# cif

formula: N C3
compound: <missing>
pub_title: More space group changes Sample: T = 153 K
formula_title: C12H14N4
a: 13.635
b: 26.353
c: 6.089
alpha: 89.87
beta: 90
gamma: 90
cell_volume: 2187.913
crystal_density: 1.215
atoms_sites: ["N14", "N23", "C17", "C28", "C39", "C410", "C511", "C612"]
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formula: Cd2 As3 I
compound: <missing>
pub_title: More space-group changes
formula_title: Cd2As3I
a: 8.436
b: 9.594
c: 7.952
alpha: 90
beta: 100.65
gamma: 90
cell_volume: 632.509
crystal_density: 6.054
atoms_sites: ["Cd12", "As13", "As2", "I"]
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formula: Br2 Tl C2 O
compound: <missing>
pub_title: More space-group changes
formula_title: Br4Tl2C4O2H8
a: 10.31
b: 8.560
c: 15.55
alpha: 90
beta: 90
gamma: 90
cell_volume: 1372.344
crystal_density: 3.913
atoms_sites: ["Brl", "Br3", "TlI", "Tl2", "C12", "O12"]
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atoms_y: kOMdAGAFCQCgyRMAIGcyALBXOQBwODkA
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formula: C6 S I
compound: <missing>
pub_title: More space-group changes
formula_title: C6H9SI
a: 18.038
b: 6.611
c: 7.420
alpha: 90
beta: 90
gamma: 90
cell_volume: 884.829
crystal_density: 1.734
atoms_sites: ["C15", "C24", "C3", "C6", "S", "I"]
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formula: (Na1.875 Si1.5) Al1.5 O6.125 S1.125 H.25
compound: <missing>
formula_title: Na7.5Si6Al6O24S4.5*.5D2O
a: 9.0338
b: 9.0338
c: 9.0338
alpha: 90
beta: 90
gamma: 90
cell_volume: 737.244
crystal_density: 2.343
atoms_sites: ["Na", "Si", "Al", "O1", "S", "WatD"]
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pub_title:
 The structure and Si,Al distribution of the ultramarines
 Note: disordered synthetic counterpart to lazurite
 Note: occupancies changed to match formula

qdat:
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formula: (Au.9 Ag.1) Te2
compound: Cripple Creek, Colorado
formula_title: <missing>
a: 7.1947
b: 4.4146
c: 5.0703
alpha: 90
beta: 90.038
gamma: 90
cell_volume: 161.041
crystal_density: 9.141
atoms_sites: ["Au", "Ag", "Te"]
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pub_title:
 Valence fluctuations in the incommensurately modulated structure of calaverite AuTe2
 Sample: T = 298 K

qdat:
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formula: (Au.9 Ag.1) Te2
compound: Cripple Creek, Colorado
formula_title: <missing>
a: 7.182
b: 4.402
c: 5.056
alpha: 90
beta: 89.99
gamma: 90
cell_volume: 159.846
crystal_density: 9.209
atoms_sites: ["Au", "Ag", "Te"]
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pub_title:
 Valence fluctuations in the incommensurately modulated structure of calaverite AuTe2
 Sample: T = 100 K

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formula: Ni8.499 As3 O16
compound: <missing>
pub_title: Structure of aerugite (Ni8.5As3O16) and interrelated arsenate and germanate structural series
formula_title: <missing>
a: 9.8105
b: 9.8105
c: 9.8105
alpha: 35.312
beta: 35.312
gamma: 35.312
cell_volume: 281.837
crystal_density: 5.771
atoms_sites: ["Ni1", "Ni2", "As1", "As2", "O1", "O2", "O3", "O4"]
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formula: Rb2 Zn Cl4
compound: <missing>
pub_title: Structural study of the incommensurate and lock-in phases of Rb2ZnCl4 _cod_database_code 1001389
formula_title: Cl4 Rb2 Zn
a: 7.230
b: 12.608
c: 9.199
alpha: 90
beta: 90
gamma: 90
cell_volume: 838.543
crystal_density: 2.995
atoms_sites: ["Rb1", "Rb2", "Zn1", "Cl1", "Cl2", "Cl3", "Cl4"]
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formula: Rb2 Zn Cl4
compound: <missing>
pub_title: Structural study of the incommensurate and lock-in phases of Rb2ZnCl4 _cod_database_code 1001390
formula_title: Cl4 Rb2 Zn
a: 7.253
b: 12.646
c: 9.221
alpha: 90
beta: 90
gamma: 90
cell_volume: 845.763
crystal_density: 2.970
atoms_sites: ["Rb1", "Rb2", "Zn1", "Cl1", "Cl2", "Cl3"]
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formula: (Mg2 Ti) O4
compound: Synthetic
formula_title: <missing>
a: 8.4376
b: 8.4376
c: 8.4376
alpha: 90
beta: 90
gamma: 90
cell_volume: 600.699
crystal_density: 3.549
atoms_sites: ["MgM1", "TiM1", "MgM2", "TiM2", "O"]
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pub_title:
 Structure refinements of Mg2TiO4, MgTiO3 and MgTi2O5 by time-of-flight neutron
 powder diffraction
 Sample: T = 973 K

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formula: Mg2 Ti O4
compound: Synthetic
formula_title: <missing>
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b: 5.9748
c: 8.414
alpha: 90
beta: 90
gamma: 90
cell_volume: 300.365
crystal_density: 3.549
atoms_sites: ["Mg", "TiM1", "MgM1", "TiM2", "MgM2", "O1", "O2"]
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pub_title:
 Structure refinements of Mg2TiO4, MgTiO3 and MgTi2O5 by time-of-flight neutron
 powder diffraction
 Sample: T = 773 K

qdat:
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formula: Mg Ti O3
compound: Synthetic
pub_title: Structure refinements of Mg2TiO4, MgTiO3 and MgTi2O5 by time-of-flight neutron powder diffraction
formula_title: <missing>
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b: 5.05478
c: 13.8992
alpha: 90
beta: 90
gamma: 120
cell_volume: 307.557
crystal_density: 3.893
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formula: (Mg.999 Ti2.001) O5
compound: Synthetic
formula_title: <missing>
a: 9.7289
b: 10.0057
c: 3.7416
alpha: 90
beta: 90
gamma: 90
cell_volume: 364.224
crystal_density: 3.649
atoms_sites: ["MgM1", "TiM1", "MgM2", "TiM2", "O1", "O2", "O3"]
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pub_title:
 Structure refinements of Mg2TiO4, MgTiO3 and MgTi2O5 by time-of-flight neutron
 powder diffraction
 Sample: T = 973 K

qdat:
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formula: (Mg Ti2) O5
compound: Synthetic
formula_title: <missing>
a: 9.7492
b: 9.9896
c: 3.7460
alpha: 90
beta: 90
gamma: 90
cell_volume: 364.825
crystal_density: 3.642
atoms_sites: ["MgM1", "TiM1", "MgM2", "TiM2", "O1", "O2", "O3"]
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pub_title:
 Structure refinements of Mg2TiO4, MgTiO3 and MgTi2O5 by time-of-flight neutron
 powder diffraction
 Sample: T = 1773

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formula: Ni S O10
compound: <missing>
formula_title: <missing>
a: 6.7803
b: 6.7803
c: 18.288
alpha: 90
beta: 90
gamma: 90
cell_volume: 840.745
crystal_density: 1.981
atoms_sites: ["Ni", "S", "O4", "O5", "ODw1", "ODw2", "ODw3"]
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pub_title:
 Bonding deformation and superposition effects in the
 electron density of tetragonal nickel sulfate hexadeuterate NiSO4*6D2O
 Sample: X-ray refinement

qdat:
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formula: Bi12.5 Fe.5 O19.48
compound: Synthetic
formula_title: <missing>
a: 10.184
b: 10.184
c: 10.184
alpha: 90
beta: 90
gamma: 90
cell_volume: 1056.222
crystal_density: 9.281
atoms_sites: ["Bi", "FeM", "BiM", "O1", "O2", "O3"]
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pub_title:
 Atomic structure and crystal chemistry of sillenites:
 Bi12(Bi3+0.50Fe3+0.50)O19.50 and Bi12(Bi3+0.50Fe3+0.50)O19.33
 Note: anisoB's from ICSD

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pub_title:
 Atomic structure and crystal chemistry of sillenites:
 Bi12(Bi3+0.50Fe3+0.50)O19.50 and Bi12(Bi3+0.50Fe3+0.50)O19.33
 Note: anisoB's from ICSD
 Note: z(Bi) corrected

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pub_title:
 Structures of orthorhombic and monoclinic Ni3(AsO4)2
 Note: AnisoU's taken from ICSD
 Note: polymorph of xanthiosite

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pub_title:
 A low-temperature structural phase transformation in CuAgS
 Sample: T = 120 K
 Note: dimorphic with stromeyerite

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pub_title:
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 Sample: T = 13 K
 Note: dimorphic with stromeyerite

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pub_title:
 X-ray investigation of the incommensurate modulated structure of
 Bi2.08Sr1.84CuO6-d
 _cod_database_code 1001691

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pub_title:
 Single crystal study of the 'BaSr' 1212 superconductor Tl1+xBaSrCa1-xCu2O7-d
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pub_title:
 Single crystal study of the 'BaSr' 1212 superconductor Tl1+xBaSrCa1-xCu2O7-d
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pub_title:
 Single crystal study of the 'BaSr' 1212 superconductor Tl1+xBaSrCa1-xCu2O7-d
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formula: Pb1.999 Mg W O6
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formula: Pb2 Mg W O6
compound: <missing>
pub_title: Crystal structure of the antiferroelectric perovskite Pb2 Mg W O6 _cod_database_code 1001661
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formula: Ca C O3
compound: <missing>
formula_title: <missing>
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beta: 90
gamma: 120
cell_volume: 367.761
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pub_title:
 Electron density and optical anisotropy in rhombohedral carbonates.
 III. Synchrotron X-ray studies of CaCO3, MgCO3 and MnCO3

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pub_title:
 Electron density and optical anisotropy in rhombohedral carbonates.
 III. Synchrotron X-ray studies of CaCO3, MgCO3 and MnCO3
 Sample: Synchrotron data

