# cif

formula: Ca B2 O4
compound: <missing>
pub_title: The Crystal Structure of Calcium Metaborate Ca B2 O4 _cod_database_code 1010468
formula_title: B2 Ca O4
a: 6.19
b: 11.60
c: 4.28
alpha: 90
beta: 90
gamma: 90
cell_volume: 307.321
crystal_density: 2.717
atoms_sites: ["Ca1", "B1", "O1", "O2"]
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atoms_y: AAAAACAGDACgbgUAALIMAA==
atoms_z: AB0QAGCyMwBAESwAYDEKAA==
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formula: Pb Br F
compound: <missing>
pub_title: Die Kristallstruktur von Bleifluobromid Pb F Br _cod_database_code 1010469
formula_title: Br F Pb
a: 4.180
b: 4.180
c: 7.59
alpha: 90
beta: 90
gamma: 90
cell_volume: 132.616
crystal_density: 7.666
atoms_sites: ["Pb1", "Br1", "F1"]
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atoms_y: gIQeAICEHgCAhB4A
atoms_z: 4OYLAECsJwAAAAAA
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formula: Hg Br2
compound: <missing>
pub_title: Zur Kristallstruktur des Quecksilberbromids Hg Br2 _cod_database_code 1010470
formula_title: Br2 Hg
a: 4.624
b: 6.789
c: 12.445
alpha: 90
beta: 90
gamma: 90
cell_volume: 390.678
crystal_density: 6.127
atoms_sites: ["Hg1", "Br1", "Br2"]
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atoms_y: IFMUACC5AwDgGxgA
atoms_z: AAAAAMAtCADAVhYA
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formula: Mn P
compound: <missing>
pub_title: Phosphides and Arsenides with modified Nickel-Arsenide Structure _cod_database_code 1010473
formula_title: Mn P
a: 5.905
b: 5.249
c: 3.167
alpha: 90
beta: 90
gamma: 90
cell_volume: 98.162
crystal_density: 5.813
atoms_sites: ["Mn1", "P1"]
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atoms_z: QEIPAEBCDwA=
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formula: Fe2 B
compound: <missing>
pub_title: Roentgenanalyse der Systeme Eisen-Bor, Kobalt-Bor und Nickel-Bor _cod_database_code 1010474
formula_title: B Fe2
a: 5.099
b: 5.099
c: 4.24
alpha: 90
beta: 90
gamma: 90
cell_volume: 110.239
crystal_density: 7.381
atoms_sites: ["Fe1", "B1"]
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atoms_z: QEIPAAAAAAA=
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formula: Co2 B
compound: <missing>
pub_title: Roentgenanalyse der Systeme Eisen-Bor, Kobalt-Bor und Nickel-Bor _cod_database_code 1010475
formula_title: B Co2
a: 5.006
b: 5.006
c: 4.212
alpha: 90
beta: 90
gamma: 90
cell_volume: 105.553
crystal_density: 8.097
atoms_sites: ["Co1", "B1"]
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formula: Ni2 B
compound: <missing>
pub_title: Roentgenanalyse der Systeme Eisen-Bor, Kobalt-Bor und Nickel-Bor _cod_database_code 1010476
formula_title: B Ni2
a: 4.98
b: 4.98
c: 4.236
alpha: 90
beta: 90
gamma: 90
cell_volume: 105.054
crystal_density: 8.105
atoms_sites: ["Ni1", "B1"]
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formula: Co B
compound: <missing>
pub_title: Roentgenanalyse der Systeme Eisen-Bor, Kobalt-Bor und Nickel-Bor _cod_database_code 1010478
formula_title: B Co
a: 3.948
b: 5.243
c: 3.307
alpha: 90
beta: 90
gamma: 90
cell_volume: 68.453
crystal_density: 6.767
atoms_sites: ["Co1", "B1"]
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formula: K S N O3
compound: <missing>
pub_title: The Crystal Structure of Potassium Sulphamate _cod_database_code 1010479
formula_title: H2 K N O3 S
a: 8.32
b: 8.28
c: 5.9
alpha: 90
beta: 90
gamma: 90
cell_volume: 406.449
crystal_density: 2.176
atoms_sites: ["K1", "S1", "N1", "O1", "O2"]
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formula: Fe2 C9 O9
compound: <missing>
pub_title: The crystal structure of iron enneacarbonyl _cod_database_code 1010480
formula_title: Fe2C9O9
a: 6.45
b: 6.45
c: 15.98
alpha: 90
beta: 90
gamma: 120
cell_volume: 575.740
crystal_density: 2.098
atoms_sites: ["Fe", "C1", "O1", "C2", "O2"]
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formula: Cs5 Cl5 Co
compound: <missing>
pub_title: The Structure of Caesium Cobalt Chloride ( Cs3 Co Cl5 ) _cod_database_code 1010481
formula_title: Cl5 Co Cs3
a: 9.18
b: 9.18
c: 14.47
alpha: 90
beta: 90
gamma: 90
cell_volume: 1219.422
crystal_density: 4.906
atoms_sites: ["Cs1", "Cs2", "Cl1", "Cl2", "Co1"]
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formula: S4 C8 N4 Cl Cu
compound: <missing>
pub_title: The Stereochemistry of Quadricovalent Atoms: Copper and Silver _cod_database_code 1010482
formula_title: Cl Cu H20 N4 S4
a: 12.43
b: 12.43
c: 5.52
alpha: 90
beta: 90
gamma: 90
cell_volume: 852.867
crystal_density: 1.477
atoms_sites: ["S1", "C1", "C2", "N1", "Cl1", "Cu1"]
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formula: S4 C8 N4 Cl Ag
compound: <missing>
pub_title: The Stereochemistry of Quadricovalent Atoms: Copper and Silver _cod_database_code 1010483
formula_title: Ag Cl H20 N4 S4
a: 12.59
b: 12.59
c: 5.37
alpha: 90
beta: 90
gamma: 90
cell_volume: 851.189
crystal_density: 1.653
atoms_sites: ["S1", "C1", "C2", "N1", "Cl1", "Ag1"]
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formula: Mg (O2 H2)
compound: <missing>
pub_title: Ueber die Struktur des Magnesiumhydroxides. _cod_database_code 1010484
formula_title: <missing>
a: 3.13
b: 3.13
c: 4.75
alpha: 90
beta: 90
gamma: 120
cell_volume: 40.301
crystal_density: 2.403
atoms_sites: ["Mg", "O-H"]
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atoms_y: AAAAAFVYFAA=
atoms_z: AAAAAOCPDQA=
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formula: Ag2 O
compound: <missing>
pub_title: Die Kristallstruktur einiger Oxyde I. _cod_database_code 1010486
formula_title: Ag2 O
a: 4.718
b: 4.718
c: 4.718
alpha: 90
beta: 90
gamma: 90
cell_volume: 105.020
crystal_density: 7.328
atoms_sites: ["Ag1", "O1"]
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formula: Na F2 H
compound: <missing>
formula_title: F2 H Na
a: 5.17
b: 5.17
c: 5.17
alpha: 39.73
beta: 39.73
gamma: 39.73
cell_volume: 50.841
crystal_density: 2.025
atoms_sites: ["Na1", "F1", "H1"]
atoms_x: AAAAAPBuGQCAhB4A
atoms_y: AAAAAPBuGQCAhB4A
atoms_z: AAAAAPBuGQCAhB4A
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pub_title:
 Ueber feinbauliche Versuche zur Konstitution des Natriumhydrofluorids
 unter Verwendung der Atombereiche und ueber die roentgenographische
 Erforschung dieser Verbindung.
 _cod_database_code 1010487

qdat:
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formula: Na Sb Al2
compound: <missing>
pub_title: Ueber ein neues Mineral von Langban. _cod_database_code 1010488
formula_title: Al2 Na O6 Sb
a: 5.4
b: 5.4
c: 8.81
alpha: 90
beta: 90
gamma: 120
cell_volume: 222.482
crystal_density: 2.966
atoms_sites: ["Na1", "Sb1", "Al1"]
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atoms_y: AAAAAKuwKACrsCgA
atoms_z: AAAAAMDGLQBgTwUA
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qdat:
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formula: C O2
compound: <missing>
pub_title: Das Gitter des festen Kohlendioxyds. _cod_database_code 1010489
formula_title: CO2
a: 5.62
b: 5.62
c: 5.62
alpha: 90
beta: 90
gamma: 90
cell_volume: 177.504
crystal_density: 1.647
atoms_sites: ["C1", "O1"]
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atoms_y: AAAAAGAxCgA=
atoms_z: AAAAAGAxCgA=
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formula: N
compound: <missing>
pub_title: Das Gitter des Ammoniaks. _cod_database_code 1010490
formula_title: H3 N
a: 5.193
b: 5.193
c: 5.193
alpha: 90
beta: 90
gamma: 90
cell_volume: 140.041
crystal_density: 0.664
atoms_sites: ["N1"]
atoms_x: gG0NAA==
atoms_y: gG0NAA==
atoms_z: gG0NAA==
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formula: B
compound: <missing>
pub_title: Ueber die Gitterstruktur des Aethans und des Diborans. _cod_database_code 1010491
formula_title: B2 H6
a: 4.54
b: 4.54
c: 8.69
alpha: 90
beta: 90
gamma: 120
cell_volume: 155.118
crystal_density: 0.231
atoms_sites: ["B1"]
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qdat:
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formula: Ag3 P
compound: <missing>
pub_title: Die Kristallstruktur von Silberphosphat und Silberarsenat (Ag3 XO4). _cod_database_code 1010493
formula_title: Ag3 O4 P
a: 5.996
b: 5.996
c: 5.996
alpha: 90
beta: 90
gamma: 90
cell_volume: 215.568
crystal_density: 5.463
atoms_sites: ["Ag1", "P1"]
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formula: Ag3 As
compound: <missing>
pub_title: Die Kristallstruktur von Silberphosphat und Silberarsenat (Ag3 XO4). _cod_database_code 1010494
formula_title: Ag3 As O4
a: 6.124
b: 6.124
c: 6.124
alpha: 90
beta: 90
gamma: 90
cell_volume: 229.671
crystal_density: 5.763
atoms_sites: ["Ag1", "As1"]
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atoms_y: gIQeAAAAAAA=
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formula: Cl O
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pub_title: Das Gitter des Monohydrats des Li Cl (Li Cl+H2 O). _cod_database_code 1010495
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formula: (Mg1.8 Fe.2) Si O4
compound: <missing>
pub_title: Die Struktur des Olivins. _cod_database_code 1010497
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formula: Hg
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formula_title: Hg N2
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beta: 90
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pub_title:
 Roentgenographische Untersuchung des tetragonal kristallisierenden
 Quecksilberzyanids.
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formula: Ca C2
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pub_title: Die Kristallstruktur des Calciumcarbides. _cod_database_code 1010500
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formula: Sn I4
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pub_title: Die Symmetrie und der Elementarbereich von Zinntetrajodid. _cod_database_code 1010501
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formula: Ca C N2
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formula_title: Ca N2
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beta: 43.83
gamma: 43.83
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pub_title:
 Ueber die Rumgruppe von (C N2 H2)2 und die Kristallstruktur von
 Ca C N2.
 _cod_database_code 1010503

