# cif

formula: K3 Na U C3 O12 H2
compound: Jachymov, Czech Republic
formula_title: <missing>
a: 9.3000
b: 9.3000
c: 8.2940
alpha: 90
beta: 90
gamma: 120
cell_volume: 621.242
crystal_density: 3.252
atoms_sites: ["K", "Na", "U", "C", "O1", "O2", "O3", "O4", "Wat5"]
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pub_title:
 The crystal chemistry of the uranyl carbonate mineral grimselite,
 (K,Na)3Na[(UO2)(CO3)3](H2O), from Jachymov, Czech Republic
 Note: Sample B

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formula: (Sr1.913 Ca.087) B11 O22 H7
compound: Emet deposit, Kutahya, Turkey
formula_title: <missing>
a: 6.6378
b: 6.7387
c: 20.982
alpha: 87.860
beta: 82.6960
gamma: 60.476
cell_volume: 809.684
crystal_density: 2.662
pub_title:
 Veatchite: structural relationships of the three polytypes
 Note: low-T, low-P polytype veatchite-1A

atoms_sites:
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formula: (Sr1.699 Ca.301) B11 O22 H7
compound: Konigshall-Hindenburg potash-salt mine, Reyershausen, Germany
formula_title: <missing>
a: 6.7127
b: 20.704
c: 6.6276
alpha: 90
beta: 119.209
gamma: 90
cell_volume: 803.980
crystal_density: 2.639
pub_title:
 Veatchite: structural relationships of the three polytypes
 Note: high-T polytype veatchite-1M, formally known as veatchite-p

atoms_sites:
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formula: (Sr1.38 Ca.62) B11 O22 H7
compound: Penobsquis deposit, Sussex, New Brunswick, Canada
formula_title: <missing>
a: 6.6070
b: 11.7125
c: 20.6848
alpha: 90
beta: 91.998
gamma: 90
cell_volume: 1599.709
crystal_density: 2.590
pub_title:
 Veatchite: structural relationships of the three polytypes
 Note: moderate-T, high-P polytype veatchite-2M

atoms_sites:
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formula: Na1.25 Ca.99 Mn.33 Fe.31 Nb.09 Zr.73 Ti.26 Si2 O8 F
compound: the Lovozero alkaline massif, Kola Peninsula, Russia
pub_title: Crystal structure of lavenite
formula_title: <missing>
a: 10.540
b: 9.90
c: 7.14
alpha: 90
beta: 108.20
gamma: 90
cell_volume: 707.758
crystal_density: 3.702
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formula: Zn2.82 Fe.08 Mn.05 Mg.05 As2 O12 H7
compound: Tsumeb, Namibia
pub_title: Arsenohopeite, a new zinc arsenate mineral from the Tsumeb mine, Namibia
formula_title: <missing>
a: 10.804
b: 19.003
c: 5.112
alpha: 90
beta: 90
gamma: 90
cell_volume: 1049.537
crystal_density: 3.428
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formula: Fe Si2
compound: Synthetic
pub_title: A note on the compositions and crystal structures of MnB2, Mn3Si, Mn5Si3 and FeSi2
formula_title: <missing>
a: 2.684
b: 2.684
c: 5.128
alpha: 90
beta: 90
gamma: 90
cell_volume: 36.941
crystal_density: 5.035
atoms_sites: ["Fe", "Si"]
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formula: Mn5 Si3
compound: Synthetic
pub_title: A note on the compositions and crystal structures of MnB2, Mn3Si, Mn5Si3 and FeSi2
formula_title: <missing>
a: 6.91
b: 6.91
c: 4.814
alpha: 90
beta: 90
gamma: 120
cell_volume: 199.064
crystal_density: 5.988
atoms_sites: ["Mn1", "Mn2", "Si"]
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formula: Mn B2
compound: Synthetic
pub_title: A note on the compositions and crystal structures of MnB2, Mn3Si, Mn5Si3 and FeSi2
formula_title: MnB2
a: 3.007
b: 3.007
c: 3.037
alpha: 90
beta: 90
gamma: 120
cell_volume: 23.782
crystal_density: 5.346
atoms_sites: ["Mn", "B"]
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formula: Mn3 Si
compound: Synthetic
pub_title: A note on the compositions and crystal structures of MnB2, Mn3Si, Mn5Si3 and FeSi2
formula_title: Mn3Si
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formula: Ca1.98 Mn.14 Fe2.76 Si8 O32 H20
compound: Aris phonolite, Namibia
formula_title: <missing>
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b: 17.825
c: 5.242
alpha: 90
beta: 103.5
gamma: 90
cell_volume: 1300.980
crystal_density: 2.548
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pub_title:
 Windhoekite, Ca2Fe3+3-x(Si8O20)(OH)4*10H2O, a new palygorskite-group mineral
 from the Aris phonolite, Namibia
 Note: the chemical formula for this mineral cannot be obtained from the
 crystal structure. The structure is missing two oxygens, and
 the OH positions were not given.

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cell_volume: 3446.456
crystal_density: 3.072
pub_title:
 Bobdownsite, a new mineral species from Big Fish River, Yukon, Canada,
 and its structural relationship with whitlockite-type compounds

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formula_title: <missing>
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alpha: 90
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cell_volume: 3420.697
crystal_density: 3.071
pub_title:
 Bobdownsite, a new mineral species from Big Fish River, Yukon, Canada,
 and its structural relationship with whitlockite-type compounds
 Sample number R050109

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formula: Ca9 (Mg.96 Al.04) P6.97 O27.16 (F.84 H.16)
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formula_title: <missing>
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alpha: 90
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cell_volume: 3433.232
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pub_title:
 Bobdownsite, a new mineral species from Big Fish River, Yukon, Canada,
 and its structural relationship with whitlockite-type compounds
 Sample number R070654

atoms_sites:
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formula: La (Ta Ti) O6
compound: Synthetic
formula_title: <missing>
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c: 5.4614
alpha: 90
beta: 90
gamma: 90
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pub_title:
 Structural studies of the aeschynite-euxenite transformation in
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pub_title:
 Structural studies of the aeschynite-euxenite transformation in
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pub_title:
 Structural studies of the aeschynite-euxenite transformation in
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formula: Ho (Ti Ta) O6
compound: Synthetic
formula_title: <missing>
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b: 5.5637
c: 5.2030
alpha: 90
beta: 90
gamma: 90
cell_volume: 423.323
crystal_density: 7.685
atoms_sites: ["Ho", "Ti", "Ta", "O1", "O2", "O3"]
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qdat:
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formula: Tm (Ti Ta) O6
compound: Synthetic
formula_title: <missing>
a: 14.5706
b: 5.5339
c: 5.1832
alpha: 90
beta: 90
gamma: 90
cell_volume: 417.933
crystal_density: 7.847
atoms_sites: ["Tm", "Ti", "Ta", "O1", "O2", "O3"]
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qdat:
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formula: Yb (Ti Ta) O6
compound: Synthetic
formula_title: <missing>
a: 14.5478
b: 5.5289
c: 5.1683
alpha: 90
beta: 90
gamma: 90
cell_volume: 415.704
crystal_density: 7.955
atoms_sites: ["Yb", "Ti", "Ta", "O1", "O2", "O3"]
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qdat:
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formula: Lu (Ti Ta) O6
compound: Synthetic
formula_title: <missing>
a: 14.5288
b: 5.5226
c: 5.1572
alpha: 90
beta: 90
gamma: 90
cell_volume: 413.797
crystal_density: 8.023
atoms_sites: ["Lu", "Ti", "Ta", "O1", "O2", "O3"]
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qdat:
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formula: Eu2 Ta2 O7
compound: Synthetic
formula_title: Eu2Ta2O7
a: 3.9542
b: 27.142
c: 5.692
alpha: 90
beta: 90
gamma: 90
cell_volume: 610.893
crystal_density: 8.457
atoms_sites: ["Eu1", "Eu2", "Ta1", "Ta2", "O1", "O2", "O3", "O4", "O5"]
atoms_x: AAAAAAAAAACAhB4AgIQeAICEHgAAAAAAgIQeAAAAAACAhB4A
atoms_y: aJURABBIGwDgvxQAgCMbAIDSEQAgTRUAUGUYAGDFGwCAhB4A
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atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: ["Eu1", "Eu2", "Ta1", "Ta2", "O1", "O2", "O3", "O5"]
atoms_aniso_u11: YIYAALCzAAAgZwAA0GsAACBIAQBAnAAAYGcBAEANAwA=
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pub_title:
 Crystal structures of dieuropium(II) ditantalum heptoxide,
 Eu2Ta2O7 and europium(II) ditantalum hexoxide, EuTa2O6

qdat:
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formula: Eu Ta2 O6
compound: Synthetic
formula_title: <missing>
a: 11.02
b: 7.640
c: 5.610
alpha: 90
beta: 90
gamma: 90
cell_volume: 472.322
crystal_density: 8.576
atoms_sites: ["Eu", "Ta", "O1", "O2", "O3", "O4"]
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pub_title:
 Crystal structures of dieuropium(II) ditantalum heptoxide,
 Eu2Ta2O7 and europium(II) ditantalum hexoxide, EuTa2O6

