# cif

formula: Fe2 S3 O12
compound: <missing>
pub_title: The crystal structure of the monoclinic Fe2(SO4)3
formula_title: Fe2(SO4)3
a: 8.2955
b: 8.5332
c: 11.6304
alpha: 90
beta: 90.25
gamma: 90
cell_volume: 823.275
crystal_density: 3.226
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formula: Pb O H Cl
compound: <missing>
pub_title: The crystal structure of laurionite, Pb(OH)Cl
formula_title: <missing>
a: 9.6987
b: 4.0203
c: 7.1110
alpha: 90
beta: 90
gamma: 90
cell_volume: 277.270
crystal_density: 6.220
atoms_sites: ["Pb", "O", "H", "Cl"]
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formula: Yb Fe2 O4
compound: <missing>
pub_title: Die kristallstruktur von YbFe2O4
formula_title: YbFe2O4
a: 3.455
b: 3.455
c: 25.054
alpha: 90
beta: 90
gamma: 120
cell_volume: 259.002
crystal_density: 6.707
atoms_sites: ["Yb", "Fe", "O1", "O2"]
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formula: Hg P O4
compound: <missing>
pub_title: The crystal structure of mercury(I) dihydrogenphosphate, Hg2(H2PO4)2
formula_title: Hg2(H2PO4)2
a: 6.0754
b: 14.5034
c: 4.7280
alpha: 90
beta: 92.172
gamma: 90
cell_volume: 416.303
crystal_density: 4.716
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formula: Cu S O9 H10
compound: <missing>
pub_title: Neutron-diffraction studies of CuSO4*5(H2O) and CuSO4*5(D2O)
formula_title: <missing>
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b: 10.736
c: 5.986
alpha: 82.27
beta: 107.43
gamma: 102.67
cell_volume: 366.361
crystal_density: 2.263
atoms_occupancy: 0
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formula: Cu S O9 D10
compound: <missing>
pub_title: Neutron-diffraction studies of CuSO4*5(H2O) and CuSO4*5(D2O)
formula_title: <missing>
a: 6.141
b: 10.736
c: 5.986
alpha: 82.27
beta: 107.43
gamma: 102.67
cell_volume: 366.361
crystal_density: 2.355
atoms_occupancy: 0
atoms_u_iso: 0
atoms_sites:
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formula: Na Nb O3
compound: <missing>
formula_title: <missing>
a: 7.8147
b: 7.8147
c: 7.8147
alpha: 89.17
beta: 89.17
gamma: 89.17
cell_volume: 477.091
crystal_density: 4.564
atoms_sites: ["Na1", "Na2", "Nb1", "Nb2", "O1", "O2", "O3", "O4"]
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pub_title:
 Verfeinerung der kristallstruktur von NaNbO3
 N. Bestimmung der absoluten konfiguration und des zwillingsgesetzes
 Note T = 84 K
 Note: this is a polymorph of lueshite

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formula: Ag3 P O4
compound: <missing>
formula_title: Ag3PO4
a: 6.026
b: 6.026
c: 6.026
alpha: 90
beta: 90
gamma: 90
cell_volume: 218.820
crystal_density: 6.353
atoms_sites: ["Ag1", "P1", "O1"]
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pub_title:
 Affinement de la structure cristalline du monophosphate d'argent
 Ag3PO4. Existence d'une forme haute temperature
 _cod_database_code 1007043

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formula: Zn.85 Fe2.15 Cu8 Sn2 S12
compound: Konjo mine, Japan
pub_title: The superstructure of stannoidite
formula_title: <missing>
a: 10.767
b: 5.411
c: 16.118
alpha: 90
beta: 90
gamma: 90
cell_volume: 939.038
crystal_density: 4.620
atoms_sites: ["Zn1", "Fe1", "Cu2", "Cu3", "Cu4", "Fe5", "Sn6", "Cu7", "S1", "S2", "S3"]
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formula: Cu K2 Cl2 S O4
compound: 1906 eruption of Vesuvius, Italy
pub_title: The crystal structure of chlorotionite, CuK2Cl2SO4
formula_title: <missing>
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b: 6.078
c: 16.292
alpha: 90
beta: 90
gamma: 90
cell_volume: 765.644
crystal_density: 2.678
atoms_sites: ["Cu", "K1", "K2", "Cl1", "Cl2", "S", "O1", "O2", "O3"]
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formula: Tl1.4 As3.75 S6.33
compound: Synthetic
pub_title: Die kristallstruktur von imhofit, Tl5.6As15S25.3
formula_title: <missing>
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b: 24.425
c: 5.739
alpha: 90
beta: 108.28
gamma: 90
cell_volume: 1165.300
crystal_density: 4.389
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formula: Fe2 S3 O12
compound: <missing>
pub_title: The crystal structure of rhombohedral Fe2(SO4)3 Sample: synthetic
formula_title: <missing>
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b: 8.2362
c: 22.1786
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beta: 90
gamma: 120
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formula: Tl Hg As S3
compound: Synthetic
pub_title: The crystal structure of synthetic christite, HgTlAsS3
formula_title: <missing>
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b: 16.188
c: 6.111
alpha: 90
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gamma: 90
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formula: Ca Zn Si O5 H2
compound: <missing>
pub_title: Redetermination of the crystal structure of clinohedrite, CaZnSiO4*H2O
formula_title: <missing>
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b: 15.829
c: 5.386
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beta: 103.26
gamma: 90
cell_volume: 422.379
crystal_density: 3.390
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formula: Ca Mn2 Be3 Si3 O12
compound: Langban, Varmland, Sweden
formula_title: <missing>
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b: 7.613
c: 14.065
alpha: 90
beta: 90.0
gamma: 90
cell_volume: 867.108
crystal_density: 3.472
atoms_occupancy: 0
pub_title:
 Die Bestimmung der kristallstruktur von trimerit CaMn2(BeSiO4)3
 und das trimeritgesetz der verzwillingung

atoms_sites:
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formula: Ca Na1.64 K.36 C2 O3
compound: Oldoinyo Lengai, Tanzania
formula_title: <missing>
a: 5.044
b: 8.809
c: 12.743
alpha: 90
beta: 90
gamma: 90
cell_volume: 566.205
crystal_density: 1.922
atoms_sites: ["Ca", "Na1", "K1", "Na2", "C1", "C2", "O1", "O2"]
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pub_title:
 Nyerereite: A new volcanic carbonate mineral from Oldoinyo Lengai, Tanzania
 Note: low-temperature polymorph that inverted from the high-temperature polymorph
 Note: only half of the O atoms have been located

qdat:
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compound: Oldoinyo Lengai, Tanzania
formula_title: <missing>
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b: 5.05
c: 12.85
alpha: 90
beta: 90
gamma: 120
cell_volume: 283.803
crystal_density: 2.479
atoms_sites: ["Ca", "Na", "K", "Na", "C", "C", "O", "O"]
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pub_title:
 Nyerereite: A new volcanic carbonate mineral from Oldoinyo Lengai, Tanzania
 Note: high-temperature polymorph with an structure that has been inferred

qdat:
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formula: Na1.12 Ca K.74 Mg.04 (Si14.64 Al3.36) O47.38 H22.76
compound: Kuruma Pass, Fukushima Prefecture, Japan
formula_title: <missing>
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b: 17.963
c: 7.400
alpha: 90
beta: 116.47
gamma: 90
cell_volume: 2101.385
crystal_density: 2.179
pub_title:
 Clinoptilolite: The distribution of potassium atoms
 and its role in thermal stability
 Note: z(Wat7) corrected

atoms_sites:
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formula: Na.92 Ca.62 K.88 Mg.1 (Si14.92 Al3.08) O46.66 H21.32
compound: Agoura, California, USA
formula_title: <missing>
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b: 17.911
c: 7.407
alpha: 90
beta: 116.40
gamma: 90
cell_volume: 2098.797
crystal_density: 2.141
pub_title:
 Clinoptilolite: The distribution of potassium atoms
 and its role in thermal stability
 Note: z(O3) corrected