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pub_title:
 Electron density and optical anisotropy in rhombohedral carbonates.
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 Sample: Mo Kalpha

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pub_title:
 Electron density and optical anisotropy in rhombohedral carbonates.
 III. Synchrotron X-ray studies of CaCO3, MgCO3 and MnCO3

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formula: Ca3 Fe2 Si3 O12
compound: Val Malenco, Italy
pub_title: Atomic displacement parameters for garnets: A lattice-dynamical evaluation
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formula: Ba.43 Ca In3 O6
compound: <missing>
pub_title: Incommensurate modulated disorder in Ba0.85Ca2.15In6O12 _cod_database_code 1000428
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formula: Pb Cu6 O8
compound: <missing>
formula_title: <missing>
a: 9.314
b: 9.314
c: 9.314
alpha: 90
beta: 90
gamma: 90
cell_volume: 807.995
crystal_density: 5.890
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pub_title:
 Structure of Cu6PbO8
 Note: these are model structure derived from quantum calculations
 This model appears to be the stable phase at ambient conditions

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formula: Pb Cu6 O8
compound: <missing>
formula_title: <missing>
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b: 8.623
c: 8.623
alpha: 90
beta: 90
gamma: 90
cell_volume: 641.173
crystal_density: 7.422
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pub_title:
 Structure of Cu6PbO8
 Note: these are model structure derived from quantum calculations
 This model appears to be the stable phase at high pressure

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formula: P Se6 Cu7
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pub_title:
 Structures and phase transitions of the A7PSe6 (A = Ag, Cu) argyrodite-type
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pub_title:
 Structures and phase transitions of the A7PSe6 (A = Ag, Cu) argyrodite-type
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 Note: T = 353 K

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formula: Cu Se2
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pub_title: Klockmannite, CuSe: structure, properties and phase stability from ab initio modeling
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formula: Cu3 Se2
compound: hypothetical structure calculated using DFT
pub_title: Klockmannite, CuSe: structure, properties and phase stability from ab initio modeling
formula_title: <missing>
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formula: Al2 Mn3 Si3 O12
compound: Elba Isle, Campo, Italy
formula_title: <missing>
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beta: 90
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pub_title:
 Atomic displacement parameters for spessartine Mn3Al2Si3O12
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formula: Na2 C O3
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formula: Na2 C O3
compound: Synthetic
pub_title: Sodium carbonate revisited Sample: Delta phase, T = 110 K
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formula: Na Si1.5 O3.5
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formula_title: Na2Si3O7
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pub_title:
 Na2Si3O7: an incommensurate structure with crenel-type modulation functions,
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formula: Ni (O2 H2)
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pub_title:
 Classification of stacking faults and their stepwise elemination during the
 disorder -> order transformation of nickel hydroxide

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pub_title:
 First (3+2)-dimensional superspace approach to the structure of
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compound: datolite-hedenbergite scarn deposit, Tetyche, Sikhote-Alin mountains
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pub_title:
 Multipole refinement and electron density analysis in natural borosilicate
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formula: Cu3 Mg Cl2 O6 H6
compound: Haydee mine, Salar Grande, Atacama desert, Chile
pub_title: Cu3MgCl2(OH)6 and the bond-valence parameters of the OH-Cl bond
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formula: Mg.5 Cl O2 H4
compound: <missing>
formula_title: MgCl2*4H2O
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b: 11.0230
c: 7.2951
alpha: 90
beta: 90
gamma: 90
cell_volume: 339.038
crystal_density: 1.639
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pub_title:
 Structures of three dehydration products of bischofite from in situ
 synchrotron powder diffraction data (MgCl2*nH2O; n = 1,2,4)

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formula: Mg Cl2 O2 H4
compound: <missing>
formula_title: MgCl2*2H2O
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b: 8.5736
c: 3.65065
alpha: 90
beta: 98.580
gamma: 90
cell_volume: 229.886
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pub_title:
 Structures of three dehydration products of bischofite from in situ
 synchrotron powder diffraction data (MgCl2*nH2O; n = 1,2,4)

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formula: Mg Cl2 O H2
compound: <missing>
formula_title: MgCl2*H2O
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b: 3.63421
c: 11.4775
alpha: 90
beta: 90
gamma: 90
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pub_title:
 Structures of three dehydration products of bischofite from in situ
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formula: Ce3 N3 P12 O36
compound: <missing>
formula_title: Ce H4 N O12 P4
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b: 15.23
c: 15.23
alpha: 90
beta: 90
gamma: 90
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pub_title:
 Affinement de la Structure du Tetrametaphosphate d'Ammonium et de
 Cerium, Ce N H4 P4 O12. Relation Entre la Forme Cubique des
 Composes du Type Ln M^I^ P4 O12 et le Tetrametaphosphate
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formula: Fe3 O4
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formula_title: <missing>
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pub_title:
 The structure of magnetite: two annealed natural magnetites,
 Fe3.005O4 and Fe2.96Mg0.04O4
 Note: Sample No.633, Fe3.005, annealed at 1373 K for 7 days


formula: (Fe2.961 Mg.039) O4
compound: <missing>
formula_title: <missing>
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pub_title:
 The structure of magnetite: two annealed natural magnetites,
 Fe3.005O4 and Fe2.96Mg0.04O4
 Note: Sample No.2741, Fe2.96, annealed at 1073 K for 7 days


formula: Sb4 O8.54 Cl H6.04
compound: <missing>
pub_title: The structures of onoratoite, Sb8O11Cl2 and Sb8O11Cl2*6H2O Note: anisoB's from ICSD
formula_title: Sb8O11Cl2*6H2O
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compound: Synthetic
pub_title: The structure of gamma-bismuth molybdate, Bi2MoO6, by powder neutron diffraction
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pub_title: Potassium Tetrabromoindate(III), K (In Br4) _cod_database_code 1004072
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formula: Br6 Mn2 Mg O12
compound: <missing>
formula_title: Br6 H24 Mg Mn2 O12
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pub_title:
 Structure de l'hexabromure de magnesium et de dimanganese dodecahydrate
 Mg Mn2 Br6 (H2 O)12
 _cod_database_code 1001330

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formula: Fe F4 N
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pub_title: Room-Temperature Structure of Ammonium Tetrafluorate(III), NH4(FeF4) _cod_database_code 1000206
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formula: Rb P O4 H2
compound: <missing>
pub_title: Structure of a New Form of Rubidium Dihydrogenphosphate, Rb H2 P O4 _cod_database_code 1007144
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formula: Pb O
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beta: 90
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pub_title:
 Refinement of the structure of orthorhombic PbO (massicot) by
 Rietveld analysis of neutron powder diffraction data

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formula: K P O4 H2
compound: <missing>
pub_title: Structure of tetrapotassium tetrametaphosphate tetrahydrate _cod_database_code 1007148
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formula: Fe2 Mo3 O8
compound: Kamioka mine, Gifu Prefecture, Japan
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pub_title: The structure of atacamite and its relationship to spinel
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pub_title:
 Refinement of the structure of manganese sodium dimetasilicate
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 Temperature dependence of atomic thermal parameters of lead chalcogenides, PbS,
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formula: Pb Te
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pub_title:
 Temperature dependence of atomic thermal parameters of lead chalcogenides, PbS,
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pub_title:
 Temperature dependence of atomic thermal parameters of lead chalcogenides, PbS,
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 Sample: T = 120 K

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pub_title:
 Temperature dependence of atomic thermal parameters of lead chalcogenides, PbS,
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 Sample: T = 150 K

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formula: Pb S
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pub_title:
 Temperature dependence of atomic thermal parameters of lead chalcogenides, PbS,
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 Sample: T = 200 K

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pub_title:
 Temperature dependence of atomic thermal parameters of lead chalcogenides, PbS,
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 Sample: T = 250 K

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pub_title:
 Temperature dependence of atomic thermal parameters of lead chalcogenides, PbS,
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 Sample: T = 120 K

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pub_title:
 Temperature dependence of atomic thermal parameters of lead chalcogenides, PbS,
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formula: Cu Fe2 P2 O10 H2
compound: silicified barite vein, Reichenbach, Odenwald, Germany
pub_title: Structure of hentschelite, CuFe2(PO4)2(OH)2, a new member of the lazulite group
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formula: U B2 O6
compound: <missing>
pub_title: Structure du borate d'uranium U B2 O6 _cod_database_code 1001345
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pub_title:
 Refinement of the structure of orthorhombic sulfur, alpha-S8
 Sample: at T = 298 K
 Note: alpha phase

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pub_title:
 Refinement of the structure of orthorhombic sulfur, alpha-S8
 Sample: at T = 298 K
 Note: alpha phase
 Note: coordinate positions of atoms correspond to high-angle refinements

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formula: U Na B O5
compound: <missing>
pub_title: Synthese et structure du borouranate de sodium, Na B U O5. _cod_database_code 1001359
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formula: Nb2 P3 O12
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formula_title: Nb2(PO4)3
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formula: Zn S
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pub_title: U parameters for the wurtzite structure of ZnS and ZnO using powder neutron diffraction
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pub_title:
 Mono-amino-acid-copper complexes: syntheses and structures of
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pub_title: Room-temperature structures of oxocopper(II) vanadate(V) hydrates, Cu3V2O8(H2O) and CuV2O6(H2O)2
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pub_title: Structure of the new mineral muckeite, BiCuNiS3
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pub_title:
 Structural phase transitions in Chevrel phases containing divalent
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 Sample: T = 112 K

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 Structural phase transitions in Chevrel phases containing divalent
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pub_title:
 Structural phase transitions in Chevrel phases containing divalent
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 Sample: T = 177 K

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pub_title:
 Structural phase transitions in Chevrel phases containing divalent
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 Sample: T = 173 K

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pub_title: Structure investigation by neutron diffraction of deuterated cobalt fluosilicate hexahydrate
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compound: <missing>
pub_title: Kalium-dioxonium-hexafluoroaluminat
formula_title: (H2O)2KAlF6
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formula: S F O3 H
compound: <missing>
formula_title: FSO2(OH)
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beta: 90
gamma: 90
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pub_title:
 Structures of two strong Bronsted acids: (I) fluorosulfuric
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 Sample: T = 123 K