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formula: Cu3 Sb S3
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formula_title: Cu3 S3 Sb
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pub_title:
 Praezisionsmessungwn der Gitterkonstanten verschiedener Fahlerze.
 Formel und Struktur derselben.
 _cod_database_code 1010508

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formula: K2 Pt Cl6
compound: <missing>
pub_title: The Crystal Structure of Potassium Chloroplatinate. _cod_database_code 1010509
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formula: Nb N.5
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pub_title: Zur Frage der niederen Oxyde von Niob und ueber ein Niob-Subnitrid. _cod_database_code 1010510
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formula: Na Br O3
compound: <missing>
pub_title: Die Lage der Atome in den optisch aktiven Kristallen NaClO3 und NaBrO3 _cod_database_code 1010511
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formula: Na Cl O3
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pub_title: Die Lage der Atome in den optisch aktiven Kristallen NaClO3 und NaBrO3 _cod_database_code 1010512
formula_title: NaClO3
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formula: Al N
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pub_title: Das Gitter des Aluminiumnitrids (Al N) _cod_database_code 1010514
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formula: Zr F7 N3
compound: <missing>
formula_title: F7 H12 N3 Zr
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b: 9.35
c: 9.35
alpha: 90
beta: 90
gamma: 90
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pub_title:
 Ueber die Struktur der isomorphen Verbindungen (N H4)3 Zr F7 und
 (N H4)3 Hf F7.
 _cod_database_code 1010515

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formula: N O2
compound: <missing>
pub_title: Die Struktur von festem N2 O4 bei der Temperatur von fluessiger Luft. _cod_database_code 1010516
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formula: Tl7 Cl42 K21 O14
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pub_title: The Structure of Potassium Hexachlorothalliate Dihydrate _cod_database_code 1010517
formula_title: Cl6 H4 K3 O2 Tl
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formula: Tl7 Br42 Rb21 O8
compound: <missing>
pub_title: The Structure of Potassium Hexachlorothalliate Dihydrate _cod_database_code 1010518
formula_title: Br6 H2.286 O1.143 Rb3 Tl
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formula: Po
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pub_title: The Crystal Structure of Polonium by Electron Diffraction _cod_database_code 1010519
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formula: Ge S2
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pub_title: The Crystal Structure of Germanium Disulphide _cod_database_code 1010520
formula_title: Ge S2
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formula: K B O2
compound: <missing>
pub_title: The Crystal Structure of Potassium Metaborate K3 (B3 O6) _cod_database_code 1010521
formula_title: B3 K3 O6
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b: 7.76
c: 7.76
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formula: S Na2 O4
compound: <missing>
pub_title: The Crystal Structure of Sodium Sulfate III _cod_database_code 1010522
formula_title: Na2 O4 S
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formula: Na2 S O3
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pub_title: The Crystal Lattice of Anhydrous Sodium Sulphite, Na2 S O3 _cod_database_code 1010523
formula_title: Na2 O3 S
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formula: K2 S2 O5
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formula_title: K2 O5 S2
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c: 7.55
alpha: 90
beta: 102.68
gamma: 90
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pub_title:
 The Crystal Lattice of Potassium Pyrosulphite,K2 S2 O5 and the
 Structure of the Pyrosulphite Group
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formula: Na N O2
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pub_title: The Crystal Structure of Sodium Nitrite, Na N O2 _cod_database_code 1010525
formula_title: N Na O2
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formula: Be O
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pub_title: Ueber die Kristallstruktur von BeO _cod_database_code 1010526
formula_title: <missing>
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formula: Cu S O9
compound: <missing>
pub_title: The crystal structure of copper sulfate pentahydrate CuSO4(H2O)5 _cod_database_code 1010527
formula_title: <missing>
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formula: Cd3 S3 O20
compound: <missing>
pub_title: The Crystal Structure of (CdSO4)3(H2O)8 _cod_database_code 1010534
formula_title: (CdSO4)3(H2O)8
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formula: Zn Te
compound: <missing>
pub_title: Die Kristallstruktur der Telluride von Zink, Cadmium und Quecksilber _cod_database_code 1010535
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formula: Cd Te
compound: <missing>
pub_title: Die Kristallstruktur der Telluride von Zink, Cadmium und Quecksilber _cod_database_code 1010536
formula_title: Cd Te
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formula: Hg Te
compound: <missing>
pub_title: Die Kristallstruktur der Telluride von Zink, Cadmium und Quecksilber _cod_database_code 1010537
formula_title: <missing>
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formula: Zn Te
compound: <missing>
pub_title: Die Kristallstruktur der Telluride von Zink, Cadmium und Quecksilber _cod_database_code 1010538
formula_title: Te Zn
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formula: Cd Te
compound: <missing>
pub_title: Die Kristallstruktur der Telluride von Zink, Cadmium und Quecksilber _cod_database_code 1010539
formula_title: Cd Te
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b: 6.41
c: 6.41
alpha: 90
beta: 90
gamma: 90
cell_volume: 263.375
crystal_density: 6.053
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formula: Br N
compound: <missing>
formula_title: Br H4 N
a: 6.007
b: 6.007
c: 4.035
alpha: 90
beta: 90
gamma: 90
cell_volume: 145.599
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pub_title:
 Crystal Structure of the Low Temperature Modification of Ammonium Bromide
 _cod_database_code 1010540

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formula: Al2 Be3 Si12 O24
compound: <missing>
pub_title: The structure of beryl, Be3Al2Si6O18 _cod_database_code 1010541
formula_title: <missing>
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formula: Ba S
compound: <missing>
pub_title: The Crystal Structures of Barytes, Celestine and Anglesite _cod_database_code 1010542
formula_title: <missing>
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c: 7.13
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beta: 90
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formula: Sr S
compound: <missing>
pub_title: The Crystal Structures of Barytes, Celestine and Anglesite _cod_database_code 1010543
formula_title: <missing>
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b: 5.36
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formula: Sr H2
compound: <missing>
pub_title: Konstitution der Erdalkalihydride _cod_database_code 1010560
formula_title: H2 Sr
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c: 3.875
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beta: 90
gamma: 90
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formula: K Sb O3
compound: <missing>
pub_title: X-Ray Studies on Potassium Antimonates _cod_database_code 1010566
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b: 6.814
c: 6.814
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beta: 46.33
gamma: 46.33
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formula: Cd Cl3 Rb
compound: <missing>
pub_title: Die Krystallstruktur von NH4CdCl3 und RbCdCl3 _cod_database_code 1010567
formula_title: Cd Cl3 Rb
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c: 4.01
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formula_title: Cl K O4
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b: 7.47
c: 7.47
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beta: 90
gamma: 90
cell_volume: 416.833
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pub_title:
 Roentgenographische Strukturerforschung der kubischen Modifikation
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formula: N Cl O4
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formula_title: Cl H4 N O4
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b: 7.63
c: 7.63
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beta: 90
gamma: 90
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pub_title:
 Roentgenographische Strukturerforschung der kubischen Modifikation
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pub_title:
 Untersuchungen ueber die Kristallstruktur von Sesquioxyden und
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pub_title:
 Untersuchungen ueber die Kristallstruktur von Sesquioxyden und
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pub_title:
 Untersuchungen ueber die Kristallstruktur von Sesquioxyden und
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pub_title: The Atomic Arrangement in Crystals of the Alkali Platini-Thiocyanates _cod_database_code 1010598
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pub_title: The Atomic Arrangement in Crystals of the Alkali Platini-thiocyanates _cod_database_code 1010599
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formula: Pt Rb2 S6
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pub_title: The Atomic Arrangement in Crystals of the Alkali Platini-Thiocyanates _cod_database_code 1010600
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formula: N Cl
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pub_title: The Crystal Structure of Hydrazine Dihydrochloride _cod_database_code 1010601
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pub_title: An X-ray examination of the structure of boron nitride _cod_database_code 1010602
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formula: Co I3 N6
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pub_title: The crystal structure of Hexamine-cobalti-iodide (Co (N H3)6) I3 _cod_database_code 1010603
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formula: O Ag2
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pub_title: The Crystal Structure of Silver Oxide (Ag2 O) _cod_database_code 1010604
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formula: Ag3 P
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pub_title: Crystal structure of silver phosphate and silver arsenate (Ag3 X O4) _cod_database_code 1010605
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formula: Ag3 As
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pub_title: Crystal structure of silver phosphate and silver arsenate (Ag3 X O4) _cod_database_code 1010606
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formula: Pb N2 Cl6
compound: <missing>
pub_title: The crystal structure of ammonium hexachloroplumbate ((N H4)2 PbCl6) _cod_database_code 1010608
formula_title: Cl6 H8 N2 Pb
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formula: O4 Cl K
compound: <missing>
pub_title: Die Struktur von Kalium- und Ammoniumperchlorat _cod_database_code 1010611
formula_title: Cl K O4
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formula: O4 Cl N
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pub_title: Die Struktur von Kalium- und Ammoniumperchlorat _cod_database_code 1010612
formula_title: Cl H4 N O4
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b: 5.815
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alpha: 90
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formula: O3 K S
compound: <missing>
formula_title: K2 O6 S2
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b: 9.82
c: 6.36
alpha: 90
beta: 90
gamma: 120
cell_volume: 531.142
crystal_density: 2.235
atoms_sites: ["O1", "O2", "O3", "K1", "K2", "S1", "S2", "S3"]
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pub_title:
 The structure of potassium dithionate K2 S2 O6 and the
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formula: S Be O8
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pub_title: Die Struktur des Berylliumsulfat-Tetrahydrates Be S O4 (H2 O)4 _cod_database_code 1010614
formula_title: Be H8 O8 S
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formula: Hg Br2
compound: <missing>
pub_title: Die Kristallstruktur des Quecksilberbromides _cod_database_code 1010615
formula_title: Br2 Hg
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b: 6.85
c: 12.45
alpha: 90
beta: 90
gamma: 90
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formula: N F2
compound: <missing>
pub_title: The crystal structure of ammonium hydrogen fluoride N H4 H F2 _cod_database_code 1010616
formula_title: F2 H5 N
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b: 8.14
c: 3.68
alpha: 90
beta: 90
gamma: 90
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formula: Zn Sb2
compound: <missing>
pub_title: The crystal structure of zinc meta-antimonate Zn (Sb O3)2 _cod_database_code 1010617
formula_title: O6 Sb2 Zn
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b: 6.585
c: 6.585
alpha: 90
beta: 90
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formula: W O3
compound: <missing>
pub_title: Die Kristallstrukturen der Trioxide von Chrom, Molybdaen und Wolfram _cod_database_code 1010618
formula_title: O3 W
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b: 7.48
c: 3.82
alpha: 90
beta: 90
gamma: 90
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formula: Pb Br2
compound: <missing>
pub_title: Die Kristallstruktur von Bleibromid Pb Br2 _cod_database_code 1010619
formula_title: Br2 Pb
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b: 8.02
c: 9.48
alpha: 90
beta: 90
gamma: 90
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crystal_density: 13.615
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formula: Hg Cl2
compound: <missing>
pub_title: Die Kristallstruktur von Bleibromid Pb Br2 _cod_database_code 1010620
formula_title: Cl2 Hg
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b: 12.735
c: 4.423
alpha: 90
beta: 90
gamma: 90
cell_volume: 335.877
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formula: N Cl
compound: <missing>
pub_title: Ricerche cristallografiche sui sali dell acido cloroso _cod_database_code 1010621
formula_title: Cl H4 N O2
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b: 6.3
c: 6.3
alpha: 90
beta: 90
gamma: 90
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formula: Bi I3
compound: <missing>
pub_title: Die Kristallstruktur der Trijodide von Arsen, Antimon und Wismut _cod_database_code 1010622
formula_title: Bi I3
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b: 7.498
c: 20.676
alpha: 90
beta: 90
gamma: 120
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formula: Mo O4 Ag2
compound: <missing>
pub_title: The crystal structure of silver molybdate _cod_database_code 1010623
formula_title: Ag2 Mo O4
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b: 9.26
c: 9.26
alpha: 90
beta: 90
gamma: 90
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crystal_density: 6.285
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formula: Na I
compound: <missing>
pub_title: The crystal structure of sodium periodate _cod_database_code 1010624
formula_title: I Na O4
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b: 5.322
c: 11.93
alpha: 90
beta: 90
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formula: K N C S
compound: <missing>
pub_title: The crystal structure of potassium thiocyanate _cod_database_code 1010625
formula_title: K N S
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b: 7.58
c: 6.635
alpha: 90
beta: 90
gamma: 90
cell_volume: 334.953
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formula: Ni N8 O6
compound: <missing>
pub_title: The composition and crystal structure of nickel nitrate hexammoniate _cod_database_code 1010626
formula_title: H18 N8 Ni O6
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b: 10.96
c: 10.96
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formula: K2 Se Br6
compound: <missing>
pub_title: The crystal structure of potassium bromoselenite _cod_database_code 1010627
formula_title: Br6 K2 Se
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b: 10.363
c: 10.363
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beta: 90
gamma: 90
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formula: Ag2 S O4 N4
compound: <missing>
pub_title: The crystal structure of silver sulfate tetrammoniate _cod_database_code 1010628
formula_title: Ag2 H12 N4 O4 S
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b: 8.43
c: 6.35
alpha: 90
beta: 90
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formula: Os O2 K2 Cl4
compound: <missing>
pub_title: The crystal structure of potassium osmyl chloride K2 Os O2 Cl4 _cod_database_code 1010629
formula_title: Cl4 K2 O2 Os
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b: 6.99
c: 8.75
alpha: 90
beta: 90
gamma: 90
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formula: Si4 Cu15
compound: <missing>
pub_title: The crystal structure of a complex copper-silicon compound _cod_database_code 1010631
formula_title: Cu15 Si4
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b: 9.694
c: 9.694
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beta: 90
gamma: 90
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formula: N Cl I Br
compound: <missing>
pub_title: The crystal structure of Ammonium chlorobromoiodide _cod_database_code 1010632
formula_title: Br Cl H4 I N
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b: 8.58
c: 10.03
alpha: 90
beta: 90
gamma: 90
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crystal_density: 3.221
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formula: P O69 W12
compound: <missing>
pub_title: The crystal structure of (H3 P W12 O40) (H2 O)29 _cod_database_code 1010633
formula_title: H61 O69 P W12
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b: 23.28
c: 23.28
alpha: 90
beta: 90
gamma: 90
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crystal_density: 3.518
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formula: V Cu3 S4
compound: <missing>
pub_title: The crystal structure of CuVS4 _cod_database_code 1010634
formula_title: <missing>
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b: 5.379
c: 5.379
alpha: 90
beta: 90
gamma: 90
cell_volume: 155.634
crystal_density: 3.946
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formula: Al5 C3 N
compound: <missing>
formula_title: Al5 N
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b: 3.28
c: 21.55
alpha: 90
beta: 90
gamma: 120
cell_volume: 200.782
crystal_density: 3.059
atoms_sites: ["Al1", "Al2", "Al3", "Al4", "Al5", "C1", "C2", "C3", "N1"]
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pub_title:
 Untersuchungen am Aluminiumcarbid Al4C3 und Aluminiumcarbonitrid Al5C3N
 _cod_database_code 1010635