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formula: Cu3 As
compound: Mohawk No. 2 mine, Keweenaw County, Michigan, USA
pub_title: Refinement of the crystal structure of alpha domeykite, a structure related to the A15 type
formula_title: <missing>
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formula: Cu2 O5 C H2
compound: <missing>
pub_title: Verfeinerung der Struktur von Malachit, Cu2(OH)2CO3, durch Neutronenbeugung
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formula: Ca2 (Al2 Si) O8 H2
compound: Synthetic
pub_title: The crystal structure of bicchulite, Ca2[Al2SiO6](OH)2
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formula: K.967 (Mg2.034 Li.966) Si4 O10 F2
compound: Synthetic
pub_title: The crystal structure of taeniolite, KLiMg2Si4O10F2 Note: this is the 1M polytype
formula_title: <missing>
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formula: Zn2 Si O5 H2
compound: <missing>
pub_title: A neutron-diffraction study of hemimorphite
formula_title: <missing>
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formula: Cu2.4 Zn2.6 S2 O20 H18
compound: Miniera Trentin, Vicenza, Italy
pub_title: Ktenasite, another mineral with 2[(Cu,Zn)2(OH)3O]- octahedral sheets
formula_title: <missing>
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formula: Na2 Li Fe Si6 O15
compound: Igdlutalik Island, Julianchab District, Greenland
pub_title: The crystal structure of emeleusite, a novel example of sechser-doppelkette
formula_title: <missing>
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beta: 90
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formula: Na2 Cu C2 O9 H2
compound: Synthetic
pub_title: Structure cristalline de la chalconatronite synthetique: Na2Cu(CO3)2*3H2O
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formula: Ag8.012 Ge Te6
compound: <missing>
formula_title: Ag8GeTe6
a: 11.58
b: 11.58
c: 11.58
alpha: 90
beta: 90
gamma: 90
cell_volume: 1552.836
crystal_density: 7.282
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pub_title:
 The crystal structure of gamma Ag8GeTe6, a potential mixed electronic-
 ionic conductor
 Note: model with Ag distributed only over tetrahedral sites, R = 9.7%

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compound: <missing>
formula_title: Ag8GeTe6
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b: 11.58
c: 11.58
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beta: 90
gamma: 90
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pub_title:
 The crystal structure of gamma Ag8GeTe6, a potential mixed electronic-
 ionic conductor
 Note: proposed model, R = 8.0%

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formula: Pb Ge3 O7
compound: <missing>
formula_title: PbGe3O7
a: 5.270
b: 14.097
c: 16.059
alpha: 90
beta: 90
gamma: 90
cell_volume: 1193.042
crystal_density: 5.980
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pub_title:
 Die kristallstruktur von PbGe3O7 mit Ge4+ in trigonal-dipyramidaler
 neben tetraedrischer koordination

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formula: Pb3 Ge O5
compound: <missing>
pub_title: Die kristallstruktur der ferroischen verbindung Pb3[O|GeO4]
formula_title: Pb3GeO5
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formula: Cu4 S O11 H8
compound: Fowey Consols, England
pub_title: Posnjakite: [Cu4(OH)6(H2O)O] octahedral sheets in its structure
formula_title: <missing>
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formula: Bi2 Ge3 O9
compound: <missing>
pub_title: Crystal growth, structure, and physical properties of Bi2Ge3O9
formula_title: Bi2Ge3O9
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b: 7.006
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formula: Sc Al O3
compound: <missing>
pub_title: Crystal synthesis and structure refinement of high-pressure ScAlO3 perovskite
formula_title: ScAlO3
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b: 5.2313
c: 7.2007
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gamma: 90
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formula: Si O2
compound: <missing>
formula_title: <missing>
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b: 12.334
c: 7.112
alpha: 90
beta: 120.30
gamma: 90
cell_volume: 541.365
crystal_density: 2.949
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pub_title:
 A new phase of coesite SiO2
 Note: this is a synthetic, twinned crystal of a typical coesite,
 it is not really a new phase

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formula: Ag Cl O4
compound: <missing>
pub_title: Verfeinrung der kristallstruktur des silberperchlorats AgClO4
formula_title: AgClO4
a: 4.976
b: 4.976
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beta: 90
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cell_volume: 167.035
crystal_density: 4.122
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formula: Ca Al2 Si O8 H4
compound: rodingitic dykes in a ophiolitic zone in the Taurus Mountains,
pub_title: The crystal structure of chantalite, CaAl2(OH)4SiO4 southwest Turkey
formula_title: <missing>
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formula: Tl8 Pb4 Sb21 As19 S68
compound: Jas Roux, France
pub_title: The crystal structure of a thallium sulfosalt, Tl8Pb4Sb21As19S68
formula_title: <missing>
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b: 21.3180
c: 8.543
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formula: Li2 C O3
compound: <missing>
pub_title: Verfeinerung der kristallstruktur des lithiumkarbonates, Li2CO3
formula_title: <missing>
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formula: (Co.8 Fe.11 Ni.09) S2
compound: Shinkolobwe Mine, Katanga, Zaire
pub_title: Crystal-structure refinement of cattierite Note: pyrite structure
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formula: Na3 Sb S4 O9 D18
compound: <missing>
formula_title: Na3SbS4*9H2O
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b: 11.878
c: 11.878
alpha: 90
beta: 90
gamma: 90
cell_volume: 1675.830
crystal_density: 1.979
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pub_title:
 Hydrogen bonds in Schlippe's salt, Na3SbS4*9H2O and Na3SbS4*9D2O:
 Diffraction and spectroscopic studies in the temperature range of
 75K to 295 K
 Note: sample at T = 105 K

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formula: Ca3 Mn2 Si4 O14
compound: <missing>
pub_title: Crystal structure of synthetic Ca3Mn2O2[Si4O12] Note: stable only at P greater than 1.3 GPa
formula_title: Ca3Mn2Si4O14
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formula: Cu2 S
compound: Bristol Connecticut, USA
pub_title: The crystal structures of low chalocite and djurleite
formula_title: <missing>
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formula: Cu31 S16
compound: Ozark Lead Co. mine at Sweetwater, Missouri, USA
pub_title: The crystal structures of low chalocite and djurleite
formula_title: <missing>
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b: 15.745
c: 13.565
alpha: 90
beta: 90.13
gamma: 90
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crystal_density: 5.742
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atoms_u_iso: 0
atoms_sites:
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formula: K2 Ca5 S6 O25 H2
compound: Astakos, Greece
pub_title: The crystal structure of goergeyite K2SO4*5CaSO4*H2O
formula_title: <missing>
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formula: Al8.05 Fe1.05 Mg3.15 Si1.75 O20
compound: Wilson Lake, Labrador, Canada
pub_title: Crystal structure of sapphirine-1Tc Note: polytype sapphirine-1Tc
formula_title: <missing>
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b: 10.34
c: 8.62
alpha: 107.4
beta: 95.2
gamma: 123.8
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formula: Cu9 Al As2 S1.5 O44 H48
compound: Cornwall, England
pub_title: The crystal structure of chalcophyllite
formula_title: <missing>
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b: 10.756
c: 28.6780
alpha: 90
beta: 90
gamma: 120
cell_volume: 2873.300
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formula: Pb7 Sb8 S19
compound: <missing>
pub_title: Die kristallstruktur von heteromorphit, Pb7Sb8S19
formula_title: <missing>
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formula: Tl Sb5 S8
compound: Synthetic
pub_title: Die kristallstruktur von synthetischem parapierrotit, TlSb5S8
formula_title: <missing>
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b: 19.415
c: 9.059
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formula: Tl3 As S3
compound: Synthetic
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pub_title:
 Die kristallstruktur von synthetischem ellisit, Tl3AsS3
 Note: anisob's corrected to match reported Biso's

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formula: Pb4 Zn2 S Si3 O15
compound: Tsumeb mine, Namibia
pub_title: Die kristallstruktur von queitit, Pb4Zn2[SO4|SiO4|Si2O7]
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formula: Y (Nb Ti) O6
compound: <missing>
pub_title: Kristallstrukturverfeinerungen von euxenit, Y(Nb0.5Ti0.5)2O6, und M-fergusonit, YNbO4
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formula: Y Nb O4
compound: <missing>
pub_title: Kristallstrukturverfeinerungen von euxenit, Y(Nb0.5Ti0.5)2O6, und M-fergusonit, YNbO4
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formula: Na21 Zn S10 O40 Cl3
compound: <missing>
pub_title: Strukturverfeinerung und zwillingsgesetz am Zn-d'ansit
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compound: <missing>
formula_title: <missing>
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alpha: 90
beta: 90
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pub_title:
 Strukturverfeinerung von harnstoff mit neutronenbeugungsdaten bei
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 Sample: T = 100 K

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pub_title:
 Strukturverfeinerung von harnstoff mit neutronenbeugungsdaten bei
 60, 123, 293 K und X-N- und X-X (1s2)-synthesen bei etwa 100 K
 Sample: T = 293 K

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pub_title:
 Strukturverfeinerung von harnstoff mit neutronenbeugungsdaten bei
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 Sample: T = 123 K

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pub_title:
 Strukturverfeinerung von harnstoff mit neutronenbeugungsdaten bei
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 Sample: T = 60 K