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formula_title: CF3SO2(OH)
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pub_title:
 Structures of two strong Bronsted acids: (I) fluorosulfuric
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 Sample: T = 173 K

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formula: Ni Cl2 O12 H12
compound: <missing>
pub_title: The structure of hexaaquanickel(II) chlorate
formula_title: Ni(H2O)6(ClO3)2
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formula: Y Ba2 Cu2.941 O6.822
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pub_title: Untwinned single crystals of the high-temperature superconductor YBa2Cu3O7-x
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formula: Cs S O4 H
compound: <missing>
pub_title: Redetermination of the structure of caesium hydrogensulfate
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formula: Ba O5 H8
compound: <missing>
pub_title: Hydrogen bonding in barium hydroxide trihydrate by neutron diffraction
formula_title: Ba(OH)2.3H2O
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formula: Li2 Si2 O5
compound: <missing>
pub_title: The structure of metastable lithium disilicate, Li2Si2O5
formula_title: Li2Si2O5
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b: 4.784
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formula: Tm2 Zn S4
compound: <missing>
pub_title: Structure du sulfure de thulium et de zinc ZnTm2S4
formula_title: ZnTm2S4
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formula: Na4 O I2
compound: <missing>
pub_title: Structure of Na4OI2
formula_title: Na4OI2
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formula: U B Li O5
compound: <missing>
pub_title: Synthese et structure du borouranate de lithium LiBUO5
formula_title: LiBUO5
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b: 10.574
c: 6.835
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formula: Ti2.94 Nb.8 Al2.26
compound: <missing>
pub_title: Structure of omega-Ti3Al2.25Nb.75
formula_title: Ti3Al2.25Nb.75
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formula: Tm2 S3
compound: <missing>
pub_title: Tm2S3-V, a corundum-type modification of thulium sesquisulfide
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formula: V2 O5 Na.56
compound: <missing>
pub_title: Structure of Na0.56V2O5
formula_title: Na0.56V2O5
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b: 3.6532
c: 8.92
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formula: Br4 Mn Ca O8
compound: <missing>
pub_title: Structure of calcium manganese(II) tetrabromide octahydrate
formula_title: CaMnBr4.8H2O
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b: 9.582
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formula: Pb2 As O3 Cl2
compound: <missing>
pub_title: Structure of dilead(II) hydrogenarsenate(III) dichloride
formula_title: Pb2AsO2OHCl2
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formula: Cu2 P2 O7
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pub_title: Structural refinement of low-temperature copper(II) pyrophosphate
formula_title: Cu2P2O7
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formula: Sn Co4 O16 C16
compound: <missing>
pub_title: The structures of [Sn{Co(CO4)4}4] and [Pb{Co(CO)4}4]
formula_title: SnCo4(CO)16
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formula: O Cl Na3
compound: <missing>
pub_title: Structure of Na3OCl
formula_title: Na3OCl
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formula: Y Cl3 O6
compound: <missing>
pub_title: Structure of hexaaquadichloroyttrium(III) chloride
formula_title: YCl2(H2O)6Cl
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formula: Ag.616 Nb S2
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formula_title: Ag0.6NbS2
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formula: Sr I2 O7 H2
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pub_title: Structural instability of the water molecule in Sr(IO3)2.H2O, a neutron diffraction study
formula_title: Sr(IO3)2.H2O
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formula: Mg2 Pt Si
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pub_title: Dimagnesium platinum silicon
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formula: Er V O4
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pub_title: ErVO4-II, a scheelite-type high-pressure modification of erbium orthovanadate
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formula: Ta5 Ga2 Sn
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pub_title: Structure of Ta5SnGa2
formula_title: Ta5SnGa2
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formula: V2 Ga Sn2
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formula: Gd Si
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pub_title: Structure of gadolinium monosilicide
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formula: Na4 Ge8.5 O20
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pub_title: Refinement of the structure of sodium enneagermanate (Na4Ge9O20)
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formula: Lu U4 S5 O4
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pub_title: Structure de l'oxysulfure d'uranium et de lutecium, (USO)4LuS
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formula: K4 O Br2
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pub_title: Structure of K4OBr2
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formula: Si.795 Al.225 O2.611 Na.444 H1.222
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pub_title: Structure of a high-silica variety of zeolite Na-P
formula_title: Na3.6Al3.6Si12.4O32.14H2O
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formula: La S O
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pub_title: Room-temperature structure of La2O2S2
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formula: Ba Cu2 Si2 O7
compound: <missing>
pub_title: Structure of barium copper pyrosilicate at 300 K
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pub_title:
 Structure of the heavy-fermion superconductor UBe13
 Note: x-coordinate of U altered from reported value.

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formula: Ni Br2 O14 H12
compound: <missing>
pub_title: Structure of nickel(II) perbromate hexahydrate at 296K
formula_title: Ni(BrO4)2.6H2O
a: 7.874
b: 7.874
c: 5.423
alpha: 90
beta: 90
gamma: 120
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formula: V4 K O10
compound: <missing>
pub_title: Structure of K0.5V2O5
formula_title: K0.5V2O5
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b: 11.6120
c: 18.6332
alpha: 90
beta: 90
gamma: 90
cell_volume: 795.891
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formula: Rb Na S
compound: <missing>
pub_title: Structure of RbNaS
formula_title: RbNaS
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b: 4.696
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alpha: 90
beta: 90
gamma: 90
cell_volume: 166.694
crystal_density: 2.800
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formula: Ta S2
compound: <missing>
pub_title: Structure of 2H-TaS2
formula_title: TaS2
a: 3.314
b: 3.314
c: 12.097
alpha: 90
beta: 90
gamma: 120
cell_volume: 115.057
crystal_density: 7.074
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formula: Pb Cl2 O2
compound: <missing>
formula_title: Pb(ClO2)2
a: 6.004
b: 12.504
c: 6.010
alpha: 90
beta: 90
gamma: 90
cell_volume: 451.195
crystal_density: 9.130
atoms_sites: ["Pb", "Cl", "O"]
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pub_title:
 Structures of lead chlorite, magnesium chlorite hexahydrate
 and silver chlorite
 Sample: Compound (I)

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formula: Cl2 Mg O10
compound: <missing>
formula_title: Mg(ClO2)2.6H2O
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b: 7.471
c: 9.980
alpha: 90
beta: 90
gamma: 90
cell_volume: 557.042
crystal_density: 1.522
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pub_title:
 Structures of lead chlorite, magnesium chlorite hexahydrate
 and silver chlorite
 Sample: Compound (II)

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formula: Ag Cl O2
compound: <missing>
formula_title: AgClO2
a: 6.0754
b: 6.6796
c: 6.1226
alpha: 90
beta: 90
gamma: 90
cell_volume: 248.463
crystal_density: 4.687
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pub_title:
 Structures of lead chlorite, magnesium chlorite hexahydrate
 and silver chlorite
 Sample: Compound (III)

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formula: Lu (Fe Co) O4
compound: <missing>
pub_title: Structures of LuFeCoO4 and LuFe2O4
formula_title: LuFeCoO4
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b: 3.4180
c: 25.28
alpha: 90
beta: 90
gamma: 120
cell_volume: 255.771
crystal_density: 6.890
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formula: Lu Fe2 O4
compound: <missing>
pub_title: Structures of LuFeCoO4 and LuFe2O4
formula_title: LuFe2O4
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b: 3.4406
c: 25.28
alpha: 90
beta: 90
gamma: 120
cell_volume: 259.165
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formula: Er Fe C6 N6 O4
compound: <missing>
pub_title: Structure of ErFe(CN)6.4H2O
formula_title: ErFe(CN)6.4H2O
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b: 12.7576
c: 13.5636
alpha: 90
beta: 90
gamma: 90
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crystal_density: 2.324
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formula: La Cr C6 N6 O5
compound: <missing>
pub_title: Structure of LaCr(CN)6.5H2O
formula_title: LaCr(CN)6.5H2O
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b: 7.7053
c: 14.8155
alpha: 90
beta: 90
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formula: Mg.697 Fe.303 Si.5 S3
compound: <missing>
pub_title: Synthesis and structure of magnesium iron thiosilicates (Mg1-xFex)2SiS4
formula_title: Mg1.4Fe0.6SiS4
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b: 7.348
c: 5.901
alpha: 90
beta: 90
gamma: 90
cell_volume: 547.774
crystal_density: 1.747
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formula: Mg.931 Fe.069 Si.5 S3
compound: <missing>
pub_title: Synthesis and structure of magnesium iron thiosilicates (Mg1-xFex)2SiS4
formula_title: Mg1.86Fe0.14SiS4
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b: 7.405
c: 5.913
alpha: 90
beta: 90
gamma: 90
cell_volume: 555.072
crystal_density: 1.636
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formula: Ru S2
compound: <missing>
pub_title: Structure refinement of pyrite-type ruthenium disulfide, RuS2, and ruthenium diselenide, RuSe2
formula_title: <missing>
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b: 5.6106
c: 5.6106
alpha: 90
beta: 90
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crystal_density: 6.213
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formula: Ru Se2
compound: <missing>
pub_title: Structure refinement of pyrite-type ruthenium disulfide, RuS2, and ruthenium diselenide, RuSe2
formula_title: RuSe2
a: 5.9336
b: 5.9336
c: 5.9336
alpha: 90
beta: 90
gamma: 90
cell_volume: 208.908
crystal_density: 8.234
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formula: P2 (Na1.333 Zr.667) O7
compound: <missing>
pub_title: Structure of (Na2/3Zr1/3)P2O7
formula_title: (Na2/3Zr1/3)2P2O7
a: 6.867
b: 12.345
c: 27.527
alpha: 90
beta: 90
gamma: 90
cell_volume: 2333.550
crystal_density: 3.022
atoms_sites: ["P", "Na", "Zr", "O1", "O2", "O3", "O4"]
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formula: Li Ga S2
compound: <missing>
pub_title: Structure of lithium gallium sulfide, LiGaS2
formula_title: LiGaS2
a: 6.519
b: 7.872
c: 6.238
alpha: 90
beta: 90
gamma: 90
cell_volume: 320.119
crystal_density: 2.921
atoms_sites: ["Li", "Ga", "S1", "S2"]
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formula: O8 Cr2 K3 Na
compound: <missing>
pub_title: Structure and phase transition of K3Na(CrO4)2
formula_title: K3Na(CrO4)2
a: 5.8580
b: 5.8580
c: 7.523
alpha: 90
beta: 90
gamma: 120
cell_volume: 223.574
crystal_density: 2.765
atoms_sites: ["O2", "O1", "Cr", "K1", "Na", "K2"]
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formula: Al3 Y3 Ge2 Ni
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pub_title: Y3NiAl3Ge2, a quaternary substitution variant of the hexagonal Fe2P type
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formula: Y Ge Al
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formula: Cu O2 H2
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formula: Sr Sb F5
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formula: Ba Sb F5
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formula: Ag N3 C2
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pub_title: Silver dicyanamide, AgN(CN)2 - orthorhombic modification
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formula: Fe Sn F6 O6 H12
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pub_title: Room-temperature structure of iron(II) hexafluorostannate(IV)hexahydrate
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formula: Al Mg3 Pt2
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pub_title: Aluminium trimagnesium diplatinum
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formula: Er5 Sb3
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pub_title: Structure of Er5Sb3
formula_title: Er5Sb3
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formula: Th B2 O5
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pub_title: Synthese et structure du borate de thorium: ThB2O5 _cod_database_code 1001443
formula_title: B2 O5 Th
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formula: Cu2 Al As O12 H12
compound: Roughton Gill, England
pub_title: Refinement of the structure of liroconite, a heteropolyhedral framework oxysalt mineral
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formula: Fe Sb2 S4
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pub_title: Structure du sulfure de fer et d'antimoine, FeSb2S4 (Berthierite)
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formula: Ca Al F5
compound: <missing>
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formula: U6 Bi K9 O24
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pub_title: Structure de K9BiU6O24 _cod_database_code 1001509
formula_title: Bi K9 O24 U6
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formula: Ta3 N5
compound: <missing>
pub_title: Structure of Ta3N5 at 16 K by time-of-flight neutron diffraction _cod_database_code 1005006
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formula: U2 Si O10 H4
compound: Democratic Republic of the Congo
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pub_title:
 The importance of accurate crystal structure determination
 of uranium minerals. II. Soddyite (UO2)2(SiO4)*2H2O