qdat:
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formula: (Ca.79 Sr.21) Al2 Si2 O10 H4
compound: Synthetic
formula_title: <missing>
a: 5.3032
b: 13.174
c: 5.8436
alpha: 90
beta: 123.76
gamma: 90
cell_volume: 339.416
crystal_density: 3.172
atoms_sites: ["Ca", "Sr", "Al1", "Al2", "Si", "O1", "O2", "O3", "O4", "O-H5", "Wat6"]
atoms_x: wN8UAMDfFACAhB4AgIQeAACYOgBglDgAgKEuAKBsLwAAFxEAgNgQAABjLgA=
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atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal chemistry of synthetic lawsonite solid-solution series CaAl2
 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition
 Note: run #AU63

qdat:
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formula: (Ca.68 Sr.32) Al2 Si2 O10 H4
compound: Synthetic
formula_title: <missing>
a: 5.3300
b: 13.1956
c: 5.8449
alpha: 90
beta: 123.96
gamma: 90
cell_volume: 340.967
crystal_density: 3.209
atoms_sites: ["Ca", "Sr", "Al1", "Al2", "Si", "O1", "O2", "O3", "O4", "O-H5", "Wat6"]
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atoms_aniso_u33: 0
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atoms_aniso_u23: 0
pub_title:
 Crystal chemistry of synthetic lawsonite solid-solution series CaAl2
 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition
 Note: Run #AU62

qdat:
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formula: (Ca.77 Sr.23) Al2 Si2 O10 H4
compound: Synthetic
formula_title: <missing>
a: 5.3025
b: 13.174
c: 5.8422
alpha: 90
beta: 123.72
gamma: 90
cell_volume: 339.448
crystal_density: 3.181
atoms_sites: ["Ca", "Sr", "Al1", "Al2", "Si", "O1", "O2", "O3", "O4", "O-H5", "Wat6"]
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal chemistry of synthetic lawsonite solid-solution series CaAl2
 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition
 Note: Run #AU83

qdat:
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formula: (Ca.64 Sr.36) Al2 Si2 O10 H4
compound: Synthetic
formula_title: <missing>
a: 5.3427
b: 13.2039
c: 5.8448
alpha: 90
beta: 124.10
gamma: 90
cell_volume: 341.424
crystal_density: 3.223
atoms_sites: ["Ca", "Sr", "Al1", "Al2", "Si", "O1", "O2", "O3", "O4", "O-H5", "Wat6"]
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pub_title:
 Crystal chemistry of synthetic lawsonite solid-solution series CaAl2
 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition
 Note: Run #AU86

qdat:
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formula: Ca.59 Sr.41 Al2 Si2 O10 H4
compound: Synthetic
formula_title: <missing>
a: 5.3510
b: 13.2073
c: 5.8443
alpha: 90
beta: 124.17
gamma: 90
cell_volume: 341.731
crystal_density: 3.243
atoms_sites: ["Ca", "Sr", "Al1", "Al2", "Si", "O1", "O2", "O3", "O4", "O-H5", "Wat6"]
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atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal chemistry of synthetic lawsonite solid-solution series CaAl2
 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition
 Note: Run #AU87

qdat:
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formula: (Ca.507 Sr.493) Al2 Si2 O10 H4
compound: Synthetic
formula_title: <missing>
a: 5.3640
b: 13.2175
c: 5.8452
alpha: 90
beta: 124.25
gamma: 90
cell_volume: 342.553
crystal_density: 3.274
atoms_sites: ["Ca", "Sr", "Al1", "Al2", "Si", "O1", "O2", "O3", "O4", "O-H5", "Wat6"]
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atoms_u_iso: 0
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atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal chemistry of synthetic lawsonite solid-solution series CaAl2
 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition
 Note: Run #AU82

qdat:
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formula: (Ca.273 Sr.727) Al2 Si2 O10 H4
compound: Synthetic
formula_title: <missing>
a: 5.3962
b: 13.2461
c: 5.8505
alpha: 90
beta: 124.39
gamma: 90
cell_volume: 345.092
crystal_density: 3.357
atoms_sites: ["Ca", "Sr", "Al1", "Al2", "Si", "O1", "O2", "O3", "O4", "O-H5", "Wat6"]
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atoms_occupancy: oKkQAGBfLAAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQA=
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal chemistry of synthetic lawsonite solid-solution series CaAl2
 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition
 Note: Run #AU91

qdat:
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formula: (Ca.375 Sr.625) Al2 Si2 O10 H4
compound: Synthetic
formula_title: <missing>
a: 5.3849
b: 13.2377
c: 5.8489
alpha: 90
beta: 124.35
gamma: 90
cell_volume: 344.221
crystal_density: 3.318
atoms_sites: ["Ca", "Sr", "Al1", "Al2", "Si", "O1", "O2", "O3", "O4", "O-H5", "Wat6"]
atoms_x: kAAVAJAAFQCAhB4AgIQeALDnOgBgETkAgKEuAICbLwBghBEAIGURAMDGLQA=
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atoms_occupancy: YOMWAKAlJgAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQA=
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal chemistry of synthetic lawsonite solid-solution series CaAl2
 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition
 Note: Run #AU47

qdat:
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formula: (Ca.034 Sr.966) Al2 Si2 O10 H4
compound: Synthetic
formula_title: <missing>
a: 5.4205
b: 13.2735
c: 5.8573
alpha: 90
beta: 124.43
gamma: 90
cell_volume: 347.600
crystal_density: 3.441
atoms_sites: ["Ca", "Sr", "Al1", "Al2", "Si", "O1", "O2", "O3", "O4", "O-H5", "Wat6"]
atoms_x: 4BQVAOAUFQCAhB4AgIQeANDqOgBgCzoAgB4vAMA3MADA8REAIOIRAICtLAA=
atoms_y: wMYtAMDGLQAAAAAAAAAAACDsBwDAxi0AAL0GALA8GADQbAQAkGwDAMDGLQA=
atoms_z: wN4pAMDeKQAAAAAAgIQeAEBgPABAQDkAoJYoACChBwAgGAkAoB8nAODCEQA=
atoms_occupancy: QBMCAMD1OgAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQA=
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal chemistry of synthetic lawsonite solid-solution series CaAl2
 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition
 Note: Run #AU92

qdat:
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formula: (Ca.04 Sr.96) Al2 Si2 O10 H4
compound: Synthetic
formula_title: <missing>
a: 5.4194
b: 13.2737
c: 5.8575
alpha: 90
beta: 124.42
gamma: 90
cell_volume: 347.588
crystal_density: 3.439
atoms_sites: ["Ca", "Sr", "Al1", "Al2", "Si", "O1", "O2", "O3", "O4", "O-H5", "Wat6"]
atoms_x: ABgVAAAYFQCAhB4AgIQeAEACOwCgrTkAQP8uAIAYMACA0hEAQLMRAICtLAA=
atoms_y: wMYtAMDGLQAAAAAAAAAAACDsBwDAxi0AsMEGABBGGACwaQQAoGEDAMDGLQA=
atoms_z: 8NYpAPDWKQAAAAAAgIQeAJB0PAAAITkAwGcoAOCBBwBA6QgAQC8nAODCEQA=
atoms_occupancy: AHECAACYOgAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQA=
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal chemistry of synthetic lawsonite solid-solution series CaAl2
 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition
 Note: Run #AU88

qdat:
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formula: (Ca.019 Sr.981) Al2 Si2 O10 H4
compound: Synthetic
formula_title: <missing>
a: 5.4222
b: 13.2778
c: 5.8584
alpha: 90
beta: 124.42
gamma: 90
cell_volume: 347.929
crystal_density: 3.445
atoms_sites: ["Ca", "Sr", "Al1", "Al2", "Si", "O1", "O2", "O3", "O4", "O-H5", "Wat6"]
atoms_x: YCEVAGAhFQCAhB4AgIQeAFD3OgBAOjoA4A4vAIAYMAAg4hEAgNIRAADsLAA=
atoms_y: wMYtAMDGLQAAAAAAAAAAAJDqBwDAxi0AAL0GAMBKGABgbgQAgF4DAMDGLQA=
atoms_z: wN4pAMDeKQAAAAAAgIQeAOBvPABAQDkAoJYoAMCwBwBA6QgAQC8nACDiEQA=
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atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal chemistry of synthetic lawsonite solid-solution series CaAl2
 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition
 Note: Run #AU89

qdat:
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formula: Sr Al2 Si2 O10 H4
compound: Synthetic
formula_title: <missing>
a: 5.4231
b: 13.2761
c: 5.8583
alpha: 90
beta: 124.42
gamma: 90
cell_volume: 347.936
crystal_density: 3.453
atoms_sites: ["Sr", "Al1", "Al2", "Si", "O1", "O2", "O3", "O4", "O-H5", "Wat6"]
atoms_x: ABgVAICEHgCAhB4AEPE6AIBfOQAA4C4AgBgwAKCjEQDgwhEAQI4sAA==
atoms_y: wMYtAAAAAAAAAAAAEPcHAMDGLQAAvQYAcDYYACBoBADwdQMAwMYtAA==
atoms_z: oNspAAAAAACAhB4AQHk8AODSOAAgWCgAYMAHAADKCABALycAQLMRAA==
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal chemistry of synthetic lawsonite solid-solution series CaAl2
 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition
 Note: Run #Pt100