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formula: Mg3 P2 O30 H44
compound: Synthetic
pub_title: A case of polytypism in hydrated oxysalts: the crystal structure of Mg3(PO4)2*22H2O-II
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formula: As2 Ca2.5 O10.5 H5
compound: Sainte-Marie-aux-Mines (Alsace), France
formula_title: Ca5H2(AsO4)4*5H2O
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b: 6.673
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beta: 111.10
gamma: 99.74
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pub_title:
 Mechanism of the reaction Ca5H2(AsO4)4*9H2O (ferrarisite) ->
 Ca5H2(AsO4)4*5H2O) (dimorph of vladimirite), and structure of the latter phase
 Note: formed by dehydrating ferrarisite at 60 C

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formula: Sn S
compound: Synthetic
formula_title: <missing>
a: 4.148
b: 11.480
c: 4.177
alpha: 90
beta: 90
gamma: 90
cell_volume: 198.905
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pub_title:
 The high temperature structure of beta-SnS and beta-SnSe
 and the B16-to-B33 type gamma-transition path
 Sample: T = 905 K

qdat:
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formula: Sn Se
compound: <missing>
formula_title: SnSe
a: 4.310
b: 11.705
c: 4.318
alpha: 90
beta: 90
gamma: 90
cell_volume: 217.837
crystal_density: 6.027
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pub_title:
 The high temperature structure of beta-SnS and beta-SnSe
 and the B16-to-B33 type gamma-transition path
 Sample: T = 825 K

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formula: Si4 Mg3 O12 H2
compound: <missing>
pub_title: Strukturverfeinerung am talk Mg3[(OH)2Si4O10]
formula_title: <missing>
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b: 9.173
c: 9.460
alpha: 90.46
beta: 98.68
gamma: 90.09
cell_volume: 453.774
crystal_density: 2.776
atoms_sites: ["Si1", "Si2", "Mg1", "Mg2", "O1", "O2", "O3", "O4", "O5", "O6", "H"]
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formula: Na.73 K.35 Ca1.9 Fe1.654 Mg3.136 Ti.315 (Si5.94 Al2.06) O24 H2
compound: Untertiefenbach, Austria
pub_title: Verfeinerung der kristallstruktur eines basaltischen magnesio-hastingsites
formula_title: <missing>
a: 9.880
b: 18.0120
c: 5.324
alpha: 90
beta: 105.26
gamma: 90
cell_volume: 914.045
crystal_density: 3.265
atoms_u_iso: 0
atoms_sites:
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formula: N H30 C Al S2 Os8 O12
compound: <missing>
formula_title: (NH3CH3)Al(SO4)2*12H2O
a: 12.314
b: 12.314
c: 12.314
alpha: 90
beta: 90
gamma: 90
cell_volume: 1867.228
crystal_density: 6.620
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pub_title:
 X-ray and neutron diffraction study of alums
 II. The crystal structure of methylammonium aluminium alum
 III. The crystal structure of ammonium aluminium alum
 Sample: neutron data

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formula: N C Al S2 Os8 (O12 H24)
compound: <missing>
formula_title: (NH3CH3)Al(SO4)2*12H2O
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b: 12.322
c: 12.322
alpha: 90
beta: 90
gamma: 90
cell_volume: 1870.870
crystal_density: 6.586
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pub_title:
 X-ray and neutron diffraction study of alums
 II. The crystal structure of methylammonium aluminium alum
 III. The crystal structure of ammonium aluminium alum
 Sample: X-ray data

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formula: N Al S2 Os8 (O12 H24)
compound: Synthetic
formula_title: <missing>
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b: 12.242
c: 12.242
alpha: 90
beta: 90
gamma: 90
cell_volume: 1834.667
crystal_density: 6.672
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pub_title:
 X-ray and neutron diffraction study of alums
 II. The crystal structure of methylammonium aluminium alum
 III. The crystal structure of ammonium aluminium alum
 Sample: X-ray data

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compound: <missing>
formula_title: <missing>
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gamma: 90
cell_volume: 1837.365
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pub_title:
 X-ray and neutron diffraction study of alums:
 II. The crystal structure of methylammonium aluminium alum
 III. The crystal structure of ammonium aluminium alum
 Note: Neutron data

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formula: K2 Ca C2 O6
compound: Synthetic
formula_title: <missing>
a: 5.294
b: 5.294
c: 13.355
alpha: 90
beta: 90
gamma: 120
cell_volume: 324.147
crystal_density: 2.441
atoms_sites: ["KMe1", "CaMe2", "C1", "C2", "O1", "O2", "O3"]
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pub_title:
 Structural investigations of synthetic fairchildite, K2Ca(CO3)2
 Note: y(O1) changed to satisfy symmetry constraints

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formula: Ca2 Zn4 As4 O17 H2
compound: Tsumeb, Nambia
pub_title: Die kristallstruktur von prosperit, Ca2Zn4[H2O|(AsO4)4]
formula_title: <missing>
a: 19.2380
b: 7.731
c: 9.765
alpha: 90
beta: 104.47
gamma: 90
cell_volume: 1406.268
crystal_density: 4.324
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formula: Pb8 Cl6 As4 O11
compound: Tsumeb mine, Tsumeb, Namibia
pub_title: Polytypie und struktur von gebhardit - Pb8OCl6(As2O5)2
formula_title: <missing>
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b: 11.20
c: 34.19
alpha: 90
beta: 85.2
gamma: 90
cell_volume: 2565.778
crystal_density: 6.073
atoms_occupancy: 0
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atoms_aniso_label: "<missing>"
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atoms_sites:
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formula: Na Si2 O7 H5
compound: <missing>
pub_title: Crystal structure of synthetic makatite Na2Si4O8(OH)2(H2O)4
formula_title: <missing>
a: 7.3881
b: 18.094
c: 9.5234
alpha: 90
beta: 90.64
gamma: 90
cell_volume: 1273.011
crystal_density: 2.047
atoms_occupancy: 0
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formula: Tl5 Sb4.45 As8.55 S22
compound: Allchar, Macedonia, Yugoslavia
pub_title: The crystal structure of rebulite, Tl5Sb5As8S22
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formula: Li Al Si4 O10
compound: Varutrask, Sweden
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pub_title:
 Kristallographische untersuchungen eines petalits mittels neutronenbeugung und
 transmissionselektronenmikroskopie

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formula: Tl Hg As3 S6
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pub_title: The crystal structure of simonite, TlHgAs3S6
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pub_title: Kristallstruktur der calcium-vanadium-bronze CaxV4+2xV5+(2-2x)O5 Note: z(Ca1) and z(O5) corrected
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formula: Ca C O9 H12
compound: Bransfield Strait, Antarctica
pub_title: Refinement of the structure of ikaite, CaCO3*6(H2O)
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formula: (Zr.33 Ti.67) O2
compound: Rakwana, Sri Lanka
pub_title: (Zr0.33Ti0.67)O2 - ein naturliches zirkonium-titanoxid mit alpha-PbO2-struktur
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gamma: 90
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pub_title:
 Re-examination of "P2_1/a coesite"
 Note: z(O7), z(O8) corrected
 Note: This is not the structure of coesite, it is a model for a twin

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pub_title:
 Studies on clathrasils. III. Crystal structure of
 melanophlogite, a natural clathrate compound of silica

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formula: Pb Na4 P6 O18
compound: <missing>
formula_title: Na4 O18 P6 Pb
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pub_title:
 Crystal structure of lead-tetrasodium trimetaphosphate: PbNa4(P3O9)2,
 Crystal data for Ba Na4 (P3 O9)2
 _cod_database_code 1007084