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formula: Pb2 (Mn Fe2) F12 O3
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formula: Nb N4 Li7
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pub_title: Structure of lithium niobium nitride _cod_database_code 1005005
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pub_title:
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 Note: anisoU's from ICSD

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formula: Tl2 Sr O4
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formula_title: O4 Sr Tl2
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pub_title:
 Structure Refinement of the semi-Metallic Oxide SrTl2O4: a Neutron
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formula: S
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formula: Nb8 K3 O21
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pub_title: Single-crystal structure of K3 Nb8 O21 _cod_database_code 1001860
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formula: Cu Cr2 Se4
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formula: Li Ga Si2 O6
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formula: (Y.947 Dy.028 Er.018 Gd.007) P O6 H4
compound: Synthetic
formula_title: <missing>
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c: 6.275
alpha: 90
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gamma: 90
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crystal_density: 3.201
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pub_title:
 Structure of a Y(1-x)(Gd,Dy,Er)xPO4*2H2O microcrystal using synchrotron radiation
 Note: anisoU's taken from ICSD
 Note: isostructural with gypsum

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formula: Ba3 Sc F7 O3 C
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pub_title: A scandium fluorocarbonate, Ba3Sc(CO3)F7 _cod_database_code 1000361
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formula: K2 Fe Cl5 O H2
compound: Synthetic
formula_title: <missing>
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alpha: 90
beta: 90
gamma: 90
cell_volume: 907.282
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pub_title:
 Single-crystal pulsed neutron diffraction structure of the antiferromagnet
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 Sample: P = .1 MPa
 Sample: T = 15 K

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pub_title:
 Single-crystal pulsed neutron diffraction structure of the antiferromagnet
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 Sample: P = .14 GPa
 Sample: T = 15 K

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formula: Zr W2 O8
compound: <missing>
pub_title: Zirconium tungstate _cod_database_code 1000396
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formula: Mg2 B2 O5
compound: Synthetic
pub_title: Monoclinic Mg2B2O5
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formula: Na Ga Si2 O6
compound: <missing>
pub_title: Low-density form of NaGaSi2O6 Note: anisoU's from ICSD
formula_title: NaGaSi2O6
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b: 8.7019
c: 5.2705
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formula_title: Ba3 Ga2 N4
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pub_title:
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 _cod_database_code 1001731

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compound: Synthetic
pub_title: A comparison of the clinopyroxene compounds CaZnSi2O6 and CaZnGe2O6
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formula: Cu (Co1.36 Ni.64) Se4
compound: Eagle Claims, Beaverlodge Lake area, Saskatchewan, Canada
pub_title: Tyrrellite, Cu(Co0.68Ni0.32)2Se4, isostructural with spinel
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formula: Ba B2 F8
compound: <missing>
pub_title: Strontium tetrafluoridoborate and barium tetrafluoridoborate
formula_title: Ba(BF4)2
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formula: Mg Ca P O4.2 (F.8 H.2)
compound: Kjorrestad, near Bamle, Norway
pub_title: Isokite, CaMg(PO4)F0.8(OH)0.2, isomorphous with titanite
formula_title: <missing>
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formula: Na3 Fe2 As3 O12
compound: Synthetic
formula_title: Na3Fe2(AsO4)3
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b: 12.250
c: 12.250
alpha: 90
beta: 90
gamma: 90
cell_volume: 1838.266
crystal_density: 4.317
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pub_title:
 L'arseniate Na3Fe2(AsO4)3: etude structurale de la forme basse temperature
 et simulation des propriete de conduction des cations alcalins
 Note: garnet structure

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formula: Tl2 C O3
compound: Synthetic
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formula_title: Tl2CO3
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formula: Sr5 As3 O12 F
compound: Synthetic
pub_title: Sr, Ba and Cd arsenates with the apatite-type structure
formula_title: Sr5(AsO4)3F
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pub_title: Sr, Ba and Cd arsenates with the apatite-type structure
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formula: Cd5 As3 Cl.58 O12.42 H.42
compound: Synthetic
pub_title: Sr, Ba and Cd arsenates with the apatite-type structure
formula_title: Cd5(AsO4)3Cl.58(OH).42
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formula: Na Cr Ge2 O6
compound: <missing>
formula_title: NaCrGe2O6
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b: 8.8441
c: 5.4595
alpha: 90
beta: 107.548
gamma: 90
cell_volume: 456.466
crystal_density: 4.601
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pub_title:
 Chromium-based clinopyroxene-type germanates NaCrGe2O6 and LiCrGe2O6 at 298 K
 Note: pyroxene structure