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formula: Pt K2 Cl6
compound: <missing>
pub_title: Raumgitter von Komplexsalzen _cod_database_code 1010636
formula_title: Cl6 K2 Pt
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b: 9.64
c: 9.64
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 Ueber die Strukturen des Uransubsulfids und der Subphosphide des
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pub_title: The Structure and Formula of 12-Phosphotungstic Acid _cod_database_code 1010873
formula_title: H3 O40 P W12
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b: 12.141
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formula: S Li2
compound: <missing>
formula_title: Li2 S
a: 5.708
b: 5.708
c: 5.708
alpha: 90
beta: 90
gamma: 90
cell_volume: 185.974
crystal_density: 1.641
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pub_title:
 Gitterstruktur der Oxide, Sulfide, Selenide und Telluride des Lithiums,
 Natriums und Kaliums
 _cod_database_code 1010874

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formula: Te Li2
compound: <missing>
formula_title: Li2 Te
a: 6.504
b: 6.504
c: 6.504
alpha: 90
beta: 90
gamma: 90
cell_volume: 275.132
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pub_title:
 Gitterstruktur der Oxide, Sulfide, Selenide und Telluride des Lithiums,
 Natriums und Kaliums
 _cod_database_code 1010875

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formula: O Na2
compound: <missing>
formula_title: Na2 O
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pub_title:
 Gitterstruktur der Oxide, Sulfide, Selenide und Telluride des Lithiums,
 Natriums und Kaliums
 _cod_database_code 1010876

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formula: Te Na2
compound: <missing>
formula_title: Na2 Te
a: 7.314
b: 7.314
c: 7.314
alpha: 90
beta: 90
gamma: 90
cell_volume: 391.259
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pub_title:
 Gitterstruktur der Oxide, Sulfide, Selenide und Telluride des Lithiums,
 Natriums und Kaliums
 _cod_database_code 1010877

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formula: O K2
compound: <missing>
formula_title: K2 O
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gamma: 90
cell_volume: 266.593
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pub_title:
 Gitterstruktur der Oxide, Sulfide, Selenide und Telluride des Lithiums,
 Natriums und Kaliums
 _cod_database_code 1010878

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formula: O2 B H
compound: <missing>
pub_title: The structure of orthorhombic metaboric acid, HBO2 (alpha) _cod_database_code 1010879
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formula: Ca Se
compound: <missing>
pub_title: Die Gitterkonstanten von Ca O, Ca S, Ca Se, Ca Te. _cod_database_code 1010880
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formula: Fe Cr2 S4
compound: Synthetic
formula_title: <missing>
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b: 9.9763
c: 9.9763
alpha: 90
beta: 90
gamma: 90
cell_volume: 992.907
crystal_density: 3.855
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pub_title:
 Experimental and theoretical charge density distribution of the colossal
 magnetoresistive transition metal sulfide FeCr2S4
 T = 23 K

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formula: Na.235 O18.646 Mn.02 Li.06 Fe.3 Mg1.66 Be.16 Al3.8 Si5 H1.292
compound: Murzinka pegmatite field, MIddle Ural Mountains, Russia
pub_title: Na-Li-Be-rich cordierite from the Murzinka pegmatite field, Middle Urals, Russia
formula_title: <missing>
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formula: K Ca Si4 O13 H7
compound: Mount Rasvumchorr, Khibiny alkaline intrusion, Kola Peninsula, Russia
formula_title: <missing>
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b: 6.9969
c: 26.714
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pub_title:
 Crystal structures of shlykovite and cryptophyllite: comparative crystal
 chemistry of phyllosilicate minerals of the mountainite family

atoms_sites:
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formula: K2 Ca Si4 O15 H10
compound: Mount Rasvumchorr, Khibiny alkaline intrusion, Kola Peninsula, Russia
formula_title: <missing>
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b: 6.9919
c: 32.087
alpha: 90
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pub_title:
 Crystal structures of shlykovite and cryptophyllite: comparative crystal
 chemistry of phyllosilicate minerals of the mountainite family

atoms_sites:
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formula: Pb2 Te O5
compound: Otto Mountain, Baker, California, USA
formula_title: <missing>
a: 7.5353
b: 5.7142
c: 10.8981
alpha: 90
beta: 91.330
gamma: 90
cell_volume: 469.126
crystal_density: 8.807
atoms_sites: ["Pb", "Te", "O1", "O2", "O3"]
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pub_title:
 Lead-tellurium oxysalts from Otto Mountain near Baker, California:
 I. Ottoite, Pb2TeO5, a new mineral with chains of tellurate octahedra

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formula: Pb6 Cu Te4 O20 H2
compound: Otto Mountain, Baker, California, USA
formula_title: <missing>
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b: 10.4836
c: 11.0426
alpha: 90
beta: 95.547
gamma: 90
cell_volume: 905.108
crystal_density: 7.849
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pub_title:
 Lead-tellurium oxysalts from Otto Mountain near Baker, California:
 II. Housleyite, Pb6CuTe4O18(OH)2, a new mineral with Cu-Te octahedral sheets

atoms_sites:
["Pb1", "Pb2", "Pb3", "Cu", "Te1", "Te2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O-h", "H"]

atoms_aniso_label:
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qdat:
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formula: Al.68 Si.32 O2 H.68
compound: Synthetic
pub_title: Crystal structure of a new high-pressure polymorph of topaz-OH P = 14 GPa, T = 1400 C
formula_title: <missing>
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formula: Fe C O3
compound: Invigtut, Greenland
formula_title: <missing>
a: 4.694
b: 4.694
c: 15.43
alpha: 90
beta: 90
gamma: 120
cell_volume: 294.430
crystal_density: 3.920
atoms_sites: ["Fe", "C", "O"]
atoms_x: AAAAAAAAAAAQwRAA
atoms_y: AAAAAAAAAAAAAAAA
atoms_z: AAAAAEBCDwBAQg8A
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition
 Note: run P0, P = 0.02 GPa

qdat:
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formula: Fe C O3
compound: Invigtut, Greenland
formula_title: <missing>
a: 4.676
b: 4.676
c: 15.310
alpha: 90
beta: 90
gamma: 120
cell_volume: 289.904
crystal_density: 3.982
atoms_sites: ["Fe", "C", "O"]
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pub_title:
 Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition
 Note: run P1, P = 1.89 GPa

qdat:
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formula: Fe C O3
compound: Invigtut, Greenland
formula_title: <missing>
a: 4.664
b: 4.664
c: 15.168
alpha: 90
beta: 90
gamma: 120
cell_volume: 285.743
crystal_density: 4.040
atoms_sites: ["Fe", "C", "O"]
atoms_x: AAAAAAAAAACgqRAA
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pub_title:
 Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition
 Note: run P2, P = 3.48 GPa

qdat:
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formula: Fe C O3
compound: Invigtut, Greenland
formula_title: <missing>
a: 4.650
b: 4.650
c: 15.12
alpha: 90
beta: 90
gamma: 120
cell_volume: 283.132
crystal_density: 4.077
atoms_sites: ["Fe", "C", "O"]
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pub_title:
 Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition
 Note: run P3, P = 4.89 GPa