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formula: Tl Sb3 As2 S8
compound: Jas-Roux, Hutes-Alps, France
pub_title: The crystal structure of pierrotite, Tl2(Sb,As)10S16
formula_title: <missing>
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c: 7.989
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formula: Al6 B5 F3 O15
compound: Cape Cross, Namibia
pub_title: Crystal structure refinement of jeremejevite (Al6B5F3O15)
formula_title: <missing>
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b: 8.556
c: 8.175
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gamma: 120
cell_volume: 518.275
crystal_density: 3.287
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formula: Pb Tl As3 S6
compound: Synthetic
pub_title: Crystal structure of synthetic PbTlAs3S6
formula_title: <missing>
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b: 15.476
c: 5.847
alpha: 90
beta: 90
gamma: 90
cell_volume: 4293.935
crystal_density: 5.128
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formula: Cu Al O2
compound: Synthetic
pub_title: Synthesis and crystal structure of 2H-CuAlO2
formula_title: <missing>
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b: 2.858
c: 11.293
alpha: 90
beta: 90
gamma: 120
cell_volume: 79.885
crystal_density: 5.094
atoms_sites: ["Cu", "Al", "O"]
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formula: Ca Be As O5 H
compound: <missing>
pub_title: Bergslagite, a mineral with tetrahedral berylloarsenate sheet anions Note: anisoB's from ICSD
formula_title: <missing>
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b: 7.809
c: 10.127
alpha: 90
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crystal_density: 3.527
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formula: Mg3 B2 O6
compound: Synthetic
formula_title: <missing>
a: 5.398
b: 8.416
c: 4.497
alpha: 90
beta: 90
gamma: 90
cell_volume: 204.297
crystal_density: 3.097
atoms_sites: ["MgM1", "MgM2", "B", "O1", "O2"]
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pub_title:
 Verfeinerung der kristallstrukturen der isotypen verbindungen
 M3(BO3)2 mit M=Mg, Co und Ni (strukturtyp: kotoit)

qdat:
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formula: Mn3 B2 O6
compound: Synthetic
formula_title: <missing>
a: 5.658
b: 8.740
c: 4.646
alpha: 90
beta: 90
gamma: 90
cell_volume: 229.749
crystal_density: 4.083
atoms_sites: ["MnM1", "MnM2", "B", "O1", "O2"]
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pub_title:
 Verfeinerung der kristallstrukturen der isotypen verbindungen
 M3(BO3)2 mit M=Mg, Co und Ni (strukturtyp: kotoit)

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formula: Ni3 B2 O6
compound: <missing>
formula_title: Ni3(BO3)2
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b: 8.297
c: 4.459
alpha: 90
beta: 90
gamma: 90
cell_volume: 199.632
crystal_density: 4.886
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formula: Sb2 Mo O6
compound: <missing>
formula_title: Sb2MoO6
a: 7.4774
b: 7.5017
c: 10.1259
alpha: 70.374
beta: 70.889
gamma: 83.246
cell_volume: 505.492
crystal_density: 5.722
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pub_title:
 Crystal structure of Sb2MoO6
 Note: neutron diffraction refinement
 Note: y-coordinate for O9 changed to match magnitude in the X-ray refinement
 as well as the reported bond lengths
 Note: synthetic polymorph of biehlite

atoms_sites:
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formula: Sb2 Mo O6
compound: <missing>
formula_title: Sb2MoO6
a: 7.481
b: 7.504
c: 10.120
alpha: 70.43
beta: 70.91
gamma: 83.35
cell_volume: 505.842
crystal_density: 5.718
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pub_title:
 Crystal structure of Sb2MoO6
 Note: X-ray single crystal refinement
 Note: synthetic polymorph of biehlite

atoms_sites:
["Sb1", "Sb2", "Sb3", "Sb4", "Mo1", "Mo2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12"]

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formula: Ca Si O3
compound: <missing>
pub_title: Refinement of the crystal structure of wollastonite-2M (parawollastonite)
formula_title: <missing>
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b: 7.322
c: 7.063
alpha: 90
beta: 95.30
gamma: 90
cell_volume: 793.474
crystal_density: 2.917
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formula: Mg7.4 (Al1.14 Fe.86) Ca.6 S2 O38 H42
compound: Langban, Warmland, Sweden
formula_title: <missing>
a: 9.303
b: 9.303
c: 22.570
alpha: 90
beta: 90
gamma: 120
cell_volume: 1691.641
crystal_density: 1.958
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pub_title:
 The superstructure of the double layer mineral wermlandite
 [Mg7(Al0.57,Fe3+0.43)2(OH)18]2+[(Ca0.6,Mg0.4)(SO4)2(H2O)12]2-

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compound: Synthetic
formula_title: <missing>
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b: 7.135
c: 25.586
alpha: 90
beta: 90
gamma: 120
cell_volume: 1128.031
crystal_density: 3.022
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pub_title:
 The rhombohedral structure of tricalcium silicate at 1200 C
 Sample: T = 1200 C
 Note: cannot reconcile reported structure with reported bond lengths

atoms_sites:
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formula: Ca2 Al4 Si4 O21 H10
compound: Taurus mountains, Southwest Turkey
pub_title: The crystal structure of partheite
formula_title: <missing>
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c: 9.304
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formula: Au Te2
compound: Cripple Creek, Colorado, USA
pub_title: Kristallchemie naturlicher telluride III: Die kristallstruktur des minerals calaverit, AuTe2
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compound: <missing>
pub_title: The Cu2Sb and related structures
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compound: <missing>
pub_title: The Cu2Sb and related structures
formula_title: MnAlGe
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formula: Cu As Mg
compound: <missing>
pub_title: The Cu2Sb and related structures
formula_title: CuMgAs
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c: 6.238
alpha: 90
beta: 90
gamma: 90
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formula: Mn2 Sb
compound: <missing>
pub_title: The Cu2Sb and related structures
formula_title: Mn2Sb
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formula: Mg Na As
compound: <missing>
pub_title: The Cu2Sb and related structures
formula_title: MgNaAs
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formula: Fe Li P
compound: <missing>
pub_title: The Cu2Sb and related structures
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formula: Mg Na Sb
compound: <missing>
pub_title: The Cu2Sb and related structures
formula_title: MgNaSb
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formula: Mn2 As
compound: <missing>
pub_title: The Cu2Sb and related structures
formula_title: Mn2As
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compound: <missing>
pub_title: The Cu2Sb and related structures
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compound: <missing>
pub_title: The Cu2Sb and related structures
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pub_title: The Cu2Sb and related structures
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alpha: 90
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formula: Mg Ba Ge
compound: <missing>
pub_title: The Cu2Sb and related structures
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formula: Mg Ba Si
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pub_title: The Cu2Sb and related structures
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pub_title: The Cu2Sb and related structures
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pub_title: The Cu2Sb and related structures
formula_title: MnKP
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pub_title: The Cu2Sb and related structures
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pub_title: The Cu2Sb and related structures
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pub_title: The Cu2Sb and related structures
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pub_title: The Cu2Sb and related structures
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pub_title: The Cu2Sb and related structures
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pub_title: The Cu2Sb and related structures
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pub_title: The Cu2Sb and related structures
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pub_title: The Cu2Sb and related structures
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pub_title: The Cu2Sb and related structures
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pub_title: The Cu2Sb and related structures
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pub_title: The Cu2Sb and related structures
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pub_title: The Cu2Sb and related structures
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pub_title: The Cu2Sb and related structures
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pub_title: The Cu2Sb and related structures
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pub_title: The Cu2Sb and related structures
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pub_title: The Cu2Sb and related structures
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pub_title: The Cu2Sb and related structures
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formula: Mn Sr Ge
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pub_title: The Cu2Sb and related structures
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formula: Mn Ca Ge
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pub_title: The Cu2Sb and related structures
formula_title: MnCaGe
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formula: Mn Ba Ge
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pub_title: The Cu2Sb and related structures
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formula: Sb2 U
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pub_title: The Cu2Sb and related structures
formula_title: USb2
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formula: (La.08 Nd.59 Pb.33) C O4 H1.33
compound: Shinkolobwe, Shaba - Zaire
pub_title: Structure refinement of gysinite La.16Nd1.18Pb0.66(CO3)2(OH)1.34(H2O).66
formula_title: <missing>
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compound: Vena ore deposit, Sweden
formula_title: <missing>
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c: 4.088
alpha: 90
beta: 90
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pub_title:
 The crystal structure of jaskolskiite, Cux Pb2+x (Sb,Bi)2-x S5 (x~0.2),
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formula: Ba Mg C2 O6
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formula_title: <missing>
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beta: 90
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pub_title:
 Single crystal X-Ray investigation of norsethite, BaMg(CO3)2:
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 Sample: Model 1

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pub_title:
 Single crystal X-Ray investigation of norsethite, BaMg(CO3)2:
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 Sample: Model 2

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pub_title:
 Single crystal X-Ray investigation of norsethite, BaMg(CO3)2:
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 Sample: Model 3

