2Mo3O8, a new mineral from Ise, Mie Prefecture, Japan
formula_title: <missing>
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b: 5.8052
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formula: U As4 (O20 H16)
compound: Geschieber vein, Jachymov ore district, Western Bohemia, Czech Republic
pub_title: Vysokyite, U4+[AsO2(OH)2]4*4H2O, a new mineral from Jachymov, Czech Republic
formula_title: <missing>
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b: 5.044
c: 19.1778
alpha: 89.872
beta: 121.534
gamma: 76.508
cell_volume: 852.039
crystal_density: 3.406
atoms_occupancy: 0
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formula: Ca2 Fe1.6 Mn.32 Mg.07 Al.01 Si5 O15 H
compound: Yakuri mine, Japan
formula_title: <missing>
a: 7.4753
b: 11.6397
c: 6.6897
alpha: 91.594
beta: 93.934
gamma: 104.312
cell_volume: 562.074
crystal_density: 3.371
pub_title:
 Structural variation of babingtonite depending on cation
 distribution at the octahedral sites
 Note: Sample 1

atoms_sites:
["Ca1", "Ca2", "Fe1", "Mn1", "Mg1", "Fe2", "Al2", "Si1", "Si2", "Si3", "Si4", "Si5", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "H1"]

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_u_iso:
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atoms_aniso_label:
["Ca1", "Ca2", "Fe1", "Mn1", "Mg1", "Fe2", "Al2", "Si1", "Si2", "Si3", "Si4", "Si5", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15"]

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: Ca2 Fe1.49 Mn.28 Mg.21 Al.02 Si5 O15 H
compound: Gronsjoberget, Sweden
formula_title: <missing>
a: 7.4771
b: 11.6376
c: 6.6841
alpha: 91.591
beta: 93.861
gamma: 104.337
cell_volume: 561.633
crystal_density: 3.346
pub_title:
 Structural variation of babingtonite depending on cation
 distribution at the octahedral sites
 Note: Sample 2

atoms_sites:
["Ca1", "Ca2", "Fe1", "Mn1", "Mg1", "Fe2", "Al2", "Si1", "Si2", "Si3", "Si4", "Si5", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "H1"]

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_u_iso:
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atoms_aniso_label:
["Ca1", "Ca2", "Fe1", "Mn1", "Mg1", "Fe2", "Al2", "Si1", "Si2", "Si3", "Si4", "Si5", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15"]

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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