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formula: Fe C O3
compound: Invigtut, Greenland
formula_title: <missing>
a: 4.637
b: 4.637
c: 14.98
alpha: 90
beta: 90
gamma: 120
cell_volume: 278.944
crystal_density: 4.138
atoms_sites: ["Fe", "C", "O"]
atoms_x: AAAAAAAAAADA9xAA
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pub_title:
 Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition
 Note: run P4, P = 7.31 GPa

qdat:
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formula: Fe C O3
compound: Invigtut, Greenland
formula_title: <missing>
a: 4.607
b: 4.607
c: 14.415
alpha: 90
beta: 90
gamma: 120
cell_volume: 264.961
crystal_density: 4.357
atoms_sites: ["Fe", "C", "O"]
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pub_title:
 Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition
 Note: run P5, P = 14.4 GPa

qdat:
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formula: Fe C O3
compound: Invigtut, Greenland
formula_title: <missing>
a: 4.587
b: 4.587
c: 14.258
alpha: 90
beta: 90
gamma: 120
cell_volume: 259.805
crystal_density: 4.443
atoms_sites: ["Fe", "C", "O"]
atoms_x: AAAAAAAAAAAw9hAA
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition
 Note: run P6, P = 18.37 GPa

qdat:
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formula: Fe C O3
compound: Invigtut, Greenland
formula_title: <missing>
a: 4.575
b: 4.575
c: 14.29
alpha: 90
beta: 90
gamma: 120
cell_volume: 259.027
crystal_density: 4.456
atoms_sites: ["Fe", "C", "O"]
atoms_x: AAAAAAAAAAAQ8xAA
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pub_title:
 Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition
 Note: run P7, P = 18.82 GPa

qdat:
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formula: Fe C O3
compound: Invigtut, Greenland
formula_title: <missing>
a: 4.579
b: 4.579
c: 14.28
alpha: 90
beta: 90
gamma: 120
cell_volume: 259.299
crystal_density: 4.452
atoms_sites: ["Fe", "C", "O"]
atoms_x: AAAAAAAAAAAw9hAA
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pub_title:
 Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition
 Note: run P8, P = 19.19 GPa

qdat:
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formula: Fe C O3
compound: Invigtut, Greenland
formula_title: <missing>
a: 4.548
b: 4.548
c: 13.89
alpha: 90
beta: 90
gamma: 120
cell_volume: 248.813
crystal_density: 4.639
atoms_sites: ["Fe", "C", "O"]
atoms_x: AAAAAAAAAACwAhEA
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition
 Note: run P9, P = 28.62 GPa

qdat:
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formula: Fe C O3
compound: Invigtut, Greenland
formula_title: <missing>
a: 4.539
b: 4.539
c: 13.80
alpha: 90
beta: 90
gamma: 120
cell_volume: 246.224
crystal_density: 4.688
atoms_sites: ["Fe", "C", "O"]
atoms_x: AAAAAAAAAAAwDxEA
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition
 Note: run P10, P = 30.6 GPa

qdat:
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formula: Fe C O3
compound: Invigtut, Greenland
formula_title: <missing>
a: 4.527
b: 4.527
c: 13.57
alpha: 90
beta: 90
gamma: 120
cell_volume: 240.842
crystal_density: 4.793
atoms_sites: ["Fe", "C", "O"]
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atoms_aniso_u23: 0
pub_title:
 Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition
 Note: run P11, P = 36.3 GPa

qdat:
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formula: Fe C O3
compound: Invigtut, Greenland
formula_title: <missing>
a: 4.519
b: 4.519
c: 13.47
alpha: 90
beta: 90
gamma: 120
cell_volume: 238.223
crystal_density: 4.845
atoms_sites: ["Fe", "C", "O"]
atoms_x: AAAAAAAAAAAw9hAA
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition
 Note: run P12, P = 38.5 GPa

qdat:
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formula: Fe C O3
compound: Invigtut, Greenland
formula_title: <missing>
a: 4.523
b: 4.523
c: 13.40
alpha: 90
beta: 90
gamma: 120
cell_volume: 237.404
crystal_density: 4.862
atoms_sites: ["Fe", "C", "O"]
atoms_x: AAAAAAAAAAAAFxEA
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atoms_z: AAAAAEBCDwBAQg8A
atoms_occupancy: 0
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atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition
 Note: run P13-1, P = 39.05 GPa

qdat:
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formula: Fe C O3
compound: Invigtut, Greenland
formula_title: <missing>
a: 4.518
b: 4.518
c: 13.457
alpha: 90
beta: 90
gamma: 120
cell_volume: 237.887
crystal_density: 4.852
atoms_sites: ["Fe", "C", "O"]
atoms_x: AAAAAAAAAADA9xAA
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atoms_z: AAAAAEBCDwBAQg8A
atoms_occupancy: 0
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition
 Note: run P13-2, P = 39.0 GPa

qdat:
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formula: Fe C O3
compound: Invigtut, Greenland
formula_title: <missing>
a: 4.514
b: 4.514
c: 13.34
alpha: 90
beta: 90
gamma: 120
cell_volume: 235.402
crystal_density: 4.904
atoms_sites: ["Fe", "C", "O"]
atoms_x: AAAAAAAAAADA9xAA
atoms_y: AAAAAAAAAAAAAAAA
atoms_z: AAAAAEBCDwBAQg8A
atoms_occupancy: 0
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atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition
 Note: run P14, P = 41.2 GPa

qdat:
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formula: Fe C O3
compound: Invigtut, Greenland
formula_title: <missing>
a: 4.502
b: 4.502
c: 13.23
alpha: 90
beta: 90
gamma: 120
cell_volume: 232.221
crystal_density: 4.971
atoms_sites: ["Fe", "C", "O"]
atoms_x: AAAAAAAAAABABBEA
atoms_y: AAAAAAAAAAAAAAAA
atoms_z: AAAAAEBCDwBAQg8A
atoms_occupancy: 0
atoms_u_iso: MI4AACBOAACAuwAA
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:
 Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition
 Note: run P15, P = 43.9 GPa

qdat:
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formula: Fe C O3
compound: Invigtut, Greenland
formula_title: <missing>
a: 4.500
b: 4.500
c: 13.25
alpha: 90
beta: 90
gamma: 120
cell_volume: 232.365
crystal_density: 4.968
atoms_sites: ["Fe", "C", "O"]
atoms_x: AAAAAAAAAAAAFxEA
atoms_y: AAAAAAAAAAAAAAAA
atoms_z: AAAAAEBCDwBAQg8A
atoms_occupancy: 0
atoms_u_iso: YG0AACBOAAAgTgAA
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:
 Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition
 Note: run P16, P = 44.14 GPa

qdat:
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formula: Fe C O3
compound: Invigtut, Greenland
formula_title: <missing>
a: 4.485
b: 4.485
c: 13.19
alpha: 90
beta: 90
gamma: 120
cell_volume: 229.774
crystal_density: 5.024
atoms_sites: ["Fe", "C", "O"]
atoms_x: AAAAAAAAAAAwKBEA
atoms_y: AAAAAAAAAAAAAAAA
atoms_z: AAAAAEBCDwBAQg8A
atoms_occupancy: 0
atoms_u_iso: sLMAACBOAACgjAAA
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:
 Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition
 Note: run P18_HS, P = 45.13 GPa

qdat:
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formula: Fe C O3
compound: Invigtut, Greenland
formula_title: <missing>
a: 4.367
b: 4.367
c: 12.78
alpha: 90
beta: 90
gamma: 120
cell_volume: 211.071
crystal_density: 5.469
atoms_sites: ["Fe", "C", "O"]
atoms_x: AAAAAAAAAABAmhEA
atoms_y: AAAAAAAAAAAAAAAA
atoms_z: AAAAAEBCDwBAQg8A
atoms_occupancy: 0
atoms_u_iso: MFwAACBOAACgWgAA
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:
 Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition
 Note: run P19, P = 46.4 GPa

qdat:
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formula: Fe C O3
compound: Invigtut, Greenland
formula_title: <missing>
a: 4.372
b: 4.372
c: 12.72
alpha: 90
beta: 90
gamma: 120
cell_volume: 210.561
crystal_density: 5.482
atoms_sites: ["Fe", "C", "O"]
atoms_x: AAAAAAAAAADAphEA
atoms_y: AAAAAAAAAAAAAAAA
atoms_z: AAAAAEBCDwBAQg8A
atoms_occupancy: 0
atoms_u_iso: oHMAACBOAAAAfQAA
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:
 Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition
 Note: run P20-1, P = 46.92 GPa

qdat:
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formula: Fe C O3
compound: Invigtut, Greenland
formula_title: <missing>
a: 4.368
b: 4.368
c: 12.75
alpha: 90
beta: 90
gamma: 120
cell_volume: 210.672
crystal_density: 5.479
atoms_sites: ["Fe", "C", "O"]
atoms_x: AAAAAAAAAAAwjBEA
atoms_y: AAAAAAAAAAAAAAAA
atoms_z: AAAAAEBCDwBAQg8A
atoms_occupancy: 0
atoms_u_iso: EEAAACBOAACwTwAA
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:
 Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition
 Note: run P20-2, P = 47.2 GPa

qdat:
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formula: Fe C O3
compound: Invigtut, Greenland
formula_title: <missing>
a: 4.367
b: 4.367
c: 12.74
alpha: 90
beta: 90
gamma: 120
cell_volume: 210.410
crystal_density: 5.486
atoms_sites: ["Fe", "C", "O"]
atoms_x: AAAAAAAAAADQmxEA
atoms_y: AAAAAAAAAAAAAAAA
atoms_z: AAAAAEBCDwBAQg8A
atoms_occupancy: 0
atoms_u_iso: 0FIAACBOAACgWgAA
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:
 Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition
 Note: run P21, P = 47.49 GPa

qdat:
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formula: Fe C O3
compound: Invigtut, Greenland
formula_title: <missing>
a: 4.364
b: 4.364
c: 12.66
alpha: 90
beta: 90
gamma: 120
cell_volume: 208.802
crystal_density: 5.528
atoms_sites: ["Fe", "C", "O"]
atoms_x: AAAAAAAAAACwmBEA
atoms_y: AAAAAAAAAAAAAAAA
atoms_z: AAAAAEBCDwBAQg8A
atoms_occupancy: 0
atoms_u_iso: 8FUAACBOAABgbQAA
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:
 Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition
 Note: run P22, P = 49.2 GPa