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formula: Na1.3 K1.125 (Al3 Si5) O21.325 Ca.3 H10.65
compound: County Antrim, Northern Ireland
pub_title: Rietveld refinement of the crystal structure of the new zeolite mineral gobbinsite
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formula: Mg2 Si O4
compound: <missing>
pub_title: The crystal structure of forsterite Mg2SiO4 under high pressure up to 149 kb Sample: P = 31 kbar
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formula: Mg2 Si O4
compound: <missing>
pub_title: The crystal structure of forsterite Mg2SiO4 under high pressure up to 149 kb Sample: P = 47 kbar
formula_title: <missing>
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alpha: 90
beta: 90
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formula: Mg2 Si O4
compound: <missing>
pub_title: The crystal structure of forsterite Mg2SiO4 under high pressure up to 149 kb Sample: P = 53 kbar
formula_title: <missing>
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alpha: 90
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formula: Mg2 Si O4
compound: <missing>
pub_title: The crystal structure of forsterite Mg2SiO4 under high pressure up to 149 kb Sample: P = 111 kbar
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formula: Mg2 Si O4
compound: <missing>
pub_title: The crystal structure of forsterite Mg2SiO4 under high pressure up to 149 kb Sample: P = 149 kbar
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formula: Al2.5 Ge.486 Pb.083 Nd.029 O4.855
compound: <missing>
pub_title: A Pb/Nd-stabilized mullite of the composition Al5.03Ge0.97Pb0.15Nd0.06O9.71
formula_title: Al5.03Ge.97Pb.15Nd.06O9.71
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formula: Li (Al Si) O4
compound: Synthetic
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formula: Li (Al Si) O4
compound: Zimbabwae
pub_title: Crystal structures of natural and synthetic alpha-eucryptite, LiAlSiO4
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formula: Ca27 Si9 O45
compound: Synthetic
pub_title: Tricalcium silicate Ca3O[SiO4]: The monoclinic superstructure
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formula: Al S O10 H11
compound: Cetine mine, Tuscany, Italy
pub_title: Refinement of the crystal structure of jurbanite, Al(SO4)(OH)*5H2O
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formula: Cu S
compound: Kosaka mine, Akita Prefecture, Japan
pub_title: The crystal structure of covellite CuS under high pressure up to 33 kbar Sample: P = 1 kbar
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formula: Cu S
compound: Kosaka mine, Akita Prefecture, Japan
pub_title: The crystal structure of covellite CuS under high pressure up to 33 kbar Sample: P = 12 kbar
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formula: Cu S
compound: Kosaka mine, Akita Prefecture, Japan
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formula: Cu S
compound: Kosaka mine, Akita Prefecture, Japan
pub_title: The crystal structure of covellite CuS under high pressure up to 33 kbar Sample: P = 21 kbar
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crystal_density: 4.813
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formula: Cu S
compound: Kosaka mine, Akita Prefecture, Japan
pub_title: The crystal structure of covellite CuS under high pressure up to 33 kbar Sample: P = 33 kbar
formula_title: <missing>
a: 3.729
b: 3.729
c: 16.11
alpha: 90
beta: 90
gamma: 120
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crystal_density: 4.910
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formula: As2 Se3
compound: Synthetic
pub_title: The crystal structure of arsenic selenide, As2Se3
formula_title: <missing>
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gamma: 90
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formula: Ca B2 Si2 O8
compound: Toroku mine, Miyazaki Prefecture, Japan
formula_title: <missing>
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b: 8.757
c: 7.7218
alpha: 90
beta: 90
gamma: 90
cell_volume: 543.460
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pub_title:
 Unusual thermal expansion of a B-O bond in the structure of danburite CaB2Si2O8
 Note: AnisoB's from ICSD
 Sample: T = 25 C

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formula: Ca B2 Si2 O8
compound: Toroku mine, Miyazaki Prefecture, Japan
formula_title: <missing>
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pub_title:
 Unusual thermal expansion of a B-O-bond in the structure of danburite CaB2Si2O8
 Note: AnisoB's from ICSD
 Sample: T = 208 C

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formula: Ca B2 Si2 O8
compound: Toroku mine, Miyazaki Prefecture, Japan
formula_title: <missing>
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pub_title:
 Unusual thermal expansion of a B-O-bond in the structure of danburite CaB2Si2O8
 Note: AnisoB's from ICSD
 Sample: T = 407 C

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compound: Toroku mine, Miyazaki Prefecture, Japan
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pub_title:
 Unusual thermal expansion of a B-O-bond in the structure of danburite CaB2Si2O8
 Note: AnisoB's from ICSD
 Sample: T = 618 C

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formula: Ca B2 Si2 O8
compound: Toroku mine, Miyazaki Prefecture, Japan
formula_title: <missing>
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pub_title:
 Unusual thermal expansion of a B-O-bond in the structure of danburite CaB2Si2O8
 Note: AnisoB's from ICSD
 Note: x(B) corrected to match reported bond lengths
 Sample: T = 817 C

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formula: Ca B2 Si2 O8
compound: Toroku mine, Miyazaki Prefecture, Japan
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pub_title:
 Unusual thermal expansion of a B-O-bond in the structure of danburite CaB2Si2O8
 Note: AnisoB's from ICSD
 Sample: T = 910 C

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formula: Mn4 Be3 Si3 O12 S
compound: Schwarzenberg, Saxony
pub_title: The effect of pressure on helvite Mn8S2[Be6Si6O24] Sample: P = 14 kbar
formula_title: <missing>
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formula: Mn4 Be3 Si3 O12 S
compound: Schwarzenberg, Saxony
pub_title: The effect of pressure on helvite Mn8S2[Be6Si6O24] Sample: P = 27 kbar
formula_title: <missing>
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alpha: 90
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gamma: 90
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formula: Mn4 Be3 Si3 O12 S
compound: Schwarzenberg, Saxony
pub_title: The effect of pressure on helvite Mn8S2[Be6Si6O24] Sample: P = 36 kbar
formula_title: <missing>
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alpha: 90
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formula: Mn4 Be3 Si3 O12 S
compound: Schwarzenberg, Saxony
pub_title: The effect of pressure on helvite Mn8S2[Be6Si6O24] Sample: P = 40 kbar
formula_title: <missing>
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alpha: 90
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gamma: 90
cell_volume: 551.973
crystal_density: 3.340
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formula: Mn4 Be3 Si3 O12 S
compound: Schwarzenberg, Saxony
pub_title: The effect of pressure on helvite Mn8S2[Be6Si6O24] Sample: P = 45 kbar
formula_title: <missing>
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alpha: 90
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cell_volume: 549.353
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formula: Ba1.5 P3 O11
compound: <missing>
formula_title: Ba3(PO9)3(H2O)4
a: 16.09
b: 8.368
c: 7.717
alpha: 90
beta: 95.38
gamma: 90
cell_volume: 1034.448
crystal_density: 3.049
atoms_sites: ["Ba1", "Ba2", "P1", "P2", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
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pub_title:
 Crystal structure of barium cyclotriphosphate tetrahydrate, Ba3(PO9)3(H2O)4
 _cod_database_code 1007162

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formula: Ca Al2 Si6 O20.038 H7.909
compound: Hvalfjordur, Iceland
pub_title: Neutron diffraction study of the zeolite yugawaralite at 13 K Sample: T = 13 K
formula_title: <missing>
a: 6.700
b: 13.972
c: 10.039
alpha: 90
beta: 111.07
gamma: 90
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crystal_density: 2.239
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formula: Si O2
compound: Synthetic
formula_title: <missing>
a: 20.108
b: 19.918
c: 13.392
alpha: 90
beta: 90
gamma: 90
cell_volume: 5363.645
crystal_density: 1.786
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pub_title:
 A study of decomposition methods for refinement of H+-ZSM5 zeolite
 with powder diffraction data
 Note: dehydrated mutinaite

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formula: Mg2 P O5 H
compound: Synthetic
pub_title: The crystal structure of beta-Mg2PO4OH, a synthetic hydroxyl analogue of wagnerite
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formula: Ca6 Mn Be4 Si6 O24 H2
compound: Harstigen mine, Sweden
pub_title: Crystal structure of harstigite, MnCa6Be4[SiO4]2[Si2O7]2(OH)2
formula_title: <missing>
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b: 13.636
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formula: U2 Mg P2 O22 H20
compound: Ranger I Mine, Northern Territory, Australia
pub_title: The crystal structure of saleeite, Mg[UO2PO4]2*10H2O
formula_title: <missing>
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formula: K.82 Mg (Si15.72 Al2.28) O47.56 H23.12
compound: Monastir, Sardinia, Italy
pub_title: Statistical and true symmetry of ferrierite: possible absence of straight T-O-T bridging bonds
formula_title: <missing>
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b: 14.145
c: 7.499
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formula: Ca2 Cu5 Sb As4 O28 Cl H18
compound: Iba, near Richelsdorf, Hessen, Germany
pub_title: The crystal structure of the new mineral richelsdorfite, Ca2Cu5Sb(Cl/(OH)6/(AsO4)4)*6H2O
formula_title: <missing>
a: 14.079
b: 14.203
c: 13.470
alpha: 90
beta: 101.05
gamma: 90
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crystal_density: 3.319
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formula: (Fe.87 Co.13) (As.91 S1.09)
compound: Hakansboda, Sweden
pub_title: Crystal structure refinement and electron microscopy of arsenopyrite
formula_title: <missing>
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b: 9.451
c: 5.6492
alpha: 90
beta: 90
gamma: 89.84
cell_volume: 349.472
crystal_density: 6.058
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formula: (Fe.87 Co.13) (As.91 S1.09)
compound: Hakansboda, Sweden
formula_title: <missing>
a: 5.741
b: 5.649
c: 5.756
alpha: 90
beta: 110.588
gamma: 90
cell_volume: 174.750
crystal_density: 6.058
atoms_sites: ["Fe", "Co", "As1", "S1", "S2", "As2"]
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pub_title:
 Crystal structure refinement and electron microscopy of arsenopyrite
 Note: structure was transformed to this setting from C2_1/d