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formula: Pr Mo6 O12
compound: <missing>
pub_title: A new reduced molybdenum oxide with a hollandite-type structure, PrMo6O12
formula_title: PrMo6O12
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formula: Cd As2 O6
compound: <missing>
pub_title: Cadmium(II) metaarsenate(V), CdAs2O6
formula_title: CdAs2O6
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b: 4.8269
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formula: Cd2 As2 O7
compound: <missing>
pub_title: Cadmium(II) diarsenate(V), Cd2As2O7
formula_title: Cd2As2O7
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formula: Er Mn O3
compound: <missing>
pub_title: Hexagonal ErMnO3
formula_title: ErMnO3
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b: 6.1121
c: 11.4200
alpha: 90
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formula: Pb I F
compound: <missing>
pub_title: Matlockite-type PbFI
formula_title: PbFI
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b: 4.2374
c: 8.800
alpha: 90
beta: 90
gamma: 90
cell_volume: 158.009
crystal_density: 7.422
atoms_sites: ["Pb", "I", "F"]
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formula: Pb Ga B O4
compound: <missing>
pub_title: PbGaBO4, an orthoborate with a new structure-type
formula_title: PbGaBO4
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formula: Yb Mn O3
compound: <missing>
pub_title: Hexagonal YbMnO3 revisited
formula_title: YbMnO3
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formula: (Mn.95 Fe.05) S
compound: Synthetic
pub_title: Mn1-xFexS, x=0.05, an example of an anti-wurtzite structure
formula_title: <missing>
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b: 3.982
c: 6.445
alpha: 90
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cell_volume: 88.503
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formula: Hg5 S2 O9
compound: Synthetic
pub_title: Schuetteite, Hg3(SO4)O2, a re-investigation
formula_title: <missing>
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formula: Lu Mn O3
compound: <missing>
pub_title: Hexagonal LuMnO3 revisited
formula_title: LuMnO3
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c: 11.3610
alpha: 90
beta: 90
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cell_volume: 358.702
crystal_density: 7.719
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formula: Pb Mn V O5 H
compound: Synthetic
pub_title: Refinement of pyrobelonite, PbMnIIVO4(OH), a member of the descloizite group
formula_title: <missing>
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b: 6.1790
c: 9.507
alpha: 90
beta: 90
gamma: 90
cell_volume: 449.155
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formula: Yb.5 (Co.5 Ga.5) O2
compound: <missing>
pub_title: Ytterbium cobalt gallium oxide, YbCoGaO4, as grown by the floating zone technique
formula_title: YbCoGaO4
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b: 3.41650
c: 25.1220
alpha: 90
beta: 90
gamma: 120
cell_volume: 253.950
crystal_density: 7.174
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formula: Ba2 Co Se2 O6 Cl2
compound: <missing>
pub_title: Barium cobalt chloride selenite, Ba2CoCl2(SeO3)2
formula_title: Ba2CoCl2(SeO3)2
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b: 12.6454
c: 5.3866
alpha: 90
beta: 90
gamma: 90
cell_volume: 460.701
crystal_density: 4.746
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formula: Mn Te2 O5
compound: <missing>
pub_title: Manganese tellurite, beta-MnTe2O5
formula_title: MnTe2O5
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b: 10.9216
c: 6.1711
alpha: 90
beta: 90
gamma: 90
cell_volume: 492.776
crystal_density: 5.259
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formula: Sm5 Si3 O13
compound: <missing>
pub_title: Samarium orthosilicate oxyapatite, Sm5(SiO4)3O
formula_title: Sm5(SiO4)3O
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b: 9.4959
c: 7.0361
alpha: 90
beta: 90
gamma: 120
cell_volume: 549.458
crystal_density: 6.311
atoms_sites: ["Sm1", "Sm2", "Si", "O1", "O2", "O3", "O4"]
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formula: Pb Cl4
compound: <missing>
pub_title: Lead(IV) chloride at 150 K Note: sample at T = 150 K
formula_title: PbCl4
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b: 5.359
c: 11.958
alpha: 90
beta: 115.83
gamma: 90
cell_volume: 608.067
crystal_density: 3.812
atoms_sites: ["Pb", "Cl1", "Cl2"]
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atoms_z: AAAAAEAd+P9AHfj/
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formula: Ti Cl4
compound: <missing>
pub_title: Titanium(IV) chloride at 150 K Note: Sample at T = 150 K
formula_title: TiCl4
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b: 6.4737
c: 9.682
alpha: 90
beta: 102.168
gamma: 90
cell_volume: 592.483
crystal_density: 2.127
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formula: Ce As O4
compound: Synthetic
pub_title: Cerium arsenate, CeAsO4
formula_title: <missing>
a: 6.9750
b: 7.1770
c: 6.759
alpha: 90
beta: 104.690
gamma: 90
cell_volume: 327.293
crystal_density: 5.663
atoms_sites: ["Ce", "As", "O1", "O2", "O3", "O4"]
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formula: Na2 Se O3
compound: <missing>
pub_title: Sodium selenite, Na2SeO3
formula_title: Na2SeO3
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formula: K Cr Cl O3
compound: <missing>
pub_title: Redetermination of potassium chlorochromate, KCrO3Cl
formula_title: KCrO3Cl
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formula: Na3 Cr2 As3 O12
compound: <missing>
pub_title: Na3Cr2(AsO4)3: trisodium dichromium(III) triarsenate Note: garnet structure
formula_title: Na3Cr2(AsO4)3
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b: 12.188
c: 12.188
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gamma: 90
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crystal_density: 4.327
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formula: Cs Al Mo2 O8
compound: <missing>
pub_title: CsAl(MoO4)2
formula_title: CsAl(MoO4)2
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formula: Na Al Mo2 O8
compound: <missing>
pub_title: NaAl(MoO4)2: a rare structure type among layered yavapaiite-related AM(XO4)2 compounds
formula_title: NaAl(MoO4)2
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formula: Li Cl O H2
compound: <missing>
pub_title: An orthorhombic modification of lithium chloride monohydrate
formula_title: LiCl*H2O
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formula: (Sc2 Ti) O5
compound: <missing>
pub_title: Sc2TiO5, an entropy-stabilized pseudobrookite-type compound
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formula: K Pr F4
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formula_title: KPrF4
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formula: Ba2 Co Si2 O7
compound: <missing>
pub_title: Tetragonal form of barium cobalt disilicate, Ba2CoSi2O7
formula_title: Ba2CoSi2O7
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formula: Li3 Ta O4
compound: <missing>
pub_title: Reinvestigation of beta-Li3TaO4
formula_title: Li3TaO4
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formula: Yb2 Se3
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pub_title: Ytterbium sesquiselenide Yb2Se3
formula_title: Yb2Se3
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b: 11.2720
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formula: Li Mn V O4
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pub_title: LiMnVO4
formula_title: LiMnVO4
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formula: Na3 V S3 O
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pub_title: Na3VOS3
formula_title: Na3VOS3
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formula: Rb2 W S4
compound: <missing>
pub_title: Dirubidium tetrathiotungstate, Rb2[WS4]
formula_title: Rb2[WS4]
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beta: 90
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crystal_density: 3.836
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formula: La N3 O6
compound: <missing>
pub_title: La(NO2)3, a novel (3,9)-connected lanthanide-based network
formula_title: La(NO2)3
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b: 10.6226
c: 4.0954
alpha: 90
beta: 90
gamma: 120
cell_volume: 400.211
crystal_density: 3.447
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formula: Ca K P3 O9
compound: <missing>
pub_title: Calcium potassium cyclo-triphosphate
formula_title: CaKP3O9
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formula: Zn Hg As O5 H
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pub_title: ZnHg(AsO4)(OH) with a descloizite-type structure
formula_title: ZnHg(AsO4)(OH)
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formula: Hg Cl O4 H
compound: <missing>
pub_title: Redetermination of mercury(II) hydroxide chlorate(V)
formula_title: Hg(ClO3)(OH)
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beta: 90
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cell_volume: 380.675
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formula: K Ca C O3 F
compound: <missing>
pub_title: KCaF(CO3) from X-ray powder data
formula_title: KCaF(CO3)
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formula: Ba1.5 V2 P3 O12
compound: <missing>
pub_title: The langbeinite-type barium vanadium(III) orthophosphate, Ba3V4(PO4)6
formula_title: Ba3V4(PO4)6
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b: 9.8825
c: 9.8825
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beta: 90
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formula: K2 Co P2 O8 H6
compound: <missing>
pub_title: Dipotassium cobalt(II) bis(hydrogenphosphite) dihydrate, K2Co(HPO3)2*2H2O
formula_title: K2Co(HPO3)2*2H2O
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b: 5.319
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formula: Eu I Br
compound: <missing>
pub_title: Europium(II) bromide iodide
formula_title: EuIBr
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b: 4.7404
c: 9.799
alpha: 90
beta: 90
gamma: 90
cell_volume: 388.903
crystal_density: 6.128
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formula: Na3 Y Cl6
compound: <missing>
pub_title: Trisodium yttrium(III) hexachloride
formula_title: Na3YCl6
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formula: Na Mg4 As3 O12
compound: <missing>
pub_title: NaMg4(AsO4)3
formula_title: NaMg4(AsO4)3
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b: 6.8170
c: 19.242
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gamma: 90
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formula: Eu B3 O6
compound: <missing>
pub_title: Europium triborate, EuB3O6
formula_title: EuB3O6
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c: 7.8406
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formula: Ce B3 O6
compound: <missing>
pub_title: Cerium triborate, CeB3O6
formula_title: CeB3O6
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c: 7.9300
alpha: 90
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gamma: 90
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formula: V2 O4 Li
compound: Synthetic
pub_title: Lithium divanadate spinel, LiV2O4
formula_title: LiV2O4
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b: 8.2437
c: 8.2437
alpha: 90
beta: 90
gamma: 90
cell_volume: 560.230
crystal_density: 4.098
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formula: Ba5 V3 Cl O12
compound: Synthetic
pub_title: Apatite-type Ba5(VO4)3Cl
formula_title: Ba5(VO4)3Cl
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b: 10.5565
c: 7.7584
alpha: 90
beta: 90
gamma: 120
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formula: La Al O3
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formula: Sr Ga4
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formula: (Na Cd) Zn2 F7
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formula: Mg Te2 O5
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formula: Ca Cl2 O2
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formula: Sr Cl2 O2
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pub_title: Strontium chlorite, Sr(ClO2)2, from X-ray powder diffraction data
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formula: Al2 Si O6 D2
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pub_title:
 A Rietveld refinement using neutron powder diffraction data of a
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formula: Ca3 (Al1.338 Fe.662) Si3 O12
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pub_title: X-ray powder refinement of a natural garnet from Diamantina, Minas Gerais, Brazil
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formula: Sc2 Te3
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formula: S Mg2 C4 Na6 O16
compound: Searles Lake, Trona, San Bernardino County, California, USA
pub_title: Tychite, Na6Mg2(SO4)(CO3)4: Structure analysis and Raman spectroscopic data
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formula: Fe O2 H
compound: Park County, Colorado, USA
pub_title: Goethite, alpha-FeO(OH), from single-crystal data
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formula: Ge.74 V.21 O2
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formula_title: <missing>
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c: 2.8670
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beta: 90
gamma: 90
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pub_title:
 Incorporation of vanadium(V) into the rutile-type phase of GeO2: the solid
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formula_title: Na3Fe2(AsO4)3
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beta: 90
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 L'arseniate Na3Fe2(AsO4)3: etude structurale de la forme basse temperature et
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 Note: garnet structure

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formula: Tl (Cu.644 Ag.356) (Hg1.702 Zn.298) (As1.696 Sb.304) S6
compound: Jas Roux, France
pub_title: Routhierite, Tl(Cu,Ag)(Hg,Zn)2(As,Sb)2S6
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formula: Ca Cu As O5 H
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pub_title: Safflorite, (Co,Ni,Fe)As2, isomorphous with marcasite
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formula: Sb2 O3
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formula: Sb O2
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formula: Ba Ti Si3 O9
compound: Dallas Gem Mine, San Benito, Ca
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formula: Fe3 C
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pub_title: The crystal structure of cementite Note: position of C was incorrectly guessed in this paper
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formula: (La.5 Ce.5) F O2
compound: Western Cheyenne Canyon, Colorado, USA
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pub_title:
 Zur kristallstruktur von bastnasit (Ce,La--)FCO3
 Note: positions of C and at least one O undetermined