qdat:
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formula: (Ca.982 Sr.018) Al2 Si2 O10 H4
compound: Synthetic
formula_title: <missing>
a: 5.8422
b: 8.7904
c: 13.1344
alpha: 90
beta: 90
gamma: 90
cell_volume: 674.521
crystal_density: 3.103
atoms_sites: ["Ca", "Sr", "Al", "Si", "O1", "O2", "O3", "O-H4", "Wat5"]
atoms_x: AAAAAAAAAABAQg8AAAAAAAAAAADgrxAAAAAAAAAAAAAAAAAA
atoms_y: EF4UABBeFABAQg8AIOA7AED0AgBAKxcA4HsIAPABJwCgKyUA
atoms_z: QEIPAEBCDwAAAAAAkBwIAEBCDwDwKwcAMPkDAPD4AgBAQg8A
atoms_occupancy: wO87AEAZAQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
atoms_aniso_u33: 0
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal chemistry of synthetic lawsonite solid-solution series CaAl2
 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition
 Note: Run #AU76

qdat:
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formula: (Ca.971 Sr.029) Al2 Si2 O10 H4
compound: Synthetic
formula_title: <missing>
a: 5.8417
b: 8.7904
c: 13.1345
alpha: 90
beta: 90
gamma: 90
cell_volume: 674.468
crystal_density: 3.108
atoms_sites: ["Ca", "Sr", "Al", "Si", "O1", "O2", "O3", "O-H4", "Wat5"]
atoms_x: AAAAAAAAAABAQg8AAAAAAAAAAADQoRAAAAAAAAAAAAAAAAAA
atoms_y: gEMUAIBDFABAQg8AUNg7AJDvAgBAKxcAMHcIAJARJwAAHCUA
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atoms_occupancy: 4EM7ACDFAQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal chemistry of synthetic lawsonite solid-solution series CaAl2
 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition
 Note: Run #AU77

qdat:
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formula: (Ca.965 Sr.035) Al2 Si2 O10 H4
compound: Synthetic
formula_title: <missing>
a: 5.8415
b: 8.7916
c: 13.1360
alpha: 90
beta: 90
gamma: 90
cell_volume: 674.614
crystal_density: 3.110
atoms_sites: ["Ca", "Sr", "Al", "Si", "O1", "O2", "O3", "O-H4", "Wat5"]
atoms_x: AAAAAAAAAABAQg8AAAAAAAAAAABgoxAAAAAAAAAAAAAAAAAA
atoms_y: AFAUAABQFABAQg8AkN47AADuAgBAKxcAgHIIADAIJwAAHCUA
atoms_z: QEIPAEBCDwAAAAAAIB4IAEBCDwDwKwcAwPoDABD8AgBAQg8A
atoms_occupancy: IOY6AOAiAgAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0A
atoms_u_iso: 0
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atoms_aniso_u33: 0
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal chemistry of synthetic lawsonite solid-solution series CaAl2
 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition
 Note: Run #AU78

qdat:
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formula: (Ca.979 Sr.021) Al2 Si2 O10 H4
compound: Synthetic
formula_title: <missing>
a: 5.8419
b: 8.7940
c: 13.1393
alpha: 90
beta: 90
gamma: 90
cell_volume: 675.014
crystal_density: 3.102
atoms_sites: ["Ca", "Sr", "Al", "Si", "O1", "O2", "O3", "O-H4", "Wat5"]
atoms_x: AAAAAAAAAABAQg8AAAAAAAAAAACwhRAAAAAAAAAAAAAAAAAA
atoms_y: MEgUADBIFABAQg8A8M47AMDOAgCQJhcAEI0IAPDPJgCA3SQA
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atoms_occupancy: 4MA7ACBIAQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0A
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atoms_aniso_u33: 0
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atoms_aniso_u23: 0
pub_title:
 Crystal chemistry of synthetic lawsonite solid-solution series CaAl2
 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition
 Note: Run #AU79

qdat:
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formula: (Ca.889 Sr.111) Al2 Si2 O10 H4
compound: Synthetic
formula_title: <missing>
a: 5.8439
b: 8.8112
c: 13.1618
alpha: 90
beta: 90
gamma: 90
cell_volume: 677.724
crystal_density: 3.131
atoms_sites: ["Ca", "Sr", "Al", "Si", "O1", "O2", "O3", "O-H4", "Wat5"]
atoms_x: AAAAAAAAAABAQg8AAAAAAAAAAADgyBAAAAAAAAAAAAAAAAAA
atoms_y: IFMUACBTFABAQg8AAPY7AOAcAwCgAhcA4HsIAEAvJwDA/CQA
atoms_z: QEIPAEBCDwAAAAAA0CIIAEBCDwBwUQcAAOgDAKD9AgBAQg8A
atoms_occupancy: oEI2AGDGBgAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal chemistry of synthetic lawsonite solid-solution series CaAl2
 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition
 Note: Run #AU63

qdat:
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formula: (Ca.807 Sr.193) Al2 Si2 O10 H4
compound: Synthetic
formula_title: <missing>
a: 5.8457
b: 8.8286
c: 13.1834
alpha: 90
beta: 90
gamma: 90
cell_volume: 680.387
crystal_density: 3.157
atoms_sites: ["Ca", "Sr", "Al", "Si", "O1", "O2", "O3", "O-H4", "Wat5"]
atoms_x: AAAAAAAAAABAQg8AAAAAAAAAAAAAmhAAAAAAAAAAAAAAAAAA
atoms_y: gEMUAIBDFABAQg8AwO87AICvAgAgQRcAAE0IAAAQJwDgRCYA
atoms_z: QEIPAEBCDwAAAAAA0FQIAEBCDwDw+QYAwEUEAOAcAwBAQg8A
atoms_occupancy: YEExAKDHCwAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0A
atoms_u_iso: 0
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atoms_aniso_u22: 0
atoms_aniso_u33: 0
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal chemistry of synthetic lawsonite solid-solution series CaAl2
 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition
 Note: Run #AU62

qdat:
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formula: (Ca.82 Sr.18) Al2 Si2 O10 H4
compound: Synthetic
formula_title: <missing>
a: 5.8433
b: 8.8169
c: 13.1726
alpha: 90
beta: 90
gamma: 90
cell_volume: 678.650
crystal_density: 3.159
atoms_sites: ["Ca", "Sr", "Al", "Si", "O1", "O2", "O3", "O-H4", "Wat5"]
atoms_x: AAAAAAAAAABAQg8AAAAAAAAAAABgihAAAAAAAAAAAAAAAAAA
atoms_y: ADcUAAA3FABAQg8AAN07AKD9AgAgQRcAwKoIAKAfJwBAOyUA
atoms_z: QEIPAEBCDwAAAAAAwBQIAEBCDwDwKwcAQAcEAKD9AgBAQg8A
atoms_occupancy: gAwyAID8CgAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal chemistry of synthetic lawsonite solid-solution series CaAl2
 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition
 Note: Run #AU83

qdat:
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formula: Ca Al2 Si2 O10 H4
compound: Synthetic
formula_title: <missing>
a: 5.849
b: 8.790
c: 13.132
alpha: 90
beta: 90
gamma: 90
cell_volume: 675.152
crystal_density: 3.091
atoms_sites: ["Ca", "Al", "Si", "O1", "O2", "O3", "O-H4", "Wat5"]
atoms_x: AAAAAEBCDwAAAAAAAAAAAMD3EAAAAAAAAAAAAAAAAAA=
atoms_y: cIAUAEBCDwCQKTwAwM4CAPBIFwCgVgkA8M8mAACfJAA=
atoms_z: QEIPAAAAAADgswcAQEIPAKDlBgBQmAMA0NwCAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 A high-pressure study of lawsonite using angle-dispersive
 powder-diffraction methods with synchrotron radiation
 Note: Run #BN82, P = 0 GPa

qdat:
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formula: Ca Al2 Si2 O10 H4
compound: Synthetic
formula_title: <missing>
a: 5.714
b: 8.592
c: 12.871
alpha: 90
beta: 90
gamma: 90
cell_volume: 631.898
crystal_density: 3.303
atoms_sites: ["Ca", "Al", "Si", "O1", "O2", "O3", "O-H4", "Wat5"]
atoms_x: AAAAAEBCDwAAAAAAAAAAAODIEAAAAAAAAAAAAAAAAAA=
atoms_y: IFMUAEBCDwBgGDwAIDYEACBBFwCgUAoAoCUmAAAiJAA=
atoms_z: QEIPAAAAAAAQxQcAQEIPALBwBwDgHAMAIDwDAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 A high-pressure study of lawsonite using angle-dispersive
 powder-diffraction methods with synchrotron radiation
 Note: Run #BN89, P = 9.8 GPa

