# cif

formula: Al2 Si O4 F2
compound: Ouro Preto, Minas Gerias, Brazil
formula_title: <missing>
a: 4.6601
b: 8.8260
c: 8.3778
alpha: 90
beta: 90
gamma: 90
cell_volume: 344.579
crystal_density: 3.548
atoms_sites: ["Al", "Si", "O1", "O2", "O3", "F4"]
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pub_title:
 New insight into crystal chemistry of topaz: a multi-methodological study
 Sample: X-ray refinement at T = 298 K
 Note: x(F4) corrected

qdat:
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formula: Ca1.838 Pb3.162 (P2.721 As.279) O12 Cl
compound: Capitana mine, Copiapo, Atacama Province, Chile
formula_title: <missing>
a: 9.857
b: 9.857
c: 7.130
alpha: 90
beta: 90
gamma: 120
cell_volume: 599.943
crystal_density: 5.876
atoms_sites: ["Ca1", "Pb1", "Pb2", "P", "As", "O1", "O2", "O3", "Cl"]
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pub_title:
 Phosphohedyphane, Ca2Pb3(PO4)3Cl, the phosphate analogue of hedyphane:
 Description and crystal structure

qdat:
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formula: Pb3 Mo O5 Cl2
compound: <missing>
formula_title: Pb3MoO5Cl2
a: 11.0116
b: 13.1149
c: 5.59485
alpha: 90
beta: 90
gamma: 90
cell_volume: 807.986
crystal_density: 7.139
atoms_sites: ["Pb1", "Pb2", "Mo", "O1", "O2", "Cl1", "Cl2"]
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pub_title:
 Synthesis of novel lead - molybdenum and tungsten oxyhalides with the pinalite
 structure, Pb3MoO5Cl2 and Pb3WO5Br2

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formula: Mg.994 Al1.992 Mn.015 O4
compound: <missing>
formula_title: <missing>
a: 8.0883
b: 8.0883
c: 8.0883
alpha: 90
beta: 90
gamma: 90
cell_volume: 529.141
crystal_density: 3.583
atoms_sites: ["MgT", "AlT", "Mn2+T", "Mn3+T", "AlM", "MgM", "Mn2+M", "Mn3+M", "O"]
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pub_title:
 Structural refinement and crystal chemistry of Mn-doped spinel: A case for
 tetrahedrally coordinated Mn3+ in an oxygen-based structure
 Sample: MgMn01

qdat:
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formula: Si O2
compound: Yangkou meta-igneous complex in the middle part of the Sulu UHP terrain, eastern China
formula_title: <missing>
a: 7.140
b: 12.371
c: 7.175
alpha: 90
beta: 120.34
gamma: 90
cell_volume: 546.962
crystal_density: 2.919
atoms_sites: ["Si1", "Si2", "O1", "O2", "O3", "O4", "O5"]
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pub_title:
 First in situ X-ray diffraction identification of coesite and retrograde quartz on a glass
 thin section of an ultrahigh-pressure metamorphic rock and their crystal structure details
 Note: Sample is on a thin section

qdat:
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formula: Si O2
compound: Yangkou meta-igneous complex in the middle part of the Sulu UHP terrain, eastern China
formula_title: <missing>
a: 4.923
b: 4.923
c: 5.409
alpha: 90
beta: 90
gamma: 120
cell_volume: 113.529
crystal_density: 2.636
atoms_sites: ["Si", "O"]
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pub_title:
 First in situ X-ray diffraction identification of coesite and retrograde quartz on a glass
 thin section of an ultrahigh-pressure metamorphic rock and their crystal structure details
 Note: Sample is on a thin section

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formula: (Zn1.99 Al1.01) Sb O12 H12
compound: Lucchetti marble quarry, Fantiscritti marble basin, Carrara, Apuan
formula_title: <missing>
a: 5.3270
b: 5.3270
c: 9.792
alpha: 90
beta: 90
gamma: 120
cell_volume: 240.640
crystal_density: 3.334
atoms_sites: ["Zn", "Al", "Al", "Zn", "Sb", "O1", "O2", "H1", "H2"]
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pub_title:
 Zincalstibite, a new mineral, and cualstibite: Crystal chemical and structural
 relationships
 Alps, Tuscany, Italy

qdat:
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formula: Fe.437 Mn.356 Mg.16 Ca.017 Cr.019 Zn.001 S
compound: Zaklodzie enstatite achondrite meteorite
pub_title: New chemical and physical data on keilite from the Zaklodzie enstatite achondrite
formula_title: <missing>
a: 5.1717
b: 5.1717
c: 5.1717
alpha: 90
beta: 90
gamma: 90
cell_volume: 138.325
crystal_density: 3.921
atoms_sites: ["Fe", "Mn", "Mg", "Ca", "Cr", "Zn", "S"]
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qdat:
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formula: Na.29 Mn O2.691 H1.381
compound: Synthetic
formula_title: <missing>
a: 5.1780
b: 2.8509
c: 7.3344
alpha: 89.45
beta: 103.18
gamma: 89.91
cell_volume: 105.412
crystal_density: 3.341
atoms_sites: ["Na", "Mn", "O", "Wat"]
atoms_x: IFr+/wAAAABgfxYAIFr+/w==
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pub_title:
 Time-resolved structural analysis of K-and Ba-exchange reactions with synthetic
 Na-birnessite using synchrotron X-ray diffraction
 Sample: Na-birnessite