qdat:
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formula: Fe C O3
compound: Invigtut, Greenland
formula_title: <missing>
a: 4.355
b: 4.355
c: 12.59
alpha: 90
beta: 90
gamma: 120
cell_volume: 206.791
crystal_density: 5.582
atoms_sites: ["Fe", "C", "O"]
atoms_x: AAAAAAAAAACgoxEA
atoms_y: AAAAAAAAAAAAAAAA
atoms_z: AAAAAEBCDwBAQg8A
atoms_occupancy: 0
atoms_u_iso: AGQAACBOAACAPgAA
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:
 Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition
 Note: run P23, P = 51.9 GPa

qdat:
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formula: Fe C O3
compound: Invigtut, Greenland
formula_title: <missing>
a: 4.358
b: 4.358
c: 12.62
alpha: 90
beta: 90
gamma: 120
cell_volume: 207.570
crystal_density: 5.561
atoms_sites: ["Fe", "C", "O"]
atoms_x: AAAAAAAAAADQtBEA
atoms_y: AAAAAAAAAAAAAAAA
atoms_z: AAAAAEBCDwBAQg8A
atoms_occupancy: 0
atoms_u_iso: YG0AACBOAAAAfQAA
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:
 Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition
 Note: run P24, P = 52.6 GPa

qdat:
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formula: Fe C O3
compound: Invigtut, Greenland
formula_title: <missing>
a: 4.355
b: 4.355
c: 12.54
alpha: 90
beta: 90
gamma: 120
cell_volume: 205.970
crystal_density: 5.604
atoms_sites: ["Fe", "C", "O"]
atoms_x: AAAAAAAAAAAgsBEA
atoms_y: AAAAAAAAAAAAAAAA
atoms_z: AAAAAEBCDwBAQg8A
atoms_occupancy: 0
atoms_u_iso: MHUAACBOAACgjAAA
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:
 Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition
 Note: run P25, P = 54.0 GPa

qdat:
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formula: Fe C O3
compound: Invigtut, Greenland
formula_title: <missing>
a: 4.343
b: 4.343
c: 12.497
alpha: 90
beta: 90
gamma: 120
cell_volume: 204.134
crystal_density: 5.655
atoms_sites: ["Fe", "C", "O"]
atoms_x: AAAAAAAAAADQtBEA
atoms_y: AAAAAAAAAAAAAAAA
atoms_z: AAAAAEBCDwBAQg8A
atoms_occupancy: 0
atoms_u_iso: 0FIAACBOAABwSQAA
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:
 Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition
 Note: run P26, P = 55.96 GPa

qdat:
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formula: Fe C O3
compound: Invigtut, Greenland
formula_title: <missing>
a: 4.3474
b: 4.3474
c: 12.534
alpha: 90
beta: 90
gamma: 120
cell_volume: 205.154
crystal_density: 5.627
atoms_sites: ["Fe", "C", "O"]
atoms_x: AAAAAAAAAADwnhEA
atoms_y: AAAAAAAAAAAAAAAA
atoms_z: AAAAAEBCDwBAQg8A
atoms_occupancy: 0
atoms_u_iso: QJwAACBOAADgqwAA
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:
 Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition
 Note: run P27-1, P = 55.0 GPa

qdat:
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formula: Fe C O3
compound: Invigtut, Greenland
formula_title: <missing>
a: 4.3462
b: 4.3462
c: 12.519
alpha: 90
beta: 90
gamma: 120
cell_volume: 204.795
crystal_density: 5.636
atoms_sites: ["Fe", "C", "O"]
atoms_x: AAAAAAAAAACAuREA
atoms_y: AAAAAAAAAAAAAAAA
atoms_z: AAAAAEBCDwBAQg8A
atoms_occupancy: 0
atoms_u_iso: 4HkAACBOAACgjAAA
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:
 Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition
 Note: run P27-2, P = 55.0 GPa

qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAEAAAAQAQAAAIAAAQAAAAAAgAAACAAEAQEAAAABAAECAAgQIAAAAgAIIAGGCAAACAACAAIEAAAQAAAEEIAABAEIBiAAACAAgEQQAAQEACIwABAAgEhAAEAICIgAC==


formula: Fe C O3
compound: Invigtut, Greenland
formula_title: <missing>
a: 4.3480
b: 4.3480
c: 12.52
alpha: 90
beta: 90
gamma: 120
cell_volume: 204.981
crystal_density: 5.631
atoms_sites: ["Fe", "C", "O"]
atoms_x: AAAAAAAAAABgnREA
atoms_y: AAAAAAAAAAAAAAAA
atoms_z: AAAAAEBCDwBAQg8A
atoms_occupancy: 0
atoms_u_iso: AJYAACBOAABQkQAA
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:
 Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition
 Note: run P27-3, P = 55.0 GPa

qdat:
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formula: Fe C O3
compound: Invigtut, Greenland
formula_title: <missing>
a: 4.347
b: 4.347
c: 12.477
alpha: 90
beta: 90
gamma: 120
cell_volume: 204.183
crystal_density: 5.653
atoms_sites: ["Fe", "C", "O"]
atoms_x: AAAAAAAAAAAArREA
atoms_y: AAAAAAAAAAAAAAAA
atoms_z: AAAAAEBCDwBAQg8A
atoms_occupancy: 0
atoms_u_iso: YG0AACBOAACgjAAA
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:
 Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition
 Note: run P27-4, P = 55.0 GPa

qdat:
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formula: Ca C O3
compound: Jachymov, Bohemia, Czech Republic
pub_title: Primary minerals of the Jachymov ore district
formula_title: <missing>
a: 4.9844
b: 4.9844
c: 17.0376
alpha: 90
beta: 90
gamma: 120
cell_volume: 366.577
crystal_density: 2.720
atoms_sites: ["Ca", "C", "O"]
atoms_x: AAAAAAAAAABA2A8A
atoms_y: AAAAAAAAAAAAAAAA
atoms_z: AAAAAEBCDwBAQg8A
atoms_occupancy: 0
atoms_u_iso: SBoCAGAWAgBowgIA
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: Ni.97 Co.01 As S.02
compound: Jachymov, Bohemia, Czech Republic
pub_title: Primary minerals of the Jachymov ore district Sample MP511
formula_title: <missing>
a: 3.6190
b: 3.6190
c: 5.036
alpha: 90
beta: 90
gamma: 120
cell_volume: 57.121
crystal_density: 7.738
atoms_sites: ["Ni", "Co", "As", "S"]
atoms_x: AAAAAAAAAABVWBQAVVgUAA==
atoms_y: AAAAAAAAAACrsCgAq7AoAA==
atoms_z: AAAAAAAAAABAQg8AQEIPAA==
atoms_occupancy: QDQ7AECcAAAACT0AgDgBAA==
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAIAAAAAAAAAAAAAIAAABAAAAAAAABAAAhAAAAAAACAAAAQAAAAICBIAAAAACAAIIAAAACAQQAAAAABAAAAEIIEAAAEAQIAACAKEAAAgEEAACIUAIAEBQAAAEEQQAAAAA==


formula: Zn.9 Fe.11 S.99
compound: Jachymov, Bohemia, Czech Republic
pub_title: Primary minerals of the Jachymov ore district Sample J1215P
formula_title: <missing>
a: 5.4174
b: 5.4174
c: 5.4174
alpha: 90
beta: 90
gamma: 90
cell_volume: 158.991
crystal_density: 4.041
atoms_sites: ["Zn", "Fe", "S"]
atoms_x: AAAAAAAAAABAQg8A
atoms_y: AAAAAAAAAABAQg8A
atoms_z: AAAAAAAAAABAQg8A
atoms_occupancy: gO42AMC2BgDAbDwA
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Na.73 Li2.56 Ca.04 Mg1.1 Fe1.16 Zn.02 Al1.98 Mn.08 Si8 O22.98 F1.02 H.98
compound: Sutlug River, Tuva Republic, Russia
formula_title: <missing>
a: 9.3720
b: 17.6312
c: 5.2732
alpha: 90
beta: 102.247
gamma: 90
cell_volume: 851.512
crystal_density: 3.118
pub_title:
 Fluoro-sodic-ferropedrizite, NaLi2(Fe2+2Al2Li)Si8O22F2, a new mineral of the amphibole
 group from the Sutlug River, Tuva Republic, Russia: description and crystal structure

atoms_sites:
["NaA", "NaAm", "LiM4", "NaM4", "CaM4", "MgM1", "FeM1", "ZnM1", "AlM2", "FeM2", "LiM3", "FeM3", "MnM3", "SiT1", "SiT2", "O1", "O2", "O-H3", "F3", "O4", "O5", "O6", "O7"]

atoms_x:
AAAAADBdBAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAMBbEQDgJhIAAKQGAOBPBwDQKAcA4OYLAFAHFwAw2BUAYCEVAPCMFAA=

atoms_y:
gIQeAICEHgAwsQ8AMLEPADCxDwDgdAUA4HQFAOB0BQAg8woAIPMKAAAAAAAAAAAAAAAAAHBdBQCgmwoAcMEFAGCuCgAAAAAAAAAAAEB0DwCg3wcAIIgHAAAAAAA=

atoms_z:
AAAAAMDcCACAhB4AgIQeAICEHgCAhB4AgIQeAICEHgAAAAAAAAAAAAAAAAAAAAAAAAAAALACEQBwVTAAIB8MAIBDLQBAaCoAQI4sAKBNMACA9AMAoFYiADCMEQA=

atoms_occupancy:
wNQBAACIEwDA+zkAwNQBAIA4AQDAkSEAANsaAECcAADAbDwAQJwAAIBIKACA3g8AAOIEAAAJPQAACT0AAAk9AAAJPQBA6B0AwCAfAAAJPQAACT0AAAk9AAAJPQA=

atoms_u_iso:
EIkCABDVAQCwOgEAsDoBALA6AQDgagAA4GoAAOBqAAAgUwAAIFMAAFBBAABQQQAAUEEAADhFAABISQAA6GIAAMhuAAAQuAAAAF8AAIiGAABYmAAASKgAAFCgAAA=