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formula: (Ca Na) Sb2 O7 H
compound: St. Marcel, Piemont, Italy
pub_title: Die kristallstruktur von romeit und schneebergit
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formula: Ni S O10 H12
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pub_title: Strukturelle und morphologische zusammenhange bei erzen vom formeltyp ABC2
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formula: Pb2 Sb2 O7
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pub_title: Tetrossido di antimonio e antimoniati
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formula: Sb O2
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pub_title: Tetrossido di antimonio e antimoniati
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formula: Ca2 Sb2 O7
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pub_title: Tetrossido di antimonio e antimoniati
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formula: Sb2 S3
compound: <missing>
pub_title: Die struktur der minerale der animonitgruppe
formula_title: <missing>
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formula: Ni Br2
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pub_title: Die kristallstruktur des nickelbromids und -jodids
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formula: Ni I2
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pub_title: Die kristallstruktur des nickelbromids und -jodids
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formula: Cu K2 O2 Cl4 H4
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formula_title: <missing>
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pub_title:
 Quantitative spectrometric studies of ammonium and of potassium cupric chloride
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pub_title:
 Quantitative Spectrometric studies of ammonium and of potassium cupric chloride
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formula: Cu3 As S4
compound: Philippine Islands
pub_title: The crystal structure of enargite, Cu3AsS4
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formula: Cu12 As4 S13
compound: Lengenbach quarry, Binnatal, Switzerland
formula_title: <missing>
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b: 10.19
c: 10.19
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beta: 90
gamma: 90
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pub_title:
 The crystal structure of binnite, (Cu,Fe)12As4S13, and the chemical composition
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formula: N S O4
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 The atomic arrangement in ammonium and caesium persulphate (NH4)2S2O8 and
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pub_title:
 The atomic arrangement in ammonium and caesium persulphate (NH4)2S2O8 and
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pub_title: The crystal structures of some alkali hydrosulfides and monosulfides
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formula: N S
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pub_title: The crystal structures of some alkali hydrosulfides and monosulfides
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pub_title: The crystal structures of some alkali hydrosulfides and monosulfides
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pub_title: The crystal structures of some alkali hydrosulfides and monosulfides
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pub_title: The crystal structures of some alkali hydrosulfides and monosulfides
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pub_title: The crystal structures of some alkali hydrosulfides and monohydrides
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formula: K S
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pub_title: The crystal structures of some alkali hydrosulfides and monosulfides
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formula: Rb S
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pub_title: The crystal structures of some alkali hydrosulfides and monosulfides
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formula: S K2
compound: <missing>
pub_title: The crystal structures of some alkali hydrosulfides and monosulfides
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formula: Co Cl2
compound: <missing>
pub_title: The structure and colour of anhydrous cobalt chloride, CoCl2, at room and very low temperatures
formula_title: CoCl2
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b: 6.16
c: 6.16
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formula: Li Cl O7 H6
compound: <missing>
pub_title: Crystal structures of some hydrated compounds
formula_title: LiClO4*3H2O
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formula: Li I (O3 H6)
compound: <missing>
pub_title: Crystal structures of some hydrated compounds
formula_title: LiI*3H2O
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formula: Si F6 N2
compound: <missing>
pub_title: Das kristallgitter von ammoniumhexafluorosilikat (NH4)2SiF6
formula_title: (NH4)2SiF6
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formula: N2 Be F4
compound: <missing>
pub_title: The crystal structure of ammonium beryllium fluoride, (NH4)2BeF4
formula_title: (NH4)2BeF4
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b: 10.2
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formula: Fe Ti O3
compound: Quincy, Massachusetts, USA
pub_title: The crystal structure of ilmenite
formula_title: <missing>
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formula: Ni Ti O3
compound: <missing>
pub_title: Notes on some structures of the ilmenite type
formula_title: NiTiO3
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formula: Cd Ti O3
compound: <missing>
pub_title: Notes on some structures of the ilmenite type
formula_title: CdTiO3
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formula: Pd N4 Cl2 (O H2)
compound: <missing>
pub_title: The crystal structure of tetramminopalladous chloride Pd(NH3)4Cl2*H2O
formula_title: Pd(NH3)4Cl2*H2O
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formula: Te (O6 H6)
compound: <missing>
pub_title: Das kristallgitter der tellursaure TeO6H6
formula_title: TeO6H6
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formula: Al Si2 O6 H
compound: Tres Cerritos, Mariposa County, California, USA
pub_title: The crystal structures of talc and pyrophyllite
formula_title: <missing>
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formula: Bi2 Te2 S
compound: Hungary
pub_title: The crystal structure of the mineral tetradymite, Bi2Te2S
formula_title: <missing>
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c: 10.33
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gamma: 24.17
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formula: Mn S2
compound: <missing>
pub_title: A redetermination of the parameter for hauerite, MnS2
formula_title: <missing>
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c: 6.097
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formula: Cu2 Fe Sn S4
compound: Oruro, Bolivia
pub_title: The crystal structure of stannite, Cu2FeSnS4
formula_title: <missing>
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c: 10.725
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formula: Hg Cl2
compound: <missing>
pub_title: Die kristallstruktur des quecksilberchlorids HgCl2
formula_title: HgCl2
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b: 12.735
c: 4.325
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formula: Li2 S O5 H2
compound: <missing>
pub_title: The crystal structure of lithium sulphate mono-hydrate, Li2SO4*H2O
formula_title: Li2SO4*H2O
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formula: Na6 S2 O8 Cl F
compound: <missing>
pub_title: The crystal structure of sulphohalite
formula_title: <missing>
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b: 10.08
c: 10.08
alpha: 90
beta: 90
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formula: K2 S3 O6
compound: <missing>
formula_title: K2S3O6
a: 9.77
b: 13.63
c: 5.76
alpha: 90
beta: 90
gamma: 90
cell_volume: 767.031
crystal_density: 2.341
atoms_sites: ["K1", "K2", "S1", "S2", "S3", "O1", "O2", "O3", "O4"]
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pub_title:
 The atomic arrangement in potassium trithionate crystals K2S3O6 and the
 structure of the trithionate radical (S3O6)-2

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formula: Bi Au2
compound: Synthetic
pub_title: The crystal structure of Au2Bi
formula_title: <missing>
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b: 7.942
c: 7.942
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formula: Al.666 O
compound: Synthetic
pub_title: Structure of the electrolytical oxide layer on aluminium Note: known as gamma-Al2O3
formula_title: Al2O3
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b: 3.95
c: 3.95
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beta: 90
gamma: 90
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formula: Al As O4
compound: <missing>
pub_title: Die kristallstruktur von tiefquarz SiO2 und aluminiumorthoarsenat AlAsO4
formula_title: <missing>
a: 5.03
b: 5.03
c: 11.22
alpha: 90
beta: 90
gamma: 120
cell_volume: 245.844
crystal_density: 3.362
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formula: Cd N2 Cl2
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pub_title: Die kristallstruktur der cadmium-und quecksilber-diammin-dihalogenide
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formula: Cd N2 Br2
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formula: Hg N2 Cl2
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formula: Mn O2
compound: Ilfeld, Germany
pub_title: The symmetry and crystal structure of manganite, Mn(OH)O
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formula: Ca6 Al7 O16
compound: <missing>
pub_title: Die struktur des pentacalciumtrialuminats
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formula: Pd S
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formula: Sb2 O3
compound: <missing>
pub_title: The crystal structure of valentinite
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formula: Na Al As O4 F
compound: Durango, Mexico
pub_title: Uber die struktur des durangit NaAlF[AsO4]
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formula: Fe O2
compound: Synthetic
pub_title: Uber die kristallstruktur von alpha-AlOOH (diaspore) und alpha-Fe OOH(nadeleisenerz)
formula_title: <missing>
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formula: Al O2
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pub_title: Uber die kristallstruktur von alpha-AlOOH (diaspore). II. Fourieranalyse
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formula: Cu2 Se
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pub_title: Gitterumwandlungen im system Cu2-x Se
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formula: Cu1.8 Se
compound: <missing>
pub_title: Gitterumwandlungen im System Cu2-x Se
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formula: (Fe Mn) O3
compound: <missing>
pub_title: Die kristallstruktur des bixbyits (Fe,Mn)2O3
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formula: Cu Ag Se
compound: Skrikerum, Sweden
pub_title: The crystallography of eucairite, CuAgSe Sample: orthorhombic subcell
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formula: Cu Ag Se
compound: Skrikerum, Sweden
pub_title: The crystallography of eucairite, CuAgSe Sample: tetragonal subcell
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formula: Pb Ag Sb S3
compound: Hiendelaencina, Spain
pub_title: Uber komplex zusammengesetzte sulfidische erze. II. Zur struktur des freieslebenits, PbAgSbS3
formula_title: <missing>
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formula: Ag2 S
compound: Freiberg, Saxony, Germany
pub_title: The crystallography of silver sulfide, Ag2S
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c: 7.87
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gamma: 90
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formula: Sb2 S3
compound: Synthetic
pub_title: The crystal structure of stibnite. A redetermination of atomic positions
formula_title: <missing>
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b: 11.33
c: 3.83
alpha: 90
beta: 90
gamma: 90
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formula: (Mn.85 Fe.15) Be P O5 H
compound: the Viitaniemi pegmatite in the parish of Erajarvi in central Finland
formula_title: <missing>
a: 5.411
b: 14.49
c: 4.730
alpha: 90
beta: 102.75
gamma: 90
cell_volume: 361.713
crystal_density: 3.233
atoms_sites: ["Mn", "Fe", "Be", "P", "O1", "O2", "O3", "O4", "O-H"]
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pub_title:
 The crystal structures and crystal chemistry of vayrynenite,
 (Mn,Fe)Be(PO4)(OH), and euclase, AlBe(SiO4)(OH)

qdat:
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formula: Al Be Si O5 H
compound: Villa Rica, Minas Gerais, Brazil
formula_title: <missing>
a: 4.763
b: 14.29
c: 4.618
alpha: 90
beta: 100.25
gamma: 90
cell_volume: 309.300
crystal_density: 3.116
atoms_sites: ["Al", "Be", "Si", "O1", "O2", "O3", "O4", "O-H"]
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pub_title:
 The crystal structures and crystal chemistry of vayrynenite,
 (Mn,Fe)Be(PO4)(OH), and euclase, AlBe(SiO4)(OH)