qdat:
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formula: Ca Al2 Si2 O10 H4
compound: Synthetic
formula_title: <missing>
a: 5.197
b: 12.863
c: 5.681
alpha: 90
beta: 124.48
gamma: 90
cell_volume: 313.053
crystal_density: 3.334
atoms_sites: ["Ca", "Al1", "Al2", "Si", "O1", "O2", "O3", "O4", "O-H5", "Wat6"]
atoms_x: wOsSAICEHgCAhB4AwAE5AABLMgDgFC4AgI8xAEC5EABAsxEAwMwsAA==
atoms_y: wMYtAAAAAAAAAAAA4BcIAMDGLQAAUwcAQAwYAIAmBABAigMAwMYtAA==
atoms_z: gEgoAAAAAACAhB4A4E85AEBkMwDA5CgA4GMMAGC0CQDAcyYAQDASAA==
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 A high-pressure study of lawsonite using angle-dispersive
 powder-diffraction methods with synchrotron radiation
 Note: Run #BN90, P = 11.9 GPa

qdat:
AAAAAAAAAAAAAAAAIAAAAAIBEBACAIAAEQEAAAAECEQAGEEGhEAkCCCIAAhAEQkCpQckDykEkJUwiYFgSMBpUhJA4lBMLGAwylwYDhIqRfkAwMShxwkC2GAzAh0JeuectEJaEzZQaUsE6AlhuVbNXbZo5wlklcWRMSbChn==


formula: Ca Al2 Si2 O10 H4
compound: Synthetic
formula_title: <missing>
a: 5.178
b: 12.787
c: 5.634
alpha: 90
beta: 124.67
gamma: 90
cell_volume: 306.798
crystal_density: 3.402
atoms_sites: ["Ca", "Al1", "Al2", "Si", "O1", "O2", "O3", "O4", "O-H5", "Wat6"]
atoms_x: IOgQAICEHgCAhB4AoDA5AEBkMwBg0C4AwJA2AGAHEQBAvw8AwNgqAA==
atoms_y: wMYtAAAAAAAAAAAAgA4IAMDGLQDgBAcAAO0XAOCTBAAAawMAwMYtAA==
atoms_z: oJwnAAAAAACAhB4AAJ45AKA8NwAgzykAYJAPAKBQCgCgJSYAQL8PAA==
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 A high-pressure study of lawsonite using angle-dispersive
 powder-diffraction methods with synchrotron radiation
 Note: Run #BN97, P = 16.5 GPa

qdat:
AAAAAAAAAAAAAAAAIAAAAACAiBABAEAABIBAAAABAhCABQhBkRAFAQQhAAEgAiMQmMBRIOigShSOCiAWCJAC71ERDhdBwWMESmaSQJBisMfkAwwfB5w2C2SAzAhwhqWVlPOjOCbHCbkcBOAYIVHP2XLd0+eXOEeiSmQaWy==


formula: Pb2 Al3 Si3 O13 H
compound: Synthetic
pub_title: Synthesis of Pb-zoisite and Pb-lawsonite
formula_title: Pb2Al3Si3O12(OH)
a: 16.4529
b: 5.6432
c: 10.3631
alpha: 90
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pub_title:
 The crystal chemistry of lizardite-1T from northern
 Apennines ophiolites near Modena, Italy
 Note: Pompeano 3, polytype 1T

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pub_title:
 The crystal chemistry of lizardite-1T from northern
 Apennines ophiolites near Modena, Italy
 Note: Pompeano 4, polytype 1T

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compound: Sassomorello, Modena Apennines, Italy
formula_title: <missing>
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cell_volume: 178.393
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pub_title:
 The crystal chemistry of lizardite-1T from northern
 Apennines ophiolites near Modena, Italy
 Note: sample Sassomorello, polytype 1T

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formula: Si1.888 Al.223 Fe.141 Mg2.742 O9 H4
compound: Varana, Modena Apennines, Italy
formula_title: <missing>
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pub_title:
 The crystal chemistry of lizardite-1T from north
 Apennines ophiolites near Modena, Italy
 Note: Varana 1, polytype 1T

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formula: Si1.882 Al.235 Fe.147 Mg2.733 O9 H4
compound: Varana, Modena Apennines, Italy
formula_title: <missing>
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pub_title:
 The crystal chemistry of lizardite-1T from north
 Apennines ophiolites near Modena, Italy
 Note: Varana 2, polytype 1T

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formula: Si1.904 Al.201 Fe.339 Mg2.544 O9 H4
compound: Santa Scolastica, Modena Apennines, Italy
formula_title: <missing>
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b: 5.3263
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gamma: 120
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pub_title:
 The crystal chemistry of lizardite-1T from north
 Apennines ophiolites near Modena, Italy
 Note: sample Santa Scolastica, polytype 1T

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formula: B O2 H
compound: Synthetic
pub_title: The crystal structure of monoclinic metaboric acid
formula_title: <missing>
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formula: (Sr3.4 Ce.6) Zr.91 Fe.366 Ti3.724 Si4 O22
compound: Saima alkaline complex, Liaoning Province, NE China
formula_title: <missing>
a: 13.973
b: 5.6984
c: 11.988
alpha: 90
beta: 114.10
gamma: 90
cell_volume: 871.327
crystal_density: 4.300
pub_title:
 Hezuolinite, (Sr,REE)4Zr(Ti,Fe3+,Fe2+)2Ti2O8(Si2O7)2, a new mineral species of
 the chevkinite group from Saima alkaline complex, Liaoning Province, NE China

atoms_sites:
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formula: Bi6 Mg10.76 Co.24 Fe14 As18 O174 H176
compound: Bou Azzer, Anti-Atlas, Morocco
formula_title: <missing>
a: 13.6322
b: 30.469
c: 18.4671
alpha: 90
beta: 91.134
gamma: 90
cell_volume: 7668.983
crystal_density: 2.867
pub_title:
 Mineralogy and crystal structure of bouazzerite from Bou Azzer, Anti-Atlas, Morocco:
 Bi-As-Fe nanoclusters containing Fe3+ in trigonal prismatic coordination

atoms_sites:
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atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

atoms_u_iso:

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formula: Na3 Al V10 O50 H44
compound: Sunday mine, San Miguel county, Colorado
formula_title: <missing>
a: 8.668
b: 10.295
c: 12.908
alpha: 105.826
beta: 97.899
gamma: 103.385
cell_volume: 1053.064
crystal_density: 2.286
atoms_occupancy: 0
pub_title:
 Hughesite, Na3Al(V10O28)*22H2O, a new member of the pascoite family of minerals
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 Thermal expansion of alunite up to dehydroxylation
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 Thermal expansion of alunite up to dehydroxylation
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 Note: T = 500 C

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formula: K2 Ca1.325 Mg.67 S3 O12
compound: Tolbachik volcano, Kamchatka, Russia
pub_title: Calciolangbeinite, K2Ca2(SO4)3, a new mineral from the Tolbachik volcano, Kamchatka, Russia
formula_title: <missing>
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b: 10.19
c: 10.19
alpha: 90
beta: 90
gamma: 90
cell_volume: 1058.090
crystal_density: 2.736
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formula: Ca6 Al6.772 Fe.228 O16.748 Cl.624
compound: Ettringer Bellerberg volcano near Mayen, Eifel district, Germany
formula_title: <missing>
a: 12.0320
b: 12.0320
c: 12.0320
alpha: 90
beta: 90
gamma: 90
cell_volume: 1741.861
crystal_density: 2.768
atoms_sites: ["Ca", "Al1", "Fe1", "Al2", "O1", "O2", "O2a", "Cl"]
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atoms_u_iso: qFwAAIBIAACASAAA8DIAAGhqAACQeQAAoHMAAMCPAAA=
atoms_aniso_label: ["Ca", "Al1", "Fe1", "Al2", "O1", "O2", "O2a", "Cl"]
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pub_title:
 A reinvestigation of mayenite from the type locality, the Ettringer Bellerberg
 volcano near Mayen, Eifel district, Germany

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formula: Fe3 P2 O16 H14
compound: Boa Vista pegmatite, near Galileia, Minas Gerais, Brazil
pub_title: Metavivianite, Fe2+Fe3+2(PO4)2(OH)2*6H2O: new data and formula revision
formula_title: <missing>
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b: 9.321
c: 4.629
alpha: 97.34
beta: 95.96
gamma: 108.59
cell_volume: 320.184
crystal_density: 2.591
atoms_sites: ["Fe1", "Fe2", "P", "O1", "O2", "O3", "O4", "O-H1", "Wat1", "Wat2", "O-H3", "Wat3", "Wat4"]
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formula: Ag9 Hg.5 As6 S12.14 Te1.86
compound: Lengenbach quarry, Binn valley, Switzerland
formula_title: <missing>
a: 7.832
b: 8.606
c: 10.755
alpha: 95.563
beta: 95.880
gamma: 116.79
cell_volume: 635.282
crystal_density: 5.613
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atoms_aniso_u22: 0
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atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Debattistiite, Ag9Hg0.5As6S12Te2, a new Te-bearing sulfosalt from Lengenbach
 quarry, Binn valley, Switzerland: description and crystal structure

atoms_sites:
["Ag1", "Ag2", "Ag3", "Ag4", "Hg4", "Ag5", "As1", "As2", "As3", "S1", "S2", "S3", "S4", "S5", "S6", "Te1", "STe"]