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formula: Na Cu2 S2 O10 H3
compound: Synthetic
formula_title: <missing>
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b: 6.187
c: 7.509
alpha: 90
beta: 118.74
gamma: 90
cell_volume: 358.835
crystal_density: 3.491
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pub_title:
 The crystal structure of the natrochalcite-type compounds Me+Cu2(OH)(zO4)2*H2O
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pub_title:
 The crystal structure of the natrochalcite-type compounds (Me+)Cu2(OH)(zO4)2*H2O
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pub_title:
 The crystal structure of the natrochalcite-type compounds (Me+)Cu2(OH)(zO4)2*H2O
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pub_title:
 The crystal structure of the natrochalcite-type compounds (Me+)Cu2(OH)(zO4)2*H2O
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formula: Pb Ag Sb3 S6
compound: Freiberg, Saxony, Germany
pub_title: The crystal structure of senandorite (andorite VI): PbAgSb3S6
formula_title: <missing>
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formula: Nb2 Co P6 O21
compound: <missing>
pub_title: Crystal data and structure of Nb2Co(P2O7)3 and Nb2Mg(P2O7)3 _cod_database_code 1007181
formula_title: Co Nb2 O21 P6
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formula: Mn Fe F5 O2 H4
compound: <missing>
pub_title: Crystal structure refinement of the inverse weberite MnFeF5(H2O)2 _cod_database_code 1000227
formula_title: MnFeF5(H2O)2
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formula: Mg20.58 Mn15.42 B12 O60
compound: Langban mine, Sweden
formula_title: <missing>
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b: 12.561
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pub_title:
 The crystal structure of takeuchiite, Mg1.71Mn1.29BO5:
 A combined single crystal X-ray and HRTEM study

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formula: Na1.8 Al1.8 Si4 O14 H4
compound: Husa u Marcinova, Bohemia, Czech Republic
formula_title: <missing>
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cell_volume: 2558.179
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pub_title:
 The crystal structure of natural monoclinic analcime (NaAlSi2O6*H2O)
 Note: z(H1) adjusted to match reported bond angle

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formula: Cu S
compound: Synthetic
pub_title: Low-temperature structural distortion in CuS Sample: T = 295 K
formula_title: <missing>
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alpha: 90
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gamma: 120
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formula: Cu S
compound: Synthetic
formula_title: <missing>
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b: 3.782
c: 16.29
alpha: 90
beta: 90
gamma: 120
cell_volume: 201.788
crystal_density: 4.721
atoms_sites: ["Cu1", "Cu2", "S1", "S2"]
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pub_title:
 Low-temperature structural distortion in CuS
 Sample: T = 55 K
 Note: Cell parameters estimated from Figure 1

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formula_title: <missing>
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pub_title:
 Low-temperature structural distortion in CuS
 Sample: T = 8 K
 Note: Cell parameters estimated from Figure 1

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formula_title: Mo Na0.3 O7 P2
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pub_title:
 NaxMoP2O7, a mixed valence molybdenum diphosphate with a tunnel structure
 _cod_database_code 1001439

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formula: Mn1.6 Fe1.2 O4
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formula: Mo P1.5 K.5 O6.5
compound: <missing>
pub_title: A novel form of molybdenum (V) phosphate: delta K Mo2 P3 O13 _cod_database_code 1001380
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formula: Cu Cl2 O2 H4
compound: Synthetic
pub_title: A redetermination of the crystal structure of cupric chloride dihydrate
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formula: Ni S2
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pub_title: Deformationsdichten in CoS2 und NiS2 mit pyritstruktur Note: T = 295 K
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formula: Na (Mg1.9 Fe.1) Cr Si3 O10
compound: Wichita County, USA
pub_title: The crystal structure of the meteoritic mineral krinovite, NaNaMg2CrSi3O10
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formula: Hg Cl
compound: <missing>
pub_title: The structure of calomel, Hg2Cl2, derived from neutron powder data
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formula: Na.01 Ca.02 Mg5.71 Fe1.24 Mn.02 (Si7.95 Al.05) O24 H2
compound: <missing>
pub_title: Verfeinerung der kristallstruktur von anthophyllit vom Ochsenkogel/Gleinalpe, Osterreich
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formula: Ba (Cu In) F7
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formula_title: BaCuInF7
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 Structure of BaCuInF7: The interpretation beween a pyrochlor-like
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formula: K1.85 Ca3.43 Ti.13 Na.15 Fe.15 Mn.08 Mg.06 Si7 O19.39 F.61 H1.39
compound: Murun massif, southwestern Yakutia, Russia
formula_title: <missing>
a: 10.438
b: 12.511
c: 7.112
alpha: 89.92
beta: 99.75
gamma: 92.89
cell_volume: 914.152
crystal_density: 2.738
pub_title:
 The crystal structure of tokkoite and its relation to the structure of tinaksite
 Note: anisotropic temperature factors taken from ICSD

atoms_sites:
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formula: Al Mo P2 O9
compound: <missing>
pub_title: Mo Al P2 O9 molybdenum(V)aluminophosphate isostructural with VSiP2O9 _cod_database_code 1001414
formula_title: Al Mo O9 P2
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formula: Na3 Li Ti2 Si4 O16 H4
compound: Lovozero, Kola Peninsula, Russia
formula_title: <missing>
a: 28.583
b: 8.600
c: 5.219
alpha: 90
beta: 91.03
gamma: 90
cell_volume: 1282.695
crystal_density: 2.817
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pub_title:
 The crystal structure of lintisite, Na3LiTi2[Si2O6]2O2*2H2O, a new
 titanosilicate from Lovozero (USSR)

atoms_sites:
["Na1", "Na2", "Li", "Ti", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "H1", "H2"]

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formula: Sr Al F4 (O2 H3)
compound: Ivigtut, Greenland
pub_title: The structure of acuminite, a strontium aluminium fluoride mineral
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pub_title: The crystal structure of AlAsO4 at high pressure Note: P = 0 GPa
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compound: Synthetic
pub_title: The crystal structure of AlAsO4 at high pressure Note: P = 0 GPa, in the diamond anvil cell
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formula: Al As O4
compound: Synthetic
pub_title: The crystal structure of AlAsO4 at high pressure Note: P = 1.81 GPa
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pub_title: The crystal structure of AlAsO4 at high pressure Note: P = 2.99 GPa
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compound: Synthetic
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formula: Al2.383 Ge.617 O4.809
compound: Synthetic
pub_title: Solid solution and optical properties of (Al,Ge)-mullites
formula_title: <missing>
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formula: Mn S O6 H6
compound: Gambatesa mine, Val Graveglia, Northern Apennines, Italy
pub_title: Gravegliaite, MnSO3*3H2O, a new mineral from Val Graveglia (Northern Apennines, Italy)
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formula: Si O2
compound: <missing>
formula_title: <missing>
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c: 5.4163
alpha: 90
beta: 90
gamma: 120
cell_volume: 113.590
crystal_density: 2.635
atoms_sites: ["Si", "O"]
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pub_title:
 Crystal structures of the low-temperature quartz-type phases of SiO2 and GeO2 at elevated pressure
 P = room pressure

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formula_title: <missing>
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pub_title:
 Crystal structures of the low-temperature quartz-type phases of SiO2 and GeO2 at elevated pressure
 P = 4.0GPa = 40 kbar

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formula: Si O2
compound: <missing>
formula_title: <missing>
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pub_title:
 Crystal structures of the low-temperature quartz-type phases of SiO2 and GeO2 at elevated pressure
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pub_title:
 Crystal structures of the low-temperature quartz-type phases of SiO2 and GeO2 at elevated pressure
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formula: Ca Zn2 P2 O10 H4
compound: <missing>
formula_title: <missing>
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alpha: 90
beta: 90
gamma: 90
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pub_title:
 Order-disorder and polymorphism of the compound
 with the composition of scholzite, CaZn2[PO4]2*2H2O
 Note: hypothetical idealized structure
 Note: x(O2) corrected