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formula: Al2 O3
compound: Synthetic
pub_title: Refinement of the alpha Al2O3, Ti2O3, V2O3 and Cr2O3 structures
formula_title: <missing>
a: 4.7589
b: 4.7589
c: 12.991
alpha: 90
beta: 90
gamma: 120
cell_volume: 254.792
crystal_density: 3.987
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formula: Ti2 O3
compound: Synthetic
pub_title: Refinement of the alpha Al2O3, Ti2O3, V2O3 and Cr2O3 structures
formula_title: <missing>
a: 5.149
b: 5.149
c: 13.642
alpha: 90
beta: 90
gamma: 120
cell_volume: 313.224
crystal_density: 4.573
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formula: V2 O3
compound: Synthetic
pub_title: Refinement of the alpha Al2O3, Ti2O3, V2O3 and Cr2O3 structures
formula_title: <missing>
a: 4.952
b: 4.952
c: 14.002
alpha: 90
beta: 90
gamma: 120
cell_volume: 297.360
crystal_density: 5.022
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formula: Cr2 O3
compound: Synthetic
pub_title: Refinement of the alpha Al2O3, Ti2O3, V2O3 and Cr2O3 structures
formula_title: <missing>
a: 4.9607
b: 4.9607
c: 13.599
alpha: 90
beta: 90
gamma: 120
cell_volume: 289.817
crystal_density: 5.225
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formula: Ga
compound: <missing>
pub_title: A refinement of the crystal structure of gallium
formula_title: <missing>
a: 4.523
b: 7.661
c: 4.524
alpha: 90
beta: 90
gamma: 90
cell_volume: 156.760
crystal_density: 5.909
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formula: Bi P O4
compound: Synthetic
pub_title: Polymorphic forms of bismuth phosphate
formula_title: <missing>
a: 6.966
b: 6.966
c: 6.460
alpha: 90
beta: 90
gamma: 120
cell_volume: 271.475
crystal_density: 5.578
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qdat:
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formula: Bi P O4
compound: <missing>
formula_title: BiPO4
a: 4.88
b: 7.06
c: 4.71
alpha: 90
beta: 96.3
gamma: 90
cell_volume: 161.293
crystal_density: 6.258
atoms_sites: ["Bi", "P", "O1", "O2", "O3", "O4"]
atoms_x: AMoIAMDrEgCAbQ0AgJcGAGAMJQCATxIA
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atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Polymorphic forms of bismuth phosphate
 Note: this is a high-temperature form, with the monazite structure

qdat:
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formula: Sn S O4
compound: <missing>
pub_title: The crystal structure of the anhydrous stannous sulphate
formula_title: SnSO4
a: 8.799
b: 5.319
c: 7.115
alpha: 90
beta: 90
gamma: 90
cell_volume: 332.995
crystal_density: 4.284
atoms_sites: ["Sn", "S", "O1", "O2", "O3"]
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formula: Si O2
compound: <missing>
formula_title: <missing>
a: 5.01
b: 5.01
c: 5.47
alpha: 90
beta: 90
gamma: 120
cell_volume: 118.903
crystal_density: 2.517
atoms_sites: ["Si", "O"]
atoms_x: gIQeAGDqGQA=
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atoms_aniso_u13: AAAAAEDt//8=
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pub_title:
 Die struktur des hochquarzes
 Note: sample is at T = 650 deg C
 Note: symmetry constraints on the temperature factors were applied incorrectly

qdat:
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formula: Si O2
compound: <missing>
formula_title: <missing>
a: 5.01
b: 5.01
c: 5.47
alpha: 90
beta: 90
gamma: 120
cell_volume: 118.903
crystal_density: 2.517
atoms_sites: ["Si", "O"]
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atoms_aniso_u12: 0BEAANgOAAA=
atoms_aniso_u13: 2NL//0Dt//8=
atoms_aniso_u23: 2KX//6AFAAA=
pub_title:
 Die struktur des hochquarzes
 Note: sample is at T = 650 deg C, under the false assumption that it is twinned

qdat:
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formula: (Al1.82 Cr.18) O3
compound: <missing>
pub_title: Strukturuntersuchungen im system Al2O3-Cr2O3
formula_title: <missing>
a: 5.128
b: 5.128
c: 5.128
alpha: 55.27
beta: 55.27
gamma: 55.27
cell_volume: 84.870
crystal_density: 4.166
atoms_sites: ["Al", "Cr", "O"]
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formula: Cr2 O3
compound: <missing>
pub_title: Strukturuntersuchungen im system Al2O3-Cr2O3
formula_title: <missing>
a: 5.359
b: 5.359
c: 5.359
alpha: 55.13
beta: 55.13
gamma: 55.13
cell_volume: 96.502
crystal_density: 5.231
atoms_sites: ["Cr", "O"]
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formula: Zn.79 Mg.235 Al1.9 Fe.075 O4
compound: Falun, Sweden
pub_title: Strukturdaten von gahnit, ZnAl2O4
formula_title: <missing>
a: 8.099
b: 8.099
c: 8.099
alpha: 90
beta: 90
gamma: 90
cell_volume: 531.244
crystal_density: 4.422
atoms_sites: ["Zn", "Mg", "Al", "Mg", "Fe", "O"]
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formula: As I3
compound: <missing>
pub_title: The crystal structure of arsenic triiodide, AsI3
formula_title: AsI3
a: 7.208
b: 7.208
c: 21.436
alpha: 90
beta: 90
gamma: 120
cell_volume: 964.504
crystal_density: 4.707
atoms_sites: ["As", "I"]
atoms_x: AAAAAFBFFQA=
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formula: As I3
compound: <missing>
pub_title: The crystal structure of arsenic triiodide, AsI3
formula_title: AsI3
a: 8.269
b: 8.269
c: 8.269
alpha: 51.683
beta: 51.683
gamma: 51.685
cell_volume: 321.561
crystal_density: 4.706
atoms_sites: ["As", "I"]
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formula: Na2 S (O9 H18)
compound: <missing>
pub_title: Die struktur von Na2S*9H2O und Na2Se*9H2O
formula_title: Na2S*9H2O
a: 9.331
b: 9.331
c: 12.850
alpha: 90
beta: 90
gamma: 90
cell_volume: 1118.818
crystal_density: 1.426
atoms_sites: ["Na1", "Na2", "S", "Wat1", "Wat2", "Wat3", "Wat4", "Wat5"]
atoms_x: gIQeAOD4CACAhB4AQOIeAMCYCwDgAxwA4DMUAIBPEgA=
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formula: Na2 Se (O9 H18)
compound: <missing>
pub_title: Die struktur von Na2S*9H2O und Na2Se*9H2O
formula_title: Na2Se*9H2O
a: 9.496
b: 9.496
c: 13.057
alpha: 90
beta: 90
gamma: 90
cell_volume: 1177.402
crystal_density: 1.620
atoms_sites: ["Na1", "Na2", "Se", "Wat1", "Wat2", "Wat3", "Wat4", "Wat5"]
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formula: Na2 S (O5 H10)
compound: <missing>
pub_title: Die kristallstruktur von Na2S*5H2O, Na2Se*5H2O und Na2Te*5H2O
formula_title: Na2S*5H2O
a: 6.475
b: 12.545
c: 8.655
alpha: 90
beta: 90
gamma: 90
cell_volume: 703.036
crystal_density: 1.588
atoms_sites: ["Na1", "Na2", "S", "Wat1", "Wat2"]
atoms_x: AAAAAICEHgAAAAAAAAAAAMD9DwA=
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qdat:
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formula: Na2 Se (O5 H10)
compound: <missing>
pub_title: Die kristallstruktur von Na2S*5H2O, Na2Se*5H2O und Na2Te*5H2O
formula_title: Na2Se(H2O)5
a: 6.569
b: 12.873
c: 8.912
alpha: 90
beta: 90
gamma: 90
cell_volume: 753.623
crystal_density: 1.895
atoms_sites: ["Na1", "Na2", "Se", "Wat1", "Wat2"]
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formula: Na2 Te (O5 H10)
compound: <missing>
pub_title: Die kristallstruktur von Na2S*5H2O, Na2Se*5H2O und Na2Te*5H2O
formula_title: Na2Te(H2O)5
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formula: Pb Mo O4
compound: Los Lamentos, Mexico
pub_title: A neutron crystallographic investigation of lead molybdenum oxide, PbMoO4
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formula: Sr S O4
compound: France Stone Company's quarry near Waterville, Ohio, USA
pub_title: Refinement of the structure of celestite SrSO4
formula_title: <missing>
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formula: Si O2
compound: Ellora, Hyderabad, India
pub_title: Reinvestigation of the structure of low cristobalite
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formula: Co3 B2 O6
compound: <missing>
pub_title: Neutron-diffraction study of Co3B2O6
formula_title: Co3B2O6
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formula: V2 Ga5
compound: <missing>
pub_title: The crystal structure of V2Ga5
formula_title: V2Ga5
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formula: La F3
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pub_title: Die kristallstruktur von lanthantrifluorid
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formula: Bi4 Si3 O12
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pub_title: Neutron-diffraction study of Bi4Si3O12
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formula: Zn2 P O5 H
compound: Broken Hill, Rhodesia
pub_title: The crystal structure of tarbuttite, Zn2(OH)PO4
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formula: Cu3 (As.685 Sb.315) S4
compound: Cerro de Pasco, Peru
pub_title: A refinement of the crystal structure of luzonite, Cu3AsS4
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formula: Zn2 Cu As2 O8
compound: <missing>
pub_title: Die struktur des stranskiits Zn2Cu(AsO4)2
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formula: Sc2 O3
compound: Synthetic
pub_title: Refinement of the structure of scandium sesquioxide
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formula: Zn2 Si O5 H2
compound: sample is from the same batch of crystals used by
pub_title: Refinement of the structure of hemimorphite Barclay and Cox (1960) Note: Photographic Data
formula_title: <missing>
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formula: Fe W O4
compound: <missing>
pub_title: Untersuchungen zur kristallstruktur und magnetischen struktur des ferberits FeWO4
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formula: Te O2
compound: Moctezuma, Mexico
pub_title: Verfeinerung der kristallstruktur von tellurit, dem rhomischen TeO2
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b: 5.464
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formula: Ba N2 O6
compound: Synthetic
pub_title: Erneute strukturbestimmung von bariumnitrat mit neutronenbeugung
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formula: Fe4 As3 O21 H10
compound: Cornwall, England
formula_title: <missing>
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b: 7.9816
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beta: 90
gamma: 90
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crystal_density: 2.594
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pub_title:
 The structure and composition of the mineral pharmacosiderite
 Note: the K atom could not be located

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formula: (Mn.97 Fe.03) W O4
compound: Henderson, North Carolina, USA
pub_title: Kristallstruktur und magnetische ordnung des hubnerits, MnWO4 Note: T = 4.2 K
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formula: Al O3 H3
compound: <missing>
pub_title: Verfeinerung der struktur des bayerits, Al(OH)3
formula_title: <missing>
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formula: Cs B12 Be4 Al4 O28
compound: Manjaka, Madagascar
formula_title: <missing>
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beta: 90
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pub_title:
 The crystal struture of rhodizite
 Note: name of mineral altered according to IMA decision in 1999
 to name the Cs dominant phase: londonite