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formula: Ti2.09 Mn.57 Na2.55 Ca.14 Fe.03 Al.02 Nb.63 Si4 Ba.7 Sr.28 K.21 O21.42 F.6 H9.44
compound: Khibiny alkaline massif, Kola Peninsula, Russia
formula_title: <missing>
a: 5.4260
b: 7.135
c: 25.514
alpha: 98.172
beta: 90.916
gamma: 89.964
cell_volume: 977.606
crystal_density: 2.926
atoms_aniso_label: "<missing>"
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pub_title:
 Kazanskyite, BaTiNbNa3Ti(Si2O7)2O2(OH)2(H2O)4, a Group-III Ti-disilicate mineral from
 the Khibiny alkaline massif, Kola Peninsula, Russia: description and crystal structure

atoms_sites:
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atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

atoms_u_iso:

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formula: Ca4 Si3 O11 H2
compound: Ikizdere, Turkey
formula_title: <missing>
a: 20.5805
b: 10.3240
c: 9.1053
alpha: 90
beta: 90
gamma: 90
cell_volume: 1934.631
crystal_density: 2.902
atoms_occupancy: 0
pub_title:
 Trabzonite, Ca4[Si3O9(OH)]OH: crystal structure, revised formula, new occurrence
 and relation to killalaite

atoms_sites:
["Ca1", "Ca2", "Ca3", "Ca4", "Ca5", "Ca6", "Si1", "Si2", "Si3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "H10", "H11", "H12"]

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formula: Ca6.32 H3.36 Si4 O16
compound: Northern Caucasus, Russia
formula_title: <missing>
a: 6.824
b: 15.465
c: 6.839
alpha: 90
beta: 97.692
gamma: 90
cell_volume: 715.247
crystal_density: 2.902
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pub_title:
 Trabzonite, Ca4[Si3O9(OH)]OH: crystal structure, revised formula, new occurrence
 and relation to killalaite

atoms_sites:
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formula: Mn3 Fe2 Si3 O12
compound: Calculated structure
pub_title: Parameterization of energy and interactions in garnets: End-member properties
formula_title: <missing>
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b: 11.8288
c: 11.8288
alpha: 90
beta: 90
gamma: 90
cell_volume: 1655.092
crystal_density: 4.437
atoms_sites: ["Mn", "Fe", "Si", "O"]
atoms_x: IKEHAAAAAABg4xYAwD0CAA==
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formula: Na (Al Si2) O6
compound: Nidym River, East Siberia, Russia
formula_title: <missing>
a: 13.7249
b: 13.5270
c: 13.6938
alpha: 90
beta: 90.18
gamma: 90
cell_volume: 2542.334
crystal_density: 2.112
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 The deformation mechanism of a pressure-induced phase transition
 in dehydrated analcime
 Note: dehydrated, P = 0 GPa

atoms_sites:
["Na11", "Na2", "Al11A", "Si11A", "Al11B", "Si11B", "Al12A", "Si12A", "Al12B", "Si12B", "Al2A", "Si2A", "Al2B", "Si2B", "O11A", "O11B", "O12A", "O12B", "O21A", "O21B", "O22A", "O22B", "O31A", "O31B", "O32A", "O32B"]

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formula: Na7.69 (Al8 Si16) O48.56 H1.12
compound: Nidym River, East Siberia, Russia
formula_title: <missing>
a: 18.468
b: 18.468
c: 11.601
alpha: 90
beta: 90
gamma: 120
cell_volume: 3426.619
crystal_density: 2.355
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 The deformation mechanism of a pressure-induced phase transition
 in dehydrated analcime
 Note: dehydrated, P = 0.9 GPa

atoms_sites:
["Na11", "Na2", "Na3", "Na4", "Al1", "Si1", "Al2", "Si2", "Al3", "Si3", "Al4", "Si4", "Al5", "Si5", "Al6", "Si6", "Al7", "Si7", "Al8", "Si8", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "O16", "Wat1"]

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pub_title: High-pressure study of a natural cancrinite Note: P = 6.16 GPa
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compound: Cameroun
pub_title: High-pressure study of a natural cancrinite Note: P = 6.63 GPa
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formula: La3.4 Ca.6 Fe Mn.5 Ti2.5 Al.5 Nb.5 Si4 O22
compound: Dellen pumice quarry, Eifel Mountains, Rhineland-Palatinate, Germany
formula_title: <missing>
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b: 5.6601
c: 11.743
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pub_title:
 Perrierite-(La) (La,Ce,Ca)4Fe2+(Ti,Fe)4(Si2O7)2O8 - a new mineral
 species from volcanic region Eifel, Germany

atoms_sites:
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formula: Cu3 V2 O11 H6
compound: Synthetic
pub_title: Orbital switching in a frustrated magnet T = 150 K
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compound: Verkhnee Espe deposit, Akjailyautas Mountains, Kazakhstan
formula_title: <missing>
a: 5.3868
b: 11.9141
c: 11.7171
alpha: 112.978
beta: 94.641
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formula:
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pub_title:
 Tarbagataite, (K,_)2(Ca,Na)(Fe2+,Mn)7Ti2(Si4O12)2O2(OH)4(OH,F),
 a new astrophyllite-group mineral species from the Verkhnee Espe Deposit,
 Akjailyautas Mountains, Kazakhstan: Description and crystal structure

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formula: Mg Al2 V10 O57 H56
compound: La Sal Mining District, Utah, USA
formula_title: <missing>
a: 16.3357
b: 24.2434
c: 11.7343
alpha: 90
beta: 90
gamma: 90
cell_volume: 4647.169
crystal_density: 2.224
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pub_title:
 Postite, Mg(H2O)6Al2(OH)2(H2O)8(V10O28)*13H2O, a new mineral species from
 the La Sal Mining District, Utah: Crystal structure and descriptive mineralogy

atoms_sites:
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atoms_x:

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formula: Be Fe.885 Mg1.73 Sn.063 Zn.322 Al8 O16
compound: Xianghualing tin-polymetallic ore field, Hunan Province, China
formula_title: <missing>
a: 5.6978
b: 5.6978
c: 18.373
alpha: 90
beta: 90
gamma: 120
cell_volume: 516.565
crystal_density: 3.863
pub_title:
 Ferrotaaffeite-2N'2S, a new mineral species, and the crystal structure of
 Fe2+-rich magnesiotaaffeite-2N'2S from the Xianghualing tin-polymetallic ore
 field, Hunan Province, China

atoms_sites:
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pub_title: The crystal structure and genesis of krennerite, Au3AgTe8
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formula: Ca3 Si S1.82 O25.66 H30
compound: Bellerberg, near Kottenheim, Eastern Eifel area,
formula_title: <missing>
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b: 11.1548
c: 10.5702
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beta: 90
gamma: 120
cell_volume: 1139.036
crystal_density: 1.888
atoms_sites: ["Ca", "Si", "S", "Wat1", "Wat2", "Wat3", "O-H4", "O5", "O6"]
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pub_title:
 Kottenheimite, Ca3Si(OH)6(SO4)2*12H2O, a new member of the ettringite group
 from the Eifel area, Germany
 Rhineland-Palatinate, Germany

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formula: Ag7.998 Sn (S3.897 Te2.103)
compound: Lengenbach Quarry, Binntal, Canton Valais, Switzerland
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pub_title:
 Te-rich canfieldite, Ag8Sn(S,Te)6, from Lengenbach Quarry, Binntal,
 Canton Valais, Switzerland: Occurrence, description and crystal structure

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formula: Mg1.5 S O5 H
compound: Nepa deposit of potassium salts, Eastern Siberia, Russia
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compound: Synthetic
pub_title: Refinement of the alum structures. III. X-ray study of the a alums, K, Rb and NH4Al(SO4)2*12H2O
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formula: Ca3.46 Sr.3 Na2.1 Si8 F2 O20
compound: Sirenevyi Kamen deposit, Murunskii massif, Yakutia, Russia
formula_title: <missing>
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pub_title:
 Crystal structure of Na(Ca,Sr)2Si4O10F strontium agrellite from
 Yakutian charoitites: agrellite polytypes

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formula: Hg2 I O
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pub_title: Structure of mercury(I,II) iodide oxide, Hg2OI
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formula: (Al.5 Nb.5) O2
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pub_title:
 Structural stability, cation ordering, and local
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 Note: Sample label: N00

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formula_title: AlNbO4
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pub_title:
 Structural stability, cation ordering, and local
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 Note: Sample label: N06

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pub_title:
 Structural stability, cation ordering, and local
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 Note: Sample label: N12