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: Ca2 Mg.47 Mn.01 Fe.1 Cr.04 Al2.36 Ti.02 Si3 O14 H3
compound: Osayama ultramafic body, Okayama, Japan
pub_title: Crystal chemistry of chromian pumpellyite from Osayama, Okayama Prefecture, Japan Sample: ocp1211
formula_title: <missing>
a: 19.1129
b: 5.8963
c: 8.818
alpha: 90
beta: 97.449
gamma: 90
cell_volume: 985.361
crystal_density: 3.207
atoms_sites:
["CaW1", "CaW2", "MgX", "MnX", "FeX", "CrX", "AlX", "AlY", "TiY", "SiZ1", "SiZ2", "SiZ3", "O1", "O2", "O3", "O4", "O-h5", "O6", "O-h7", "O8", "O9", "O10", "O11", "H7", "H10", "H11"]

atoms_x:
6LcUAOhtCQBAQg8AQEIPAEBCDwBAQg8AQEIPAOg/HgDoPx4A6HsFAIAbDwAgmhgAcFQEABD/DgDQehkAsCUbAJDvGwAwvgIAUAgCAKC0CgCQvwoAMBwTAMBNCwDgIgIAQBgWAKAqCAA=

atoms_y:
gIQeAICEHgBAQg8AQEIPAEBCDwBAQg8AQEIPABAEDwAQBA8AAAAAAAAAAAAAAAAAUMANAFAkDgDApQ0AgIQeAAAAAACAhB4AAAAAAAAAAACAhB4AAAAAAAAAAAAAAAAAAAAAAAAAAAA=

atoms_z:
0EMPAFimCwCAhB4AgIQeAICEHgCAhB4AgIQeAAiODwAIjg8AgBgDALgaCgBQaxwAwF8IALA6EADQZBYAoPgHAFAWCABgmBYAUHEWAEAsAgAwKx0AgA0EADBXHgCAPx0AwDMHAGC/HAA=

atoms_occupancy:
AAk9AAAJPQDArxwAQJwAAIAaBgAAcQIAgDEXAMBsPABAnAAAAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQA=

atoms_u_iso:
cN8AANAaAQBQ3AAAUNwAAFDcAABQ3AAAUNwAAICJAACAiQAAkLAAAPC5AABQqgAAMPIAACDkAACA7QAAILIAALDlAABwxgAA0OgAAJD7AADA8wAAMD0BAGADAQBADQMAQA0DAEANAwA=

atoms_aniso_label:
["CaW1", "CaW2", "MgX", "MnX", "FeX", "CrX", "AlX", "AlY", "TiY", "SiZ1", "SiZ2", "SiZ3", "O1", "O2", "O3", "O4", "O-h5", "O6", "O-h7", "O8", "O9", "O10", "O11"]

atoms_aniso_u11:
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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 Mg.45 Mn.01 Fe.05 Cr.27 Al2.22 Si3 O14 H2
compound: Osayama ultramafic body, Okayama, Japan
pub_title: Crystal chemistry of chromian pumpellyite from Osayama, Okayama Prefecture, Japan Sample: ocp0604
formula_title: <missing>
a: 19.0935
b: 5.900
c: 8.810
alpha: 90
beta: 97.540
gamma: 90
cell_volume: 983.880
crystal_density: 3.231
atoms_sites:
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qdat:
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formula: Ca2 Mg.4 Mn.01 Fe.03 Cr.31 Al2.25 Si3 O14 H2
compound: Osayama ultramafic body, Okayama, Japan
pub_title: Crystal chemistry of chromian pumpellyite from Osayama, Okayama Prefecture, Japan Sample: ocp1028
formula_title: <missing>
a: 19.105
b: 5.9021
c: 8.8143
alpha: 90
beta: 97.513
gamma: 90
cell_volume: 985.365
crystal_density: 3.230
atoms_sites:
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atoms_aniso_u23:
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qdat:
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formula: Ca2 Mg.45 Mn.02 Fe.08 Cr.46 Al1.99 Si3 O14
compound: Osayama ultramafic body, Okayama, Japan
pub_title: Crystal chemistry of chromian pumpellyite from Osayama, Okayama Prefecture, Japan Sample: ocp1013
formula_title: <missing>
a: 19.1558
b: 5.9125
c: 8.844
alpha: 90
beta: 97.448
gamma: 90
cell_volume: 993.209
crystal_density: 3.227
atoms_sites:
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qdat:
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formula: Ca2 Mg.48 Mn.02 Fe.09 Cr.42 Al1.99 Si3 O14 H
compound: Osayama ultramafic body, Okayama, Japan
pub_title: Crystal chemistry of chromian pumpellyite from Osayama, Okayama Prefecture, Japan Sample: ocp1016
formula_title: <missing>
a: 19.174
b: 5.9194
c: 8.830
alpha: 90
beta: 97.497
gamma: 90
cell_volume: 993.625
crystal_density: 3.227
atoms_sites:
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qdat:
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formula: Ag Pb Bi1.998 Sb.911 S6
compound: Kutna Hora polymetallic deposit, Czech Republic
pub_title: Natural monoclinic AgPb(Bi2Sb)S6, an Sb-rich gustavite,
formula_title: <missing>
a: 7.0455
b: 19.5294
c: 8.3412
alpha: 90
beta: 107.446
gamma: 90
cell_volume: 1094.908
crystal_density: 6.284
atoms_sites: ["Ag1b", "Pb3", "Bi1a", "Bi2b", "Sb2b", "Sb2a", "Bi2a", "S3", "S4b", "S1a", "S4a", "S1b", "S2"]
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atoms_u_iso: UAIDAOAiAgDgcwEAIHoBACB6AQAwVgEAMFYBAKCGAQBAlgEAIMUBAKCGAQDgpQEAwNQBAA==
atoms_aniso_label: ["Ag1b", "Pb3", "Bi1a", "Bi2b", "Sb2b", "Sb2a", "Bi2a", "S3", "S4b", "S1a", "S4a", "S1b", "S2"]
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qdat:
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formula: (Y Ca2) Sb Fe4 O12
compound: Synthetic
pub_title: Magnetic ordering in the garnet YCa2SbFe4O12 T = 10 K
formula_title: YCa2SbFe4O12
a: 12.521
b: 12.521
c: 12.521
alpha: 90
beta: 90
gamma: 90
cell_volume: 1962.985
crystal_density: 4.779
atoms_sites: ["Y", "Ca", "Sb1", "Fe1", "Fe2", "O"]
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atoms_y: AAAAAAAAAAAAAAAAAAAAAAAAAADwQwMA
atoms_z: QEIPAEBCDwAAAAAAAAAAAEBCDwDgEQkA
atoms_occupancy: SFgUALiwKACAhB4AgIQeAAAJPQAACT0A
atoms_u_iso: SJ4AAEieAADoYgAA6GIAANgTAABgOwAA
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: Pt Sb1.347 Sn1.821
compound: Synthetic
pub_title: SnxPt4SnySb12-y: A skutterudite with covalently bonded filler
formula_title: SnxPt4SnySb12-y
a: 9.3887
b: 9.3887
c: 9.3887
alpha: 90
beta: 90
gamma: 90
cell_volume: 827.592
crystal_density: 9.234
atoms_sites: ["Pt", "Sb", "Sn1", "Sn2"]
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atoms_y: QEIPAAAAAAAAAAAAIEgBAA==
atoms_z: QEIPAOikCQAgVAkAgKMEAA==
atoms_occupancy: AAk9AKBnGwDgaCAAwFECAA==
atoms_u_iso: MGsAADiaAABojQAAAPQBAA==
atoms_aniso_label: ["Pt", "Sb", "Sn1", "Sn2"]
atoms_aniso_u11: MGsAAFDDAACwzAAAIMUBAA==
atoms_aniso_u22: MGsAAEBqAAAQWQAAwFECAA==
atoms_aniso_u33: MGsAAPCgAACwgQAAwNQBAA==
atoms_aniso_u12: wBcAAAAAAAAAAAAAgET//w==
atoms_aniso_u13: wBcAANAgAADYCQAAwGP//w==
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pub_title:
 Soluzioni solide, isomorfismo e simmorfismo tra gli ossidi dei metalli
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formula: (Ca.25 Cd.75) O
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pub_title:
 Soluzioni solide, isomorfismo e simmorfismo tra gli ossidi dei metalli
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formula: Pd K2 Cl6
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pub_title:
 Die Krystallstruktur des Ammonium-, Kalium-, Rubidium- und
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 Die Krystallstruktur des Ammonium-, Kalium-, Rubidium- und
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formula: Cl2 P N
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pub_title: The Crystal Structure of Tetra Phosphonitrile Chloride , $= P4N4Cl8 _cod_database_code 1010890
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pub_title: The Crystal Structure of Potassium Persulfate K2 S2 O8 _cod_database_code 1010892
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formula: Li H
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pub_title: Gitterdimensionen des Lithiumhydrids Li H und Lithiumdeuterids Li D _cod_database_code 1010895
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b: 4.085
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formula: (Li.67 Ti.33) O
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beta: 90
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pub_title:
 Ueber die Steinsalzstruktur der Verbindung Li2 Ti O3 und ihre
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 _cod_database_code 1010897

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formula: Sr Cl2
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pub_title: Ueber das Beugungsvermoegen der Atome fur Roentgenstrahlen. _cod_database_code 1010899
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formula: Cs I O3
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pub_title:
 Untersuchungen ueber die Kristallstruktur von Sesquioxyden und
 Verbindungen ABO3
 _cod_database_code 1010900

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formula: Sr Zr O3
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pub_title:
 Untersuchungen ueber die Kristallstruktur von Sesquioxyden und
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formula: Cd Ti O3
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pub_title:
 Untersuchungen ueber die Kristallstruktur von Sesquioxyden und
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formula: K S
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pub_title: Zur Kenntnis der Hydrosulfide und Hydroselenide der Alkalimetalle _cod_database_code 1010904
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pub_title: Die Kristallstruktur des Berzeliit (Ca, Na)3 (Mg, Mn)2 (As O4)3 _cod_database_code 1010911
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formula: Zr O2
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pub_title: Zur Struktur des Baddeleyits Zr O2 _cod_database_code 1010912
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pub_title: The Crystal Structure of Columbite _cod_database_code 1010915
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pub_title:
 The Crystal Structures of Some Natural and Synthetic Apatite-Like
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pub_title:
 Beitrag zur Kenntnis des Barytocalcits und seiner strukturellen
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pub_title: Ricerche sul solfato di calcio semidrato e sull'anidrite solubile _cod_database_code 1010918
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pub_title: The Crystal Structure of Covellite _cod_database_code 1010920
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formula: Si O2
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pub_title: The Cristobalite Structures. I. High-Cristobalite _cod_database_code 1010921
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pub_title: The Structure of Andalusite, Al2 Si O5 _cod_database_code 1010924
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pub_title: Ueber die Struktur von Adamin. _cod_database_code 1010925
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pub_title:
 The crystal structure of the modification C of the sesquioxides of the
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 A Redetermination of the Carbon - Oxygen Distance in Calcite and the
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pub_title: The Crystal Structure of Chalcopyrite Determined by X-Rays _cod_database_code 1010929
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 Roentgenographische Untersuchungen der Kristallstrukturen von
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formula: Fe2 C
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pub_title: A study on the structure of cementite _cod_database_code 1010931
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formula: Cu Fe S2
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formula: Cu2 O
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 Zur Kristallstruktur von Anastas und Rutil. (II. Teil. Die
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formula: Be O
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pub_title: Ueber Berylliumoxyd als Mineral und dessen Kristallstruktur. _cod_database_code 1010943
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formula: Hg Te
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pub_title: Die Struktur des Tiemannit und Koloradoit. _cod_database_code 1010945
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formula: Al2 Na3 Li3 F12
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pub_title: Die Kristallstruktur von Kryolithionit. _cod_database_code 1010947
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pub_title:
 Silicate structures of the cristobalite type: III. Structural
 relationship of high-cristobalite, alpha-Carnegieite, and Na2SiO4
 _cod_database_code 1010953