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compound: <missing>
formula_title: <missing>
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pub_title:
 Order-disorder and polymorphism of the compound
 with the composition of scholzite, CaZn2[PO4]2*2H2O
 Note: hypothetical idealized structure
 Note: x(O2) corrected

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compound: Zeilberg, Germany
formula_title: <missing>
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c: 7.050
alpha: 90
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pub_title:
 Crystal structure of rhodesite, HK1-xNax+2yCa2-y{lB,3,2}[Si8O19]*(6-z)H2O,
 from three localities and its relation to other silicates with dreier double layers

atoms_sites:
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compound: Trinity County, California, USA
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pub_title:
 Crystal structure of rhodesite, HK1-xNax+2yCa2-y(lB,3,22)(Si8O19)*(6-z)H2O,
 from three localities and its relation to other silicates with dreier double layers

atoms_sites:
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formula: K.25 Ca.5 Si6 O17.805 H5.11
compound: San Venanzo, Italy
formula_title: <missing>
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pub_title:
 Crystal structure of rhodesite, HK1-xNax+2yCa2-y(lB,3,22)(Si8O19)*(6-z)H2O,
 from three localities and its relation to other silicates with dreier double layers

atoms_sites:
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formula: Pb C O3
compound: Pribram, Czech Republic
formula_title: <missing>
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b: 8.492
c: 6.141
alpha: 90
beta: 90
gamma: 90
cell_volume: 270.082
crystal_density: 6.572
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pub_title:
 Neutron single-crystal refinement of cerussite, PbCO3, and comparison with other
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formula: Ca3 Cu5 Si9 O26
compound: Sattelberg scoria cone, Kruft, Eifel district, Germany
pub_title: Liebauite, Ca3Cu5Si9O26: A new silicate mineral with 14er single chain
formula_title: <missing>
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formula: (Ti.93 Nb.07) Si1.75 Al.15 Be.1 Na1.27 O7.219 H1.438
compound: Ilimaussaq, Southern Greenland
pub_title: Refinement of the vinogradovite structure, positioning of Be and excess Na Note: T = 110 K
formula_title: <missing>
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formula: (Ti.93 Nb.07) Si1.75 Al.15 Be.1 Na1.27 O7.223 H1.446
compound: Ilimaussaq, Southern Greenland
pub_title: Refinement of the vinogradovite structure, positioning of Be and excess Na Note: T = 295 K
formula_title: <missing>
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c: 5.211
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formula: Mo P2 O7.5
compound: <missing>
pub_title: Determination of the crystal structure of Mo(V)2P4O15 _cod_database_code 1001467
formula_title: Mo2 O15 P4
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b: 6.5262
c: 10.7181
alpha: 90
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formula: Si17 O34
compound: Synthetic
formula_title: <missing>
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b: 19.369
c: 19.369
alpha: 90
beta: 90
gamma: 90
cell_volume: 7266.438
crystal_density: 1.867
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pub_title:
 Static disorder of dodecasil 3C. A single-crystal study with synchrotron radiation
 Note: T = 523 K, conventional anisotropic refinement

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pub_title:
 Static disorder of dodecasil 3C. A single-crystal study with synchrotron radiation
 Note: T = 523 K, split position refinement

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formula: Be2 P O9 H9
compound: Humaita, Brazil
pub_title: Crystal chemistry of beryllophosphates: The crystal structure of moraesite, Be2(PO4)(OH)*4H2O
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b: 12.319
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 X-ray powder diffraction of Ag2Te at temperatures up to 1123 K
 Note: T = 523 K, this is the alpha phase

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 X-ray powder diffraction of Ag2Te at temperatures up to 1123 K
 Note: T = 723 K, this is the alpha phase

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 X-ray powder diffraction of Ag2Te at temperatures up to 1123 K
 Note: T = 923 K, this is the alpha phase

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 X-ray powder diffraction of Ag2Te at temperatures up to 1123 K
 Note: T = 1123 K, this is the gamma phase

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 Beitrage zum thermischen verhalten von sulfaten. IX.
 Einkristallstrukturverfeinerung der metall(III)-sulfate Cr2(SO4)3 und Al2(SO4)3

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pub_title: The crystal structure of BiOCl
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 Crystal structure of lead silver tribismuth sulfide, PbAgBi3S6
 Note: natural gustavite exhibits ordered Bi/Ag

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 Neutron refinements of NaCu2(H3O2)(SO4)2 and RbCu2(H3O2)(SeO4)2:
 Variation of the hydrogen bond system in the natrochalcite-type series

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formula: (Ca2.15 Ce2.85) Si3 O12.16 (F.84 H.16)
compound: the Kipawa syenite gneiss complex
pub_title: The crystal structure of monoclinic britholite-(Ce) and britholite-(Y) Note: unannealed sample
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pub_title: The crystal structure of a mineral related to paulkerrite
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formula: (Ni.493 Fe.508)
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pub_title: Superstructure of tetrataenite from the Saint Severin meteorite
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formula: Cu.5 U P O10 H8
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pub_title:
 Redetermination of the crystal structure of barium tetrafluorozincate, BaZnF4,
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 Note: T = 295 K

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compound: <missing>
formula_title: BaZnF4
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pub_title:
 Redetermination of the crystal structure of barium tetrafluorozincate, BaZnF4,
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pub_title: Crystal structure of bismuth(III) silicate, Bi4(SiO4)3
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compound: <missing>
pub_title: Crystal structure of nonabarium bis(tetranitridoniobate)nitride azide, Ba9[NbN4]2N[N3]
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formula: Zn4 Na S Cl O16 H18
compound: San Francisco mine, Sierra Gorda, Chile
pub_title: The crystal structure of gordaite NaZn4(SO4)(OH)6Cl*6H2O
formula_title: <missing>
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formula: Mo P O7
compound: <missing>
formula_title: H3 Mo O7 P
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b: 6.339
c: 7.054
alpha: 90
beta: 110.13
gamma: 90
cell_volume: 283.727
crystal_density: 2.796
atoms_sites: ["Mo1", "P1", "O1", "O2", "O3", "O4", "O5", "O6"]
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pub_title:
 Revised crystal structure of molybdenum hydroxymonophosphate,
 (MoO2).(H2O).(P(O3OH))
 _cod_database_code 1001833

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formula: (Nb.787 W.213) P O5
compound: <missing>
formula_title: Nb0.787 O5 P W0.213
a: 6.3524
b: 6.3524
c: 4.0916
alpha: 90
beta: 90
gamma: 90
cell_volume: 165.108
crystal_density: 4.491
atoms_sites: ["Nb1", "W1", "P1", "O1", "O2"]
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pub_title:
 Combination of $-alpha-Nb O P O4 type layers with enantiomorphic
 alpha'-type layers: the "racemic structure" of alpha-alpha'-
 (Nb0.787 W0.213 O P O4)
 _cod_database_code 1001834

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formula: Ca2.5 Si3 O9
compound: Wessels mine, Kalahari manganese field, South Africa
formula_title: <missing>
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b: 3.645
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pub_title:
 Clinotobermorite, Ca5(Si3O8(OH))2*4(H2O) - Ca5(Si6O17)*5(H2O),
 a natural C-S-H(I) type cement mineral: determination of the substructure
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compound: Mont St. Hilaire, Quebec
pub_title: The crystal chemistry of doyleite, Al(OH)3
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formula: Na Mg P O4
compound: <missing>
formula_title: NaMgPO4
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c: 15.250
alpha: 90
beta: 90
gamma: 90
cell_volume: 918.291
crystal_density: 3.087
atoms_occupancy: 0
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pub_title:
 The crystal structures of NaMgPO4, Na2CaMg(PO4)2 and Na18Ca13Mg5(PO4)18:
 new examples for glaserite related structures

atoms_sites:
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formula: Na2 Ca Mg P2 O8
compound: Synthetic
formula_title: <missing>
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c: 13.370
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beta: 90.78
gamma: 90
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pub_title:
 The crystal structures of NaMgPO4, Na2CaMg(PO4)2 and Na18Ca13Mg5(PO4)18:
 new examples for glaserite related structures
 Note: known as the alpha polymorph of Na2CaMg(PO4)2