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formula: Al.76 Nb O4 Cr.24
compound: Synthetic
formula_title: AlNbO4
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b: 3.7726
c: 6.5033
alpha: 90
beta: 107.70
gamma: 90
cell_volume: 284.872
crystal_density: 4.428
atoms_sites: ["Al1", "Nb1", "Nb2", "O1", "O2", "O3", "O4", "Cr1", "Cr2"]
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pub_title:
 Structural stability, cation ordering, and local
 relaxation along the AlNbO4-Al0.5Cr0.5NbO4 join
 Note: Sample label: N25

qdat:
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formula: Al.76 Nb O4 Cr.24
compound: Synthetic
formula_title: AlNbO4
a: 12.1886
b: 3.7748
c: 6.5033
alpha: 90
beta: 107.72
gamma: 90
cell_volume: 285.018
crystal_density: 4.425
atoms_sites: ["Al1", "Nb1", "Nb2", "O1", "O2", "O3", "O4", "Cr1", "Cr2"]
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pub_title:
 Structural stability, cation ordering, and local
 relaxation along the AlNbO4-Al0.5Cr0.5NbO4 join
 Note: Sample label: N37

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formula: Ge O2
compound: Synthetic
formula_title: GeO2
a: 4.9858
b: 4.9858
c: 5.6473
alpha: 90
beta: 90
gamma: 120
cell_volume: 121.574
crystal_density: 4.286
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pub_title:
 Structure refinement of GeO2 polymorphs at high pressures and
 temperatures by energy-dispersive spectra of powder diffraction
 Note: P = 0.0001 GPa T = 293 K
 Note: quartz structure

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formula: Ge O2
compound: Synthetic
formula_title: GeO2
a: 4.9113
b: 4.9113
c: 5.6099
alpha: 90
beta: 90
gamma: 120
cell_volume: 117.187
crystal_density: 4.447
atoms_sites: ["Ge", "O"]
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pub_title:
 Structure refinement of GeO2 polymorphs at high pressures and
 temperatures by energy-dispersive spectra of powder diffraction
 Note: P = 1.69 GPa T = 293 K
 Note: quartz structure

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formula: Ge O2
compound: Synthetic
formula_title: GeO2
a: 4.8546
b: 4.8546
c: 5.5943
alpha: 90
beta: 90
gamma: 120
cell_volume: 114.178
crystal_density: 4.564
atoms_sites: ["Ge", "O"]
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pub_title:
 Structure refinement of GeO2 polymorphs at high pressures and
 temperatures by energy-dispersive spectra of powder diffraction
 Note: P = 3.55 GPa T = 293 K
 Note: quartz structure

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formula: Ge O2
compound: Synthetic
formula_title: GeO2
a: 4.8310
b: 4.8310
c: 5.5680
alpha: 90
beta: 90
gamma: 120
cell_volume: 112.539
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pub_title:
 Structure refinement of GeO2 polymorphs at high pressures and
 temperatures by energy-dispersive spectra of powder diffraction
 Note: P = 4.58 GPa T = 293 K
 Note: quartz structure

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formula: Ge O2
compound: Synthetic
formula_title: GeO2
a: 4.9097
b: 4.9097
c: 5.6249
alpha: 90
beta: 90
gamma: 120
cell_volume: 117.424
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pub_title:
 Structure refinement of GeO2 polymorphs at high pressures and
 temperatures by energy-dispersive spectra of powder diffraction
 Note: P = 2.9 GPa T = 493 K
 Note: quartz structure

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formula: (Ca.91 Na.09) (Zr.96 Y.03 Ti.01) Si6 O18 H6
compound: granite pegmatites and alkaline granites in Mongolia
pub_title: Powder Rietveld refinement of armstrongite, CaZr[Si6O15]*3H2O
formula_title: <missing>
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c: 7.840
alpha: 90
beta: 109.40
gamma: 90
cell_volume: 1465.044
crystal_density: 2.683
atoms_aniso_label: ["Ca", "Na", "Zr", "Y", "Ti", "Si", "Si(2)", "Si(3)", "Si(4)", "Si(5)", "Si(6)"]
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formula: Pb2 Mn2 Cr O9
compound: Baker, San Bernardino County, California, U.S.A.
formula_title: <missing>
a: 5.0278
b: 7.5865
c: 10.2808
alpha: 91.968
beta: 99.405
gamma: 109.159
cell_volume: 363.813
crystal_density: 6.575
atoms_sites: ["Pb1", "Pb2", "Mn1", "Mn2", "Cr", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9"]
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pub_title:
 Reynoldsite, Pb2Mn4+2O5(CrO4), a new phyllomanganate-chromate from
 the Blue Bell claims, California and the Red Lead mine, Tasmania

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formula: Ag Mn As S3
compound: Uchucchacua polymetallic deposit, Lima Department, Peru
formula_title: <missing>
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b: 5.4496
c: 32.949
alpha: 90
beta: 90
gamma: 90
cell_volume: 978.524
crystal_density: 4.533
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pub_title:
 Manganoquadratite, AgMnAsS3, a new manganese-bearing sulfosalt from the Uchucchacua
 polymetallic deposit, Lima Department, Peru: Description and crystal structure

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formula: Pb4 Cl2 B10 O19 H2
compound: Mina Asuncion, Atacama Desert, Chile
formula_title: <missing>
a: 11.376
b: 11.505
c: 6.5568
alpha: 90
beta: 90
gamma: 90
cell_volume: 858.160
crystal_density: 5.084
atoms_occupancy: 0
atoms_aniso_label: ["Pb1", "Pb2", "Cl1", "Cl2"]
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atoms_aniso_u23: IAMAAFAtAAAAAAAAAAAAAA==
pub_title:
 Leucostaurite, Pb2[B5O9]Cl*0.5H2O, from the Atacama Desert: The first Pb-dominant
 member of the hilgardite group, and micro-determination of boron minerals by PIGE

atoms_sites:
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formula: Li Al Ge2 O6
compound: Synthetic
pub_title: Synthetic LiAlGe2O6: The first pyroxene with P2_1/n symmetry Note: Sample #LA2n_L_tr
formula_title: LiAlGe2O6
a: 9.8986
b: 8.4008
c: 5.4016
alpha: 90
beta: 110.648
gamma: 90
cell_volume: 420.323
crystal_density: 4.348
atoms_sites: ["Li1", "Al3", "Ge1", "Ge2", "O1", "O2", "O3", "O4", "O5", "O6"]
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formula: Li Al Ge2 O6
compound: Synthetic
pub_title: Synthetic LiAlGe2O6: The first pyroxene with P2_1/n symmetry Note: Sample #LAF_L_tr
formula_title: LiAlGe2O6
a: 9.8976
b: 8.3985
c: 5.4020
alpha: 90
beta: 110.640
gamma: 90
cell_volume: 420.219
crystal_density: 4.349
atoms_sites: ["Li1", "Al3", "Ge1", "Ge2", "O1", "O2", "O3", "O4", "O5", "O6"]
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pub_title:
 Minerals in cement chemistry: A single-crystal neutron diffraction and
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pub_title:
 Minerals in cement chemistry: A single-crystal neutron diffraction and
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beta: 90
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pub_title:
 Structure refinements of the mixed crystal K0.78(NH4)0.22H2PO4
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pub_title: Revised structure models for antigorite: An HRTEM study Note: n = 14
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 Crystal structures of six new uranyl selenate and selenite compounds and
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 Crystal structures of six new uranyl selenate and selenite compounds and
 their relationship with uranyl mineral structures
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 Crystal structures of six new uranyl selenate and selenite compounds and
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 Note: Compound 3

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pub_title:
 Crystal structures of six new uranyl selenate and selenite compounds and
 their relationship with uranyl mineral structures
 Note: Compound 4

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pub_title:
 Crystal structures of six new uranyl selenate and selenite compounds and
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 Note: Compound 5

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 Crystal structures of six new uranyl selenate and selenite compounds and
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 Note: Compound 6

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pub_title: Crystal structure of a K analogue of Kentbrooksite
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pub_title:
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 Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K
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 Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K
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 Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K
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 Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K
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 Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K
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 Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K
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 Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K
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 Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K
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 Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K
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 Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K
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 Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K
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 Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K
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 Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K
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 Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K
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 Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K
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 Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K
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 Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K
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 Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K
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 Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K
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 Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K
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 Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K
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 Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K
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pub_title:
 Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K
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 Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K
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 Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K
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 Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K
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 Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K
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 Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K
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 Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K
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 Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K
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compound: Synthetic
formula_title: <missing>
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pub_title:
 A novel crystal polymorph of volborthite, Cu3V2O7(OH)2*2H2O
 Note: this is a polymorph of volborthite

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formula: K Pb2 Cl5
compound: Challacollo silver mine, Iquique, Atacama desert, Chile
formula_title: <missing>
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alpha: 90
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pub_title:
 The new mineral challacolloite, KPb2Cl5, the natural occurrence of a
 technically known laser material