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formula: Si O2
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formula_title: <missing>
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b: 7.12
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beta: 90
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cell_volume: 360.944
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pub_title:
 The crystal structure of the high temperature form of Cristobalite (SiO2)
 _cod_database_code 1010954

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formula: Cu S
compound: Sardinia, Italy
pub_title: Die Kristallstruktur des Covellins CuS
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formula: Pb C O2
compound: <missing>
pub_title: The crystal structure of Cerussite _cod_database_code 1010956
formula_title: <missing>
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formula: Na Al Si O4
compound: <missing>
formula_title: <missing>
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b: 7.37
c: 7.37
alpha: 90
beta: 90
gamma: 90
cell_volume: 400.316
crystal_density: 2.357
atoms_sites: ["Na1", "Al1", "Si1", "O1", "O2"]
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pub_title:
 Silicate structures of the cristobalite type. The crystal structure of
 alpha-carnegieite (Na Al Si O4)
 _cod_database_code 1010957

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formula: Ba Si3 O9 Ti
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formula: Fe4.32 Mn.62 Zn.06 P3 O17 H5
compound: Hagendorf pegmatite, Bavaria, Germany
formula_title: <missing>
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pub_title:
 Manganoan rockbridgeite Fe4.32Mn0.62Zn0.06(PO4)3(OH)5:
 structure analysis and 57Fe Mossbauer spectroscopy

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formula_title: <missing>
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pub_title:
 On the solid solubility and structural properties of PdAs2-xSbx,
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pub_title:
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pub_title:
 On the solid solubility and structural properties of PdAs2-xSbx,
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formula: K.17 Mg.4 Ca1.6 Sr.34 (Al3.84 Si8.16) O39.04 H30.08
compound: Keller, Nidda, Germany
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pub_title:
 Position of cations and water molecules in hydrated chabazite.
 Natural and Na-, Ca-, Sr- and K-exchanged chabazites
 Note: Natural chabazite

atoms_sites:
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compound: Keller, Nidda, Germany
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pub_title:
 Position of cations and water molecules in hydrated chabazite.
 Natural and Na-, Ca-, Sr- and K-exchanged chabazites
 Note: Na-exchanged

atoms_sites:
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compound: Keller, Nidda, Germany
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pub_title:
 Position of cations and water molecules in hydrated chabazite.
 Natural and Na-, Ca-, Sr- and K-exchanged chabazites
 Note: K-exchanged

atoms_sites:
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compound: Keller, Nidda, Germany
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pub_title:
 Position of cations and water molecules in hydrated chabazite.
 Natural and Na-, Ca-, Sr- and K-exchanged chabazites
 Note: Ca-exchanged

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compound: Keller, Nidda, Germany
formula_title: <missing>
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pub_title:
 Position of cations and water molecules in hydrated chabazite.
 Natural and Na-, Ca-, Sr- and K-exchanged chabazites
 Note: Sr-exchanged

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pub_title: Crystal structures with a chabazite framework. II. Hydrated Ca-chabazite at room temperature
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compound: Mont Semiol, Montbrison, Loire, France
pub_title: Crystal structure refinement of mazzite
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formula: Ca1.359 Sr.291 Al3.804 Si8.304 O31.68 H15.36
compound: Northeast Azerbaijan
pub_title: Cation-site location in a natural chabazite
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beta: 94.20
gamma: 94.20
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formula: Ca1.568 Na.492 Al3.396 Si8.556 O36.471 H24.942
compound: Komuro, Ohhito, Shizuoka Prefecture, Japan
formula_title: <missing>
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alpha: 94.369
beta: 94.369
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cell_volume: 821.456
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pub_title:
 Crystallographic configurations of water molecules and exchangeable cations in a
 hydrated natural CHA-zeolite (chabazite)

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formula: (Al.32 Si.68) O2
compound: <missing>
pub_title: Crystal structure of chabazite, a molecular sieve Note: extra-framework cations not located
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formula: Na.75 Mg (Si15.246 Al2.754) O42 H12
compound: Kamloops Lake, British Columbia, Canada
pub_title: The crystal structure of the zeolite ferrierite
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formula: Ca.848 K.652 Mg.66 (Si8.688 Al3.312) O37.22 H26.44
compound: Mont Semiol, Montbrison, France
pub_title: Occurrence and crystal structure of magnesian chabazite
formula_title: <missing>
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beta: 94.57
gamma: 94.57
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formula: K6.94 Ba.16 Mn.18 Sr.5 Ca12.82 Na3.18 Si35 O92.59 F H4.18
compound: Murun massif, Yakutiya, Russia
formula_title: <missing>
a: 31.96
b: 19.64
c: 7.09
alpha: 90
beta: 90.0
gamma: 90
cell_volume: 4450.353
crystal_density: 2.553
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pub_title:
 The structure of charoite, (K,Sr,Ba,Mn)15-16(Ca,Na)32[(Si70(O,OH)180)](OH,F)4.0*nH2O,
 solved by conventional and automated electron diffraction
 Note: this is polytype charoite-90

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 Crystal chemistry and low-temperature behavior of datolite:
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 Crystal chemistry and low-temperature behavior of datolite:
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 Crystal chemistry and low-temperature behavior of datolite:
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 Crystal chemistry and low-temperature behavior of datolite:
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 Crystal chemistry and low-temperature behavior of datolite:
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pub_title:
 Crystal chemistry and low-temperature behavior of datolite:
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pub_title:
 Crystal chemistry and low-temperature behavior of datolite:
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pub_title:
 Kinetics of Fe-oxidation/deprotonation process in Fe-rich phlogopite
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 Sample: SA1_9

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pub_title:
 Kinetics of Fe-oxidation/deprotonation process in Fe-rich phlogopite
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 Sample: SA1_18n

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pub_title:
 Kinetics of Fe-oxidation/deprotonation process in Fe-rich phlogopite
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 Sample: SA1_14n

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pub_title:
 Kinetics of Fe-oxidation/deprotonation process in Fe-rich phlogopite
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pub_title:
 Kinetics of Fe-oxidation/deprotonation process in Fe-rich phlogopite
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 Sample: SA1_15n

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pub_title:
 On the crystal chemistry of londonite [(Cs,K,Rb)Al4Be5B11O28]:
 a single-crystal neutron diffraction study at 300 and 20 K
 Note: neutron diffraction study at T = 300 K

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pub_title:
 On the crystal chemistry of londonite [(Cs,K,Rb)Al4Be5B11O28]:
 a single-crystal neutron diffraction study at 300 and 20 K
 Note: neutron diffraction study at T = 20 K

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pub_title:
 Lead-tellurium oxysalts from Otto Mountain near Baker, California: III.
 Thorneite, Pb6(Te6+2O10)(CO3)Cl2(H2O), the first mineral with
 edge-sharing octahedral tellurate dimers

atoms_sites:
["Pb1", "Pb2", "Pb3", "Te", "C", "Cl", "O-H", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "Owat", "H"]

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compound: Otto Mountain, Baker, California
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pub_title:
 Lead-tellurium oxysalts from Otto Mountain near Baker, California: IV.
 Markcooperite, Pb(UO2)Te6+O6, the first natural uranyl tellurate

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compound: Otto Mountain, Baker, California
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pub_title:
 Lead-tellurium oxysalts from Otto Mountain near Baker, California: V.
 Timroseite, Pb2Cu2+5(Te6+O6)2(OH)2, and paratimroseite,
 Pb2Cu2+4(Te6+O6)2(H2O)2, two new tellurates with Te-Cu polyhedral sheets

atoms_sites:
["Pb1", "Pb1a", "Pb2", "Pb2a", "Cu1", "Cu2", "Cu3", "Te", "O1", "O2", "O3", "O4", "O5", "O6", "O-H1", "O-H2"]

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formula: Pb Cu2 Te O7 H2
compound: Otto Mountain, Baker, California
formula_title: <missing>
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alpha: 90
beta: 90
gamma: 90
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pub_title:
 Lead-tellurium oxysalts from Otto Mountain near Baker, California: V.
 Timroseite, Pb2Cu2+5(Te6+O6)2(OH)2, and paratimroseite,
 Pb2Cu2+4(Te6+O6)2(H2O)2, two new tellurates with Te-Cu polyhedral sheets

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formula: Co As3
compound: Skutterud, Norway
pub_title: The crystal structure of skutterudite and related minerals
formula_title: <missing>
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alpha: 90
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cell_volume: 545.339
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formula: Ru S2
compound: <missing>
formula_title: <missing>
a: 5.57
b: 5.57
c: 5.57
alpha: 90
beta: 90
gamma: 90
cell_volume: 172.809
crystal_density: 6.350
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pub_title:
 Uber die Kristallstrukturen der verbindungen RuS2, OsS2, MnTe2 und AuSb2.
 Mit einem Anhang uber die Gitterkonstant von Pyrit

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formula: Os S2
compound: <missing>
formula_title: <missing>
a: 5.64
b: 5.64
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alpha: 90
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pub_title:
 Uber die Kristallstrukturen der verbindungen RuS2, OsS2, MnTe2 und AuSb2.
 Mit einem Anhang uber die Gitterkonstant von Pyrit

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formula: Mn Te2
compound: <missing>
formula_title: MnTe2
a: 6.943
b: 6.943
c: 6.943
alpha: 90
beta: 90
gamma: 90
cell_volume: 334.689
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pub_title:
 Uber die Kristallstrukturen der verbindungen RuS2, OsS2, MnTe2 und AuSb2.
 Mit einem Anhang uber die Gitterkonstant von Pyrit

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formula: Ru S2
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formula: Fe S2
compound: <missing>
formula_title: <missing>
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alpha: 90
beta: 90
gamma: 90
cell_volume: 158.692
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formula: K.737 Cu1.48 Fe.54 S2
compound: Murun pluton, Eastern Siberia, Russia
pub_title: Crystal chemistry of murunskite
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formula: Pb3 Fe2 P4 O17 H2
compound: Synthetic
formula_title: Pb3Fe2(PO4)4(H2O)
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c: 16.766
alpha: 90
beta: 90
gamma: 90
cell_volume: 1371.357
crystal_density: 5.479
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pub_title:
 Pb3Fe3+2(PO4)4(H2O), a new octahedral-tetrahedral framework structure
 with double-strand chains
 T = 220 C

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formula: Fe2 O3
compound: Synthetic
formula_title: <missing>
a: 5.0346
b: 5.0346
c: 13.7473
alpha: 90
beta: 90
gamma: 120
cell_volume: 301.771
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pub_title:
 Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars
 Note: P = 0.001 kbar