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formula: Na2 Ca Mg P2 O8
compound: Synthetic
formula_title: Na2CaMg(PO4)2
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b: 5.309
c: 7.237
alpha: 90
beta: 90
gamma: 120
cell_volume: 176.650
crystal_density: 2.823
atoms_sites: ["Na", "Ca", "Mg", "P", "O1", "O2"]
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pub_title:
 The crystal structures of NaMgPO4, Na2CaMg(PO4)2 and Na18Ca13Mg5(PO4)18:
 new examples for glaserite related structures
 Note: known as the beta polymorph of Na2CaMg(PO4)2

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formula: Ca13 Na18 Mg5 P18 O72
compound: <missing>
formula_title: Na18Ca13Mg5(PO4)18
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pub_title:
 The crystal structures of NaMgPO4, Na2CaMg(PO4)2 and Na18Ca13Mg5(PO4)18:
 new examples for glaserite related structures

atoms_sites:
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formula: Cu9 Se4 O14 Cl6
compound: Tolbachik volcano, Kamchatka, Russia
formula_title: <missing>
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b: 6.262
c: 12.999
alpha: 90
beta: 113.05
gamma: 90
cell_volume: 1061.348
crystal_density: 4.144
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pub_title:
 Crystal chemistry of inorganic compounds based on chains of oxocentered
 tetrahedra I. Crystal structure of chloromenite, Cu9O2(SeO3)4Cl6

atoms_sites:
["Cu1", "Cu2", "Cu3", "Cu4", "Cu5", "Se1", "Se2", "O1", "O2", "O3", "O4", "O5", "Cl1", "Cl2", "Cl3"]

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formula: Cu5 Se2 O8 Cl2
compound: Tolbachik volcano, Kamchatka, Russia
formula_title: <missing>
a: 6.030
b: 13.744
c: 5.562
alpha: 90
beta: 95.75
gamma: 90
cell_volume: 458.639
crystal_density: 4.885
atoms_sites: ["Cu1", "Cu2", "Cu3", "Se", "O1", "O2", "O3", "O4", "Cl"]
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pub_title:
 Crystal chemistry of inorganic compounds based on chains of oxocentered
 tetrahedra. III. Crystal structure of georgbokiite, Cu5O2(SeO3)2Cl2

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formula: Mn Al2 P2 O18 H18
compound: Waidhaus, Bavaria, Germany
formula_title: <missing>
a: 10.205
b: 10.504
c: 7.010
alpha: 90.38
beta: 110.10
gamma: 71.82
cell_volume: 666.159
crystal_density: 2.378
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
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pub_title:
 The crystal structure of kastningite (Mn,Fe,Mg)(H2O)4[Al2(OH)2(H2O)2(PO4)2]*2H2O -
 a new hydroxyl aquated orthophosphate hydrate mineral
 Note: changed sign of Oh1(y)

atoms_sites:
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formula: Au (Pb2 Bi) Te2 S3
compound: Synthetic
pub_title: The crystal structure of synthetic buckhornite, [Pb2BiS3][AuTe2]
formula_title: <missing>
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b: 12.308
c: 9.331
alpha: 90
beta: 90
gamma: 90
cell_volume: 471.787
crystal_density: 8.248
atoms_sites: ["Au", "PbMe1", "BiMe1", "PbMe2", "BiMe2", "Te", "S1", "S2"]
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formula: Zn Fe2 As2 O10 H2
compound: Tsumeb mine, Namibia
pub_title: The crystal structure of the new mineral wilhelmkleinite ZnFe3+2(OH)2(AsO4)2
formula_title: <missing>
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b: 7.611
c: 7.377
alpha: 90
beta: 91.80
gamma: 90
cell_volume: 372.123
crystal_density: 4.364
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formula: Na3 Zn.5 Ti2 Si4 O16 H4
compound: Kukisvumtschorr deposit, Khibiny alkaline massif, Kola peninsula, Russia
pub_title: The crystal structure of kukisvumite, Na6ZnTi4(Si2O6)4O4*4H2O
formula_title: <missing>
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b: 8.595
c: 5.209
alpha: 90
beta: 90
gamma: 90
cell_volume: 1299.668
crystal_density: 2.912
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formula: (Sb1.79 As.21) Mo O6
compound: Tsumeb mine Namibia
pub_title: Crystal structure and crystal chemistry of biehlite, Sb1.79As0.21MoO6
formula_title: <missing>
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b: 5.920
c: 5.083
alpha: 90
beta: 96.97
gamma: 90
cell_volume: 539.912
crystal_density: 5.236
atoms_sites: ["Sb", "As", "Mo", "O1", "O2", "O3"]
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formula: Ca6 Si6 O19
compound: model structure, not experimentally determined
formula_title: <missing>
a: 17.032
b: 7.363
c: 14.023
alpha: 90
beta: 90.36
gamma: 90
cell_volume: 1758.542
crystal_density: 2.693
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pub_title:
 Polytypism in xonotlite Ca6Si6O17(OH)2
 Note: polytype derived from structure in Kudoh and Takeuchi (1979)

atoms_sites:
["Ca1", "Ca2", "Ca3", "Si1", "Si2", "Si3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10"]

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formula: Ca6 Si6 O19
compound: model structure, not experimentally determined
formula_title: <missing>
a: 8.712
b: 7.363
c: 7.012
alpha: 89.99
beta: 90.36
gamma: 102.18
cell_volume: 439.661
crystal_density: 2.693
atoms_x: gIQeAICEHgDwJQgAEHQIAGDtDABg7QwA4GsTAICEHgDgXQ0AgG8VAKD1FAAQBQ4AYAAOAICWAgBw0wIAwDwSAJArEgA=
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pub_title:
 Polytypism in xonotlite Ca6Si6O17(OH)2
 Note: polytype derived from structure in Kudoh and Takeuchi (1979)

atoms_sites:
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formula: Ca6 Si6 O19
compound: model structure, not experimentally determined
formula_title: <missing>
a: 17.032
b: 7.363
c: 7.012
alpha: 90
beta: 90.36
gamma: 90
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crystal_density: 2.693
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pub_title:
 Polytypism in xonotlite Ca6Si6O17(OH)2
 Note: polytype derived from structure in Kudoh and Takeuchi (1979)

atoms_sites:
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formula: Ca4 Sn2.07 Fe.41 Sc1.52 Si8 O28 H2
compound: amazonite pegmatite, Heftetjern, Tordal, Telemark, Norway
pub_title: Crystal structure of kristiansenite: a case of class IIB twinning by metric merohedry
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formula: As2 O3
compound: starting material (realgar) from Monte Sughereto, Latium, Italy
pub_title: Refinement of the crystal structure of arsenolite, As2O3
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formula: Pb2.739 Ag.474 As4.522 Sb.265 S10
compound: Valais, Switzerland
formula_title: <missing>
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pub_title:
 Structural and chemical variations in rathite, Pb8Pb4-x(Tl2As2)x(Ag2As2)As16S40:
 modulations of a parent structure

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pub_title:
 Refinement of the crystal structure of Sb-I, at 2.22 GPa
 Sample: at T = 295 K, P = 2.22 GPa
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pub_title: Natural and synthetic compounds with krohnkite-type chains. An update
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pub_title: Natural and synthetic compounds with krohnkite-type chains. An update
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compound: <missing>
pub_title: Natural and synthetic compounds with krohnkite-type chains. An update
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compound: <missing>
pub_title: The crystal structure of CaSiO3-walstromite, a special isomorph of wollastonite-II
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compound: Synthetic
formula_title: <missing>
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b: 5.353
c: 10.652
alpha: 90
beta: 90
gamma: 90
cell_volume: 305.229
crystal_density: 4.660
atoms_sites: ["Sb", "As", "Cu1", "Cu2", "S"]
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pub_title:
 The system Cu3AsS4 - Cu3SbS4 and investigations on normal tetrahedral structures
 Sample: Cu3As0.3Sb0.7S4

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formula_title: <missing>
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b: 5.315
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alpha: 90
beta: 90
gamma: 90
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pub_title:
 The system Cu3AsS4 - Cu3SbS4 and investigations on normal tetrahedral structures
 Sample: Cu3As0.7Sb0.3S4

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compound: Synthetic
pub_title: The system Cu3AsS4 - Cu3SbS4 and investigations on normal tetrahedral structures Sample: Cu3AsS4
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formula: Li Al Si2 O6
compound: Synthetic
formula_title: <missing>
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b: 8.390
c: 5.219
alpha: 90
beta: 110.07
gamma: 90
cell_volume: 389.650
crystal_density: 3.172
atoms_sites: ["Li", "Al", "Si", "O1", "O2", "O3"]
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pub_title:
 Structural variation and crystal chemistry of LiMe3+Si2O6 clinopyroxenes
 Me3+ = Al, Ga, Cr, V, Fe, Sc, and In
 Sample: LiAl

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