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formula: Si8 (Nb2.2 Ti1.8) K2.98 Na1.22 O31.15 H10.3
compound: Vuoriyarvi, Kola Peninsula
pub_title: K-nenadkevichite, a new representative of the nenadkevichite-labuntsovite series
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formula: Al2 Mg2 Ca.95 Na.11 Fe.9 P4 O26 H18
compound: Crosscut Creek, Yukon, Canada
pub_title: Crystal structure of whiteite-(CaFeMg) from Crosscut Creek, Canada
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formula: Ca C O3
compound: Synthetic
pub_title: Ab-initio-Strukturbestimmung von Vaterit mit automatischer Beugungstomographie
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formula: Ca C O3
compound: <missing>
pub_title: Uber Vaterit und seine Struktur
formula_title: <missing>
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b: 7.15
c: 8.48
alpha: 90
beta: 90
gamma: 90
cell_volume: 250.410
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formula: Ca C O3
compound: Synthetic
formula_title: <missing>
a: 4.1291
b: 7.1581
c: 8.4764
alpha: 90
beta: 90
gamma: 90
cell_volume: 250.533
crystal_density: 2.654
atoms_sites: ["Ca", "C", "O1", "O2"]
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pub_title:
 Microtwinning hypothesis for a more ordered vaterite model
 Note: Meyer (1959) model, not preferred

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formula: Ca C O3
compound: Synthetic
formula_title: <missing>
a: 4.1304
b: 4.1304
c: 8.4749
alpha: 90
beta: 90
gamma: 120
cell_volume: 125.213
crystal_density: 2.655
atoms_sites: ["Ca", "C", "O1", "O2"]
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pub_title:
 Microtwinning hypothesis for a more ordered vaterite model
 Note: Kamhi (1963) model, not preferred

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formula: Fe S Cl (O10 H12)
compound: Xitieshan, Quinghai Province, China
pub_title: The crystal structure of xitieshanite
formula_title: <missing>
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b: 6.9148
c: 14.1193
alpha: 90
beta: 111.407
gamma: 90
cell_volume: 970.558
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formula: Zn6.37 Al14.648 Mg.214 Fe Ti.78 O32 H
compound: Nezilovo, Macedonia
formula_title: <missing>
a: 5.729
b: 5.729
c: 37.097
alpha: 90
beta: 90
gamma: 120
cell_volume: 1054.453
crystal_density: 4.482
atoms_aniso_label: "<missing>"
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pub_title:
 Titanium and iron poor zincohogbomite-16H, Zn14(Al,Fe3+,Ti,Mg)8Al24O62(OH)2,
 from Nezilovo, Macedonia: occurence and crystal structure of a new polysome

atoms_sites:
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atoms_x:

atoms_y:

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formula: Ti1.67 O3
compound: Allende, Chihuahua, Mexico
formula_title: <missing>
a: 9.781
b: 9.778
c: 9.815
alpha: 90
beta: 90
gamma: 90
cell_volume: 938.693
crystal_density: 3.622
atoms_sites: ["Ti1", "Ti2", "Ti3", "Ti4", "O1", "O2", "O3", "O4", "O5", "O6"]
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Panguite, (Ti4+,Sc,Al,Mg,Zr,Ca)1.8O3, a new ultra-refractory titania mineral
 from the Allende meteorite: Synchrotron micro-diffraction and EBSD

qdat:
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formula: Mn V2 O4
compound: Synthetic
pub_title: Magnetisme - Etude par diffraction des neutrons du compose spinelle MnV2O4
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formula: Al O2 H.08
compound: Tveidalen, Langesundsfjorden, Norway
pub_title: Hydrogen atoms in boehmite: A single crystal X-ray diffraction and molecular orbital study
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formula_title: <missing>
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b: 5.694
c: 5.694
alpha: 90
beta: 90
gamma: 90
cell_volume: 184.609
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pub_title:
 X-ray study of the average structures of Cu2Se and Cu1.8S in the
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 Note: Sample: Cu2Se (low), T = 300 K

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beta: 90
gamma: 90
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pub_title:
 X-ray study of the average structures of Cu2Se and Cu1.8S in the
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 Note: Sample: Cu2Se (high) Model 1, T = 433 K

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pub_title:
 X-ray study of the average structures of Cu2Se and Cu1.8S in the
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 Note: Sample: Cu2Se (high) Model 2, T = 433 K

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alpha: 90
beta: 90
gamma: 90
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pub_title:
 X-ray study of the average structures of Cu2Se and Cu1.8S in the
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 Note: Sample: Cu1.8S (low), T = 300 K

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compound: Synthetic
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c: 5.582
alpha: 90
beta: 90
gamma: 90
cell_volume: 173.928
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pub_title:
 X-ray study of the average structures of Cu2Se and Cu1.8S in the
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 Note: Sample: Cu1.8S (high), T = 393 K

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pub_title: Gas hydrate single-crystal structure analyses Sample: C10H16(CH4)5(H2O)34, T = 123 K
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compound: Synthetic
pub_title: Gas hydrate single-crystal structure analyses Sample: (C3H8)8(H2O)136, T = 123 K
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pub_title: Gas hydrate single-crystal structure analyses Sample: (C3H8)8(CH4)14.9(H2O)136, T = 163 K
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compound: Synthetic
pub_title: Gas hydrate single-crystal structure analyses Sample: (CH4)8(H2O)46, T = 123 K
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pub_title: Gas hydrate single-crystal structure analyses Sample: (C2H2)7.2(H2O)46, T = 143 K
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formula: Pb4 Cl6 C O4 H2
compound: a Late-Hellenistic shipwreck found near Mahdia, Tunisia
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pub_title:
 The crystal structure of barstowite, Pb4Cl6(CO3)*H2O, determined on
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formula: Fe6 O27 H17 P4
compound: Campanian age marls of Mullica Hill, New Jersey, USA
pub_title: Beraunite: Refinement, comparative crystal chemistry, and selected bond valences
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c: 19.266
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beta: 93.34
gamma: 90
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compound: Upper Fir carbonatite, Kamloops mining division, British Columbia, Canada
pub_title: Nioboaeschynite-(Ce), Ce(NbTi)O6
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formula: Cr N
compound: north Chile iron meteorite
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pub_title:
 Orientation relationships of carlsbergite in schreibersite and kamacite
 in the north Chile iron meteorite

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pub_title: The structure and Bijvoet ratios of cadmium selenide
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pub_title:
 High-pressure and high-temperature crystal chemistry of beryllium oxide
 Note: Crystal no. 1 in air

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 High-pressure and high-temperature crystal chemistry of beryllium oxide
 Note: Crystal no. 2 in air

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pub_title:
 High-pressure and high-temperature crystal chemistry of beryllium oxide
 Note: Crystal no. 1 in cell

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pub_title:
 High-pressure and high-temperature crystal chemistry of beryllium oxide
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formula: Pb10.15 Sb7.85 S22
compound: Bottino mine, Apuan Alps, Italy
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pub_title:
 The plumose boulangerite from Bottino, Apuan Alps, Italy:
 Crystal structure, OD character and twinning
 Note: MDO1 polytype

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pub_title: Crystal structure of Ca12Al14O32Cl2 and luminescence properties of Ca12Al14O32Cl2:Eu2+
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formula: K2 Ca C2 O6
compound: Synthetic
formula_title: <missing>
a: 5.3822
b: 5.3822
c: 18.156
alpha: 90
beta: 90
gamma: 120
cell_volume: 455.481
crystal_density: 2.606
atoms_sites: ["K", "Ca", "C", "O"]
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pub_title:
 On the aplanarity of the CO3 group in buetschliite, dipotassium calcium
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formula: Ca.66 Al F5
compound: Hekla volcano, Iceland
pub_title: Jakobssonite, CaAlF5, a new mineral from fumaroles at the Eldfell and Hekla volcanoes, Iceland
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formula: Fe As S
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formula_title: <missing>
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b: 5.6841
c: 5.7674
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beta: 111.721
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crystal_density: 6.164
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pub_title:
 Stoichiometric arsenopyrite, FeAsS, from La Roche-Balue Quarry,
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formula: Fe2 As S O18 H19
compound: GroBvoigtsberg, Germany
formula_title: <missing>
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alpha: 115.136
beta: 99.798
gamma: 92.864
cell_volume: 749.581
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atoms_occupancy: 0
pub_title:
 Crystal structure, thermodynamic properties, and paragenesis of bukovskyite,
 Fe2(AsO4)(SO4)(OH)*9H2O

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formula: Pb3.792 Cd.812 Bi6.188 In.208 S13.539 Se.461
compound: Kudriavy Volcano, Iturup Island, Kuriles, Russia
formula_title: <missing>
a: 15.4172
b: 4.0582
c: 20.8071
alpha: 90
beta: 98.031
gamma: 90
cell_volume: 1289.051
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pub_title:
 The crystal structure of (Cd,In)-rich cannizzarite from Kudriavy Volcano,
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formula: Sn12 In19 (Se21.4 S19.6)
compound: Synthetic
pub_title: Structures and classification of indium sulfosalts, and the crystal structure of Sn12In19(Se,S)41
formula_title: Sn12In19(Se,S)41
a: 56.29
b: 3.924
c: 15.916
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gamma: 90
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crystal_density: 5.734
atoms_sites:
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formula: Cu29 S16
compound: Olympic Dam, Roxby Downs, Australia
pub_title: The crystal structure of roxbyite, Cu58S32
formula_title: <missing>
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b: 13.4051
c: 15.4852
alpha: 90.022
beta: 90.021
gamma: 90.020
cell_volume: 2783.448
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formula: Pt2 Hg Se3
compound: <missing>
formula_title: <missing>
a: 7.3477
b: 7.3477
c: 5.2955
alpha: 90
beta: 90
gamma: 90
cell_volume: 285.897
crystal_density: 9.614
atoms_sites: ["Pt1", "Pt2", "Hg", "Se"]
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pub_title:
 Jacutingaite, Pt2HgSe3, a new platinum-group mineral species from
 the Caue iron-ore deposit, Itabira District, Minas Gerais, Brazil
 Localiy: the Caue iron-ore deposit, Itabira District, Minas Gerais, Brazil