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formula: Fe2 O3
compound: Synthetic
formula_title: <missing>
a: 5.0249
b: 5.0249
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alpha: 90
beta: 90
gamma: 120
cell_volume: 299.932
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pub_title:
 Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars
 Note: P = 15.4 kbar

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compound: Synthetic
formula_title: <missing>
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pub_title:
 Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars
 Note: P = 31.4 kbar

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compound: Synthetic
formula_title: <missing>
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alpha: 90
beta: 90
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pub_title:
 Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars
 Note: P = 41.6 kbar

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 Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars
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pub_title:
 Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars
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 Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars
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 Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars
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 Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars
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 Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars
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 Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars
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 Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars
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pub_title:
 Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars
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pub_title:
 Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars
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 Lead-tellurium oxysalts from Otto Mountain near Baker, California:
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 On the crystal and magnetic ordering structures of clinoatacamite,
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 Crystal structure of low magnesium-content alite:
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 The effect of oxygen vacancies and aluminium substitution on the
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 The effect of oxygen vacancies and aluminium substitution on the
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 The effect of oxygen vacancies and aluminium substitution on the
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 The effect of oxygen vacancies and aluminium substitution on the
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 The effect of oxygen vacancies and aluminium substitution on the
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 The effect of oxygen vacancies and aluminium substitution on the
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 The effect of oxygen vacancies and aluminium substitution on the
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 The effect of oxygen vacancies and aluminium substitution on the
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 The effect of oxygen vacancies and aluminium substitution on the
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 The crystal structure of alumoklyuchevskite, K3Cu3AlO2(SO4)4
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pub_title:
 Synthesis and structural study of five new trisilicates, BaREE2Si3O10
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formula: Pt Bi2
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pub_title: Redetermined crystal structures of PdAs2, PdSb2, PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2
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formula: Pb2.5 Bi2.5 Cu S7
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formula: Ca4.28 Na1.82 Ce.9 (Ti.86 Zr.09 Nb.05) Si4 O15.3 F2.7
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pub_title: <<Johnstrupite>>: a chemical and structural study
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formula: Pd6 As2.196 Hg.804
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 Atheneite, [Pd2][As0.75Hg0.25], from Itabira, Minas Gerais, Brazil:
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 Depmeierite Na8[Al6Si6O24](PO4,CO3)1-x*3H2O (x<0.5) - a new cancrinite
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pub_title:
 Redetermination and crystallographic analysis of the structure of
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 Carlhintzeite, Ca2AlF7*H2O, from the Gigante granitic pegmatite,
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compound: Pocos de Caldas massif, Minas Gerais, Brazil
pub_title: Manganoeudialyte - a new mineral from Pocos de Caldas, Minas Gerais, Brazil
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formula: Cr2 O3
compound: Synthetic
formula_title: <missing>
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alpha: 90
beta: 90
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cell_volume: 288.472
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pub_title:
 Electron density in synthetic eskolaite Cr2O3 with a corundum structure
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pub_title:
 Residual electron density study of chromium sesquioxide
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pub_title:
 Residual electron density study of chromium sesquioxide
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compound: Synthetic
formula_title: <missing>
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cell_volume: 289.242
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pub_title:
 Residual electron density study of chromium sesquioxide
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 Synchrotron X-ray study of the electron density in alpha-Fe2O3
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 Synchrotron X-ray study of the electron density in alpha-Fe2O3
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 Synchrotron X-ray study of the electron density in alpha-Fe2O3
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formula: Ca Al2 O4
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compound: Capo di Bove, Italy
pub_title: Isomorph in melilites: refining of crystal structure of akermanite and intermediate melilite
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formula: Ca5 Al6.5 Mg.75 Si.75 O17
compound: Synthetic
pub_title: The structure of a quaternary phase Ca20Al32-2vMgvSivO68
formula_title: Ca20Al26Mg3Si3O68
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b: 10.799
c: 5.123
alpha: 90
beta: 90
gamma: 90
cell_volume: 1529.025
crystal_density: 2.985
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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atoms_aniso_u33: 0
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atoms_aniso_u23: 0
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formula: (Ca.58 Na.42) Mg.5 Fe.5 Si2 O6
compound: Mount Anakie, Victoria, Australia
pub_title: The crystal structure of yellow aegirine-augite from Mount Anakie, Victoria
formula_title: <missing>
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b: 8.813
c: 5.2184
alpha: 90
beta: 106.40
gamma: 90
cell_volume: 426.318
crystal_density: 3.508
atoms_sites: ["CaM2", "NaM2", "MgM1", "Fe2+M1", "Fe3+M1", "Si", "O1", "O2", "O3"]
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compound: Felbertal scheelite deposit, Hobe Tauern Window, Pinzgau, Austria
formula_title: <missing>
a: 23.870
b: 4.0647
c: 19.130
alpha: 90
beta: 90
gamma: 90
cell_volume: 1856.077
crystal_density: 7.069
pub_title:
 The crystal chemistry of cosalite based on new electron-microprobe data and
 single-crystal determination of the structure
 Note: Sample 1

atoms_sites:
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formula: Bi4 Pb3.867 Cu.26 S10
compound: Habachtal, Hobe Tauern Window, Pinzgau, Austria
formula_title: <missing>
a: 23.894
b: 4.0616
c: 19.143
alpha: 90
beta: 90
gamma: 90
cell_volume: 1857.787
crystal_density: 7.059
pub_title:
 The crystal chemistry of cosalite based on new electron-microprobe data and
 single-crystal determination of the structure
 Note: Sample 2

atoms_sites:
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formula: Bi3.875 Sb.447 Pb3.32 Ag.331 Cu.203 S10
compound: Altenberg, Hobe Tauern Window, Lungau, Austria
formula_title: <missing>
a: 23.652
b: 4.0539
c: 19.095
alpha: 90
beta: 90
gamma: 90
cell_volume: 1830.883
crystal_density: 6.971
pub_title:
 The crystal chemistry of cosalite based on new electron-microprobe data and
 single-crystal determination of the structure
 Note: Sample 3

atoms_sites:
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formula: Bi4 Pb3.695 Cu.73 S10
compound: Ocna de Fier, Romania
formula_title: <missing>
a: 23.816
b: 4.0408
c: 19.057
alpha: 90
beta: 90
gamma: 90
cell_volume: 1833.964
crystal_density: 7.130
pub_title:
 The crystal chemistry of cosalite based on new electron-microprobe data and
 single-crystal determination of the structure
 Note: Sample 4

atoms_sites:
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formula: Bi4 Pb3.643 Ag.308 Cu.358 S10
compound: Erzwiess, Hobe Tauern Window, Gasteinertal, Austria
formula_title: <missing>
a: 23.846
b: 4.0559
c: 19.066
alpha: 90
beta: 90
gamma: 90
cell_volume: 1844.006
crystal_density: 7.087
pub_title:
 The crystal chemistry of cosalite based on new electron-microprobe data and
 single-crystal determination of the structure
 Note: Sample 5

atoms_sites:
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formula: Bi4 Pb3.446 Ag.51 Cu.463 S10
compound: Schareck, Hobe Tauern Window, Schareck-Siglitz, Gasteinertal, Austria
formula_title: <missing>
a: 23.879
b: 4.0453
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cell_volume: 1836.999
crystal_density: 7.069
pub_title:
 The crystal chemistry of cosalite based on new electron-microprobe data and
 single-crystal determination of the structure
 Note: Sample 6

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formula: Ca Al2 O11.84 H15.68
compound: <missing>
pub_title: Crystal structure solution of hydrated high-alumina cement from X-ray powder diffraction data
formula_title: CaAl2(OH)8(H2O)2*1.84H2O
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gamma: 120
cell_volume: 1925.340
crystal_density: 1.549
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formula: Ca Al4 O7
compound: Synthetic
pub_title: The crystal structure of CaO.2Al2O3
formula_title: <missing>
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b: 8.8624
c: 5.4311
alpha: 90
beta: 106.83
gamma: 90
cell_volume: 591.542
crystal_density: 2.919
atoms_sites: ["Ca1", "Al1", "Al2", "O1", "O2", "O3", "O4"]
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formula: Sn Sb4 S7
compound: Synthetic
pub_title: The crystal structure of SnSb4S7, a new member of the meneghinite homologous series
formula_title: SnSb4S7
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b: 3.865
c: 13.940
alpha: 90
beta: 105.281
gamma: 90
cell_volume: 588.909
crystal_density: 4.682
atoms_sites: ["Sn", "Sb1", "Sb2", "Sb3", "Sb4", "S1", "S2", "S3", "S4", "S5", "S6", "S7"]
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formula: Cu1.68 Ag.32 Pb Bi4 Se8
compound: Zalesi uranium deposit, Czech Republic
formula_title: <missing>
a: 12.952
b: 4.1523
c: 15.155
alpha: 90
beta: 108.931
gamma: 90
cell_volume: 770.959
crystal_density: 7.823
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pub_title:
 The crystal structure of watkinsonite, Cu2PbBi4Se8,
 from the Zalesi uranium deposit, Czech Republic

atoms_sites:
["Cu1", "Ag1", "Cu2", "Pb", "Bi1", "Bi2", "Bi3", "Bi4", "Se1", "Se2", "Se3", "Se4", "Se5", "Se6", "Se7", "Se8"]

atoms_aniso_label:
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formula: Ca3 Si O5
compound: <missing>
pub_title: Crystal structure of tricalcium silicate, 3CaO.SiO2 = C3S
formula_title: Ca3SiO5
a: 11.67
b: 14.24
c: 13.72
alpha: 105.5
beta: 94.33
gamma: 90.
cell_volume: 2190.324
crystal_density: 3.116
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atoms_sites:
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formula: Ca C O3
compound: Cuenca, Spain
formula_title: <missing>
a: 4.9566
b: 7.9808
c: 5.7464
alpha: 90
beta: 90
gamma: 90
cell_volume: 227.314
crystal_density: 2.925
atoms_sites: ["Ca", "C", "O1", "O2"]
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pub_title:
 Temperature dependence of the structural parameters
 in the transformation of aragonite to calcite,
 as determined from in situ synchrotron powder X-ray-diffraction data
 Note: T = 50 C
 Note: P = 101 kPa

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formula: Ca C O3
compound: Cuenca, Spain
formula_title: <missing>
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alpha: 90
beta: 90
gamma: 90
cell_volume: 227.591
crystal_density: 2.921
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pub_title:
 Temperature dependence of the structural parameters
 in the transformation of aragonite to calcite,
 as determined from in situ synchrotron powder X-ray-diffraction data
 Note: T = 70 C
 Note: P = 101 kPa

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formula: Ca C O3
compound: Cuenca, Spain
formula_title: <missing>
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b: 7.9867
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alpha: 90
beta: 90
gamma: 90
cell_volume: 227.903
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pub_title:
 Temperature dependence of the structural parameters
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 Note: T = 92 C
 Note: P = 101 kPa

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