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formula: Pb Ag As S3
compound: Lengenbach quarry, Binnatal, Switzerland
pub_title: The crystal structure of marrite, PbAgAsS3
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formula: (Na.667 Ca.222 Mg.111) Cl2
compound: <missing>
formula_title: <missing>
a: 4.072
b: 4.072
c: 32.64
alpha: 90
beta: 90
gamma: 120
cell_volume: 468.701
crystal_density: 1.040
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pub_title:
 Die kristallstruktur des koenenits, eine doppelschichtstruktur mit zwei
 inkommensurablen teilgittern
 Note: one of two substructures in koenenite

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formula: (Mg.636 Al.364) (O2 H2)
compound: <missing>
formula_title: <missing>
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b: 3.052
c: 10.880
alpha: 90
beta: 90
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pub_title:
 Die kristallstruktur des koenenits, eine doppelschichtstruktur mit zwei
 inkommensurablen teilgittern
 Note: one of two substructures in koenenite

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formula: Li2 (Si.5 Ge1.5) O5
compound: <missing>
pub_title: Die kristallstruktur von Li2(Si0.25Ge0.75)2O5
formula_title: Li2(Si.25Ge.75)2O5
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formula: Li (Al Si2) O6
compound: Synthetic
formula_title: <missing>
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alpha: 90
beta: 90
gamma: 90
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pub_title:
 The crystal structure LiAlSi2O6-II ("beta spodumene")
 Note, y coordinate of Si1 altered according to Clarke and Spink (1969)

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formula: Rh3 Se8
compound: <missing>
pub_title: The crystal structure of pyrite-related Rh3Se8
formula_title: Rh3Se8
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b: 5.9648
c: 5.9648
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formula: Bi Mn2 O5
compound: <missing>
pub_title: The crystal structures of Bi2Mn4O10, Bi2Al4O9 and Bi2Fe4O9
formula_title: Bi2Mn4O10
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formula: Bi2 Al4 O9
compound: <missing>
pub_title: The crystal structures of Bi2Mn4O10, Bi2Al4O9 and Bi2Fe4O9
formula_title: Bi2Al4O9
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c: 5.708
alpha: 90
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formula: Bi2 Fe4 O9
compound: <missing>
pub_title: The crystal structures of Bi2Mn4O10, Bi2Al4O9 and Bi2Fe4O9
formula_title: Bi2Fe4O9
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alpha: 90
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formula: (K.85 Na.15) (Al Si2) O6
compound: Vesuvius, Italy
formula_title: <missing>
a: 13.53
b: 13.53
c: 13.53
alpha: 90
beta: 90
gamma: 90
cell_volume: 2476.814
crystal_density: 2.315
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pub_title:
 A high temperature single crystal diffractometer study of leucite, (K,Na)AlSi2O6
 Sample: T = 635 C
 Note: cell parameters were not reported in the paper. A value was chosen
 that reproduced the reported bond lengths and thermal ellipsoid axes.

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formula: Li.333 (Al.333 Si.667) O2
compound: <missing>
pub_title: The crystal structure of LiAlSi2O6 III (high-quartz solid solution)
formula_title: <missing>
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formula: Li4 Ge O4
compound: <missing>
pub_title: Die kristallstruktur von Li4GeO4
formula_title: Li4GeO4
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b: 6.05
c: 7.36
alpha: 90
beta: 90
gamma: 90
cell_volume: 345.537
crystal_density: 3.160
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formula: Hg I2
compound: Synthetic
formula_title: <missing>
a: 8.776
b: 8.776
c: 24.732
alpha: 90
beta: 90
gamma: 90
cell_volume: 1904.813
crystal_density: 6.338
atoms_sites: ["Hg", "I1", "I2", "I3"]
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pub_title:
 The crystal structure and one-dimensional disorder of the orange
 modification of HgI2
 Note: this is a polymorph of coccinite

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formula: Pb9 As4 S15
compound: Wiesloch, Germany
pub_title: Neubestimmung der kristallstruktur von gratonit, Pb9As4S15
formula_title: <missing>
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beta: 90
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formula: Li2 Zn Cl4 (O2 H4)
compound: <missing>
pub_title: Die kristallstruktur des Li2ZnCl4*2H2O
formula_title: Li2ZnCl4*2H2O
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b: 11.98
c: 6.44
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gamma: 90
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crystal_density: 2.162
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formula: Sr (O2 H2)
compound: <missing>
pub_title: Neue AB2-strukturtypen mit siebenfach koordiniertem kation
formula_title: Sr(OH)2
a: 9.889
b: 6.1202
c: 3.9184
alpha: 90
beta: 90
gamma: 90
cell_volume: 237.152
crystal_density: 3.407
atoms_sites: ["Sr", "O-H1", "O-H2"]
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formula: Eu I2
compound: <missing>
pub_title: Neue AB2-strukturtypen mit siebenfach koordiniertem kation
formula_title: EuI2
a: 7.64
b: 8.26
c: 7.88
alpha: 90
beta: 98.
gamma: 90
cell_volume: 492.439
crystal_density: 5.473
atoms_sites: ["Eu", "I1", "I2"]
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formula: Sr I2
compound: <missing>
pub_title: Neue AB2-strukturtypen mit siebenfach koordiniertem kation
formula_title: SrI2
a: 15.22
b: 8.22
c: 7.90
alpha: 90
beta: 90
gamma: 90
cell_volume: 988.356
crystal_density: 4.589
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formula: Ba N6
compound: <missing>
pub_title: Strukturuntersuchungen an bariumazid Ba(N3)2
formula_title: Ba(N3)2
a: 9.63
b: 4.41
c: 5.43
alpha: 90
beta: 99.57
gamma: 90
cell_volume: 227.394
crystal_density: 3.233
atoms_sites: ["Ba", "N1", "N2", "N3", "N4", "N5", "N6"]
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formula: Ag As S2
compound: Lengenbach quarry, Binnatal, Canton Wallis, Switzerland
pub_title: The crystal structure of trechmannite, AgAsS2
formula_title: <missing>
a: 13.98
b: 13.98
c: 9.12
alpha: 90
beta: 90
gamma: 120
cell_volume: 1543.618
crystal_density: 4.781
atoms_sites: ["Ag", "As", "S1", "S2"]
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formula: Ba Ti Si3 O9
compound: <missing>
formula_title: <missing>
a: 6.6410
b: 6.6410
c: 9.759
alpha: 90
beta: 90
gamma: 120
cell_volume: 372.737
crystal_density: 3.684
atoms_sites: ["Ba", "Ti", "Si", "O1", "O2"]
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atoms_z: AAAAAAAAAABAQg8AQEIPALjhBgA=
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atoms_aniso_u12: GB8AAJAuAAC4PQAA
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atoms_aniso_u23: AAAAAAAAAACYPwAA
pub_title:
 Verfeinerung der kristallstruktur von benitoit BaTi[Si3O9]
 Sample: Dallas Gem Mine, San Benito, Ca

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formula: Cu La O2
compound: <missing>
pub_title: Cu1+-haltige doppeloxide mit seltenen erdmetallen
formula_title: CuLaO2
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b: 3.83
c: 17.10
alpha: 90
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gamma: 120
cell_volume: 217.232
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formula: Cu Pr O2
compound: <missing>
pub_title: Cu1+-haltige doppeloxide mit seltenen erdmetallen
formula_title: CuPrO2
a: 3.75
b: 3.75
c: 17.09
alpha: 90
beta: 90
gamma: 120
cell_volume: 208.130
crystal_density: 5.660
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formula: Cu Nd O2
compound: <missing>
pub_title: Cu1+-haltige doppeloxide mit seltenen erdmetallen
formula_title: CuNdO2
a: 3.71
b: 3.71
c: 17.10
alpha: 90
beta: 90
gamma: 120
cell_volume: 203.833
crystal_density: 5.860
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formula: Cu Sm O2
compound: <missing>
pub_title: Cu1+-haltige doppeloxide mit seltenen erdmetallen
formula_title: CuSmO2
a: 3.66
b: 3.66
c: 17.08
alpha: 90
beta: 90
gamma: 120
cell_volume: 198.144
crystal_density: 6.182
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formula: Cu Eu O2
compound: <missing>
pub_title: Cu1+-haltige doppeloxide mit seltenen erdmetallen
formula_title: CuEuO2
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b: 3.63
c: 17.07
alpha: 90
beta: 90
gamma: 120
cell_volume: 194.795
crystal_density: 6.330
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formula: (Cs1.5 Na.5) (Si4 Al2) O12.5 H
compound: Rumford, Maine, USA
pub_title: The crystal structure and chemical composition of pollucite
formula_title: <missing>
a: 13.69
b: 13.69
c: 13.69
alpha: 90
beta: 90
gamma: 90
cell_volume: 2565.726
crystal_density: 2.993
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formula: Zn N2 O8 H4
compound: <missing>
pub_title: Die kristallstruktur von Zn(NO3)2*2H2O
formula_title: Zn(NO3)2(H2O)2
a: 5.754
b: 5.978
c: 8.557
alpha: 90
beta: 91.03
gamma: 90
cell_volume: 294.291
crystal_density: 2.544
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formula: Si O2
compound: Synthetic
pub_title: Refinement of a coesite structure
formula_title: <missing>
a: 7.173
b: 12.328
c: 7.175
alpha: 90
beta: 120.00
gamma: 90
cell_volume: 549.472
crystal_density: 2.905
atoms_sites: ["Si1", "Si2", "O1", "O2", "O3", "O4", "O5"]
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formula: Mn3 Fe2 Ge3 O12
compound: <missing>
pub_title: Crystal structure of the garnet {Mn3}[Fe2](Ge3)O12
formula_title: Mn3Fe2Ge3O12
a: 12.087
b: 12.087
c: 12.087
alpha: 90
beta: 90
gamma: 90
cell_volume: 1765.857
crystal_density: 5.163
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formula: K Zr2 P3 O12
compound: Synthetic
pub_title: The crystal structure of KZr2(PO4)3
formula_title: <missing>
a: 8.71
b: 8.71
c: 23.89
alpha: 90
beta: 90
gamma: 120
cell_volume: 1569.578
crystal_density: 3.215
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