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formula: Cu Al (O4 F) H5
compound: Khaidarkan, Kyrgyzstan
pub_title: Possible structural and chemical relationships in the cyanotrichite group
formula_title: <missing>
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b: 2.907
c: 10.369
alpha: 90
beta: 97.90
gamma: 90
cell_volume: 368.610
crystal_density: 3.218
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formula: Cu2 S
compound: Bristol, Connecticut, USA
pub_title: Crystal structure of low chalcocite
formula_title: <missing>
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b: 11.884
c: 13.494
alpha: 90
beta: 116.35
gamma: 90
cell_volume: 2190.865
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atoms_sites:
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formula: Cu62 S31
compound: Ozark Lead Co. mine, Sweetwater, Missouri
pub_title: Djurleite (Cu1.94S) and low chalcocite (Cu2S): New crystal structure studies
formula_title: <missing>
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b: 15.745
c: 13.565
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formula: Cu6 Bi Se6
compound: El Dragon mine, Potosi, Bolivia
formula_title: <missing>
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pub_title:
 Eldragonite, Cu6BiSe4(Se2), a new mineral species from the El Dragon mine,
 Potosi, Bolivia, and its crystal structure

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formula_title: <missing>
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b: 14.1705
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alpha: 90
beta: 90
gamma: 90
cell_volume: 608.796
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pub_title:
 The role of the Sb3+ lone-electron pairs and Fe2+ coordination in
 the high-pressure behavior of berthierite
 Note: P = 0.0001 GPa
 the Baia Mare metallogenic area, Romania

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formula_title: <missing>
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alpha: 90
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pub_title:
 The role of the Sb3+ lone-electron pairs and Fe2+ coordination in
 the high-pressure behavior of berthierite
 Note: P = 1.41 GPa
 the Baia Mare metallogenic area, Romania

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formula_title: <missing>
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pub_title:
 The role of the Sb3+ lone-electron pairs and Fe2+ coordination in
 the high-pressure behavior of berthierite
 Note: P = 2.63 GPa
 the Baia Mare metallogenic area, Romania

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pub_title:
 The role of the Sb3+ lone-electron pairs and Fe2+ coordination in
 the high-pressure behavior of berthierite
 Note: P = 3.72 GPa
 the Baia Mare metallogenic area, Romania

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pub_title:
 The role of the Sb3+ lone-electron pairs and Fe2+ coordination in
 the high-pressure behavior of berthierite
 Note: P = 4.89 GPa
 the Baia Mare metallogenic area, Romania

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formula: Fe Sb2 S4
compound: hydro-thermal vein-type deposit of Herja in
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pub_title:
 The role of the Sb3+ lone-electron pairs and Fe2+ coordination in
 the high-pressure behavior of berthierite
 Note: P = 6.62 GPa
 the Baia Mare metallogenic area, Romania

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formula: Fe Sb2 S4
compound: hydro-thermal vein-type deposit of Herja in
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pub_title:
 The role of the Sb3+ lone-electron pairs and Fe2+ coordination in
 the high-pressure behavior of berthierite
 Note: P = 7.41 GPa
 the Baia Mare metallogenic area, Romania

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formula: Ag.29 Tl1.23 Pb2.956 Sb7.794 As1.73 S18
compound: Monte Arsiccio, near Sant'Anna di Stazzema, Apuan Alps, Tuscany, Italy
formula_title: <missing>
a: 8.0929
b: 8.7610
c: 22.497
alpha: 90.868
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pub_title:
 Lead-antimony sulfosalts from Tuscany (Italy). XII. Boscardinite,
 TlPb4(Sb7As2)S9S18, a new mineral species from the Monte Arsiccio mine:
 Occurrence and crystal structure

atoms_sites:
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formula: Pb As Sb S4
compound: Barika Au-Ag deposit in the Azarbaijan Province, western Iran
pub_title: The crystal structure of guettardite, PbAsSbS4, and the twinnite-guettardite problem
formula_title: <missing>
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b: 7.971
c: 20.102
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beta: 101.814
gamma: 90
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formula: Bi13.19 Pb12.27 Ag.44 Cu4 S34
compound: skarn deposit of Baita Bihor, Romania
pub_title: Cuproneyite, Cu7Pb27Bi25S68, a new mineral species from Baita Bihor, Romania
formula_title: <missing>
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b: 4.0529
c: 43.545
alpha: 90
beta: 108.800
gamma: 90
cell_volume: 6253.689
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atoms_sites:
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formula: Cu4 Ag1.621 Pb2 Bi9.379 S19
compound: the scheelite deposit Felbertal, Salzburg Province, Austria
formula_title: <missing>
a: 13.3801
b: 4.0007
c: 31.083
alpha: 90
beta: 93.064
gamma: 90
cell_volume: 1661.487
crystal_density: 6.822
pub_title:
 Cupromakopavonite, Cu8Ag3Pb4Bi19S38, a new mineral species, its crystal
 structure and the cupropavonite homologous series

atoms_sites:
["Cu1", "Cu2", "Ag", "Pb", "Bi", "Bi1", "Bi2", "Bi3", "Bi4", "Ag4", "Bi5", "Ag5", "S1", "S2", "S3", "S4", "S5", "S6", "S7", "S8", "S9", "S10"]

atoms_x:
YHQDANDQHQAAAAAAaIERAAAAAAAA+RAACPYaAJAACwAQ/hkAEP4ZALCwCACwsAgAkJYVAGCHBAAQEQwAoPEdACBkDQAQjAQAkK8VALC6AwDQsw0AgIQeAA==

atoms_z:
kMYNAOCKKwAAAAAA0HUUAAAAAAAYhQMAKPI1AOgjMAAQ4CMAEOAjAGhyIABociAAAEc7AHA+OADQVAgAQNcLACAmDwAgwysAUJsoAJAEJQCw3xoAgIQeAA==

atoms_occupancy:
AAk9AAAJPQCgMDkAAAk9AGDYAwAACT0AAAk9AAAJPQDgAjEAIAYMAGAvNACg2QgAAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AA==

atoms_u_iso:
8MwBAGDLAQBAEwIAMNMBAEATAgCg1wAA0M8AANAaAQBwQwEAcEMBAKA7AQCgOwEAAPoAAGBnAQCgvgAA4N0AABDWAACgvgAAYAMBAKAJAQBgZwEAgDgBAA==

atoms_aniso_label:
["Cu1", "Cu2", "Ag", "Pb", "Bi", "Bi1", "Bi2", "Bi3", "Bi4", "Ag4", "Bi5", "Ag5", "S1", "S2", "S3", "S4", "S5", "S6", "S7", "S8", "S9", "S10"]

atoms_aniso_u11:
YGcBAMDUAQDA1AEAUCECAMDUAQBw+AAA4PYAALAwAQBggAEAYIABAABFAQAARQEAoAkBAOAoAQBg6gAA4CgBAIC7AADA2gAAoAkBAEAZAQDgKAEAwFcBAA==

atoms_aniso_u22:
IMUBAAD6AACggAIAsBcBAKCAAgBguAAA0LYAACBIAQDAPgEAwD4BALAXAQCwFwEAoAkBAMDaAABg6gAAYOoAAMDaAADgqwAAIMsAAAD6AABg6gAA4CgBAA==

atoms_aniso_u33:
4CICAKCAAgBg5AEAgEsCAGDkAQAQ1gAA4MQAANDPAACgCQEAoAkBAKBUAQCgVAEAYOoAAEATAgBgbQAAQJwAAGDqAACAuwAAgDgBAAD6AACAMgIAgDgBAA==

atoms_aniso_u13:
YHP//8Bj///A4P//AH0AAMDg//9QFAAAYCIAAJDP//+wHQAAsB0AAFD7//9Q+///gD4AAIDB//8AAAAAgD4AAGDw//9g8P//QB8AAGDw//+Awf//AAAAAA==

qdat:
AAAIAACAAAQAAEACRIAQQQACAAIqQoKKsGRUogyEQQEiBQA5CCDAdKj+UcFZF+bpjhoqRKM0RBAtUir2x3+szmihaTEIEENR2ZUYIMEAD3/MyvpMwhBVIiEIIA6SIiEEAAB9W+6cjVIiII1SIiEADykREIAAA39ZfySI2U==