qdat:
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formula: K.23 Mn O2.776 H1.552
compound: Synthetic
formula_title: <missing>
a: 5.1371
b: 2.8476
c: 7.2131
alpha: 89.96
beta: 100.75
gamma: 89.702
cell_volume: 103.663
crystal_density: 3.521
atoms_sites: ["K", "Mn", "O", "Wat"]
atoms_x: 0Mz0/wAAAADQrxYA0Mz0/w==
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pub_title:
 Time-resolved structural analysis of K-and Ba-exchange reactions with synthetic
 Na-birnessite using synchrotron X-ray diffraction
 Sample: K-birnessite

qdat:
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formula: Ba.145 Mn O2.444 H.888
compound: Synthetic
formula_title: Ba.29Mn2O4*.888H2O
a: 5.1711
b: 2.8476
c: 7.3076
alpha: 89.516
beta: 102.957
gamma: 89.897
cell_volume: 104.862
crystal_density: 3.637
atoms_sites: ["Ba", "Mn", "O", "Wat"]
atoms_x: YJUjAAAAAACQDRcAYJUjAA==
atoms_y: UMYMAAAAAACwKf7/UMYMAA==
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pub_title:
 Time-resolved structural analysis of K-and Ba-exchange reactions with synthetic
 Na-birnessite using synchrotron X-ray diffraction
 Sample: Ba-birnessite

qdat:
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formula: Si C
compound: 150 km NW from Izmir, Turkey
pub_title: The 6H-SiC structure model: Further refinement from SCXRD data from a terrestrial moissanite
formula_title: <missing>
a: 3.0810
b: 3.0810
c: 15.1248
alpha: 90
beta: 90
gamma: 120
cell_volume: 124.338
crystal_density: 3.213
atoms_sites: ["Si1", "Si2", "Si3", "C1", "C2", "C3"]
atoms_x: AAAAAFVYFACrsCgAVVgUAKuwKAAAAAAA
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formula: Al2.28 Si.72 O4.86
compound: <missing>
pub_title: Cobalt incorporation in mullite Sample: MU0
formula_title: <missing>
a: 7.5520
b: 7.6872
c: 2.8843
alpha: 90
beta: 90
gamma: 90
cell_volume: 167.444
crystal_density: 3.163
atoms_sites: ["AlM1", "AlT", "SiT", "AlT*", "Oab", "Od", "Oc", "Oc*"]
atoms_x: AAAAANAcCQDQHAkAAB0QAHDeFQAQxQcAgIQeAICWGwA=
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formula: Al2.25 Co.015 Si.735 O4.86
compound: <missing>
pub_title: Cobalt incorporation in mullite Sample: MU1
formula_title: <missing>
a: 7.5618
b: 7.6882
c: 2.8860
alpha: 90
beta: 90
gamma: 90
cell_volume: 167.782
crystal_density: 3.167
atoms_sites: ["AlM1", "CoM1", "AlT", "SiT", "AlT*", "Oab", "Od", "Oc", "Oc*"]
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qdat:
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formula: Ca Ge2 O5
compound: <missing>
pub_title: A new high-pressure CaGe2O5 polymorph with 5- and 6-coordinated germanium
formula_title: CaGe2O5
a: 7.306
b: 8.268
c: 5.714
alpha: 90
beta: 90
gamma: 90
cell_volume: 345.160
crystal_density: 5.105
atoms_sites: ["Ca", "Ge1", "Ge2", "O1", "O2", "O3", "O4"]
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atoms_aniso_label: ["Ca", "Ge1", "Ge2", "O1", "O2", "O3", "O4"]
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pub_title: Low-temperature behavior of NaGaSi2O6 Sample: T = 295 K
formula_title: NaGaSi2O6
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pub_title:
 Light-induced alteration of arsenic sulfides: A new product having an
 orthorhombic crystal structure

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formula: Ba Si O3
compound: <missing>
formula_title: BaSiO3
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b: 5.3002
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alpha: 90
beta: 90
gamma: 120
cell_volume: 467.961
crystal_density: 6.816
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pub_title:
 Rhombohedral (9R) and hexagonal (6H) perovskites in barium silicates under high
 pressure
 Sample: P = 27.9 GPa

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formula: Ba Si O3
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formula_title: BaSiO3
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pub_title:
 Rhombohedral (9R) and hexagonal (6H) perovskites in barium silicates under high
 pressure
 Sample: P = 48.5 GPa

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alpha: 90
beta: 90
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pub_title:
 Order and miscibility in the otavite - magnesite solid solution
 Sample: X_Mg = .5, synthesized at 500 C, 1 GPa, 96 h

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formula_title: <missing>
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pub_title:
 Order and miscibility in the otavite - magnesite solid solution
 Sample: X_Mg = 0, synthesized at 600 C, 1 GPa, 3 h

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pub_title:
 Order and miscibility in the otavite - magnesite solid solution
 Sample: X_Mg = .1, synthesized at 600 C, 1 GPa, 3 h

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pub_title:
 Order and miscibility in the otavite - magnesite solid solution
 Sample: X_Mg = 1, synthesized at 600 C, 1 GPa, 3 h

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b: 4.9204
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pub_title:
 Order and miscibility in the otavite - magnesite solid solution
 Sample: X_Mg = 0, synthesized at 800 C, 1 GPa, 1 h

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pub_title:
 Order and miscibility in the otavite - magnesite solid solution
 Sample: X_Mg = .1, synthesized at 800 C, 1 GPa, 1 h

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formula: Mg C O3
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pub_title:
 Order and miscibility in the otavite - magnesite solid solution
 Sample: X_Mg = 1, synthesized at 800 C, 1 GPa, 1 h

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formula: Ag4 Mn Sb2 S6
compound: St. Andreasberg, Hartz Mountains, Germany
formula_title: <missing>
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beta: 92.676
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pub_title:
 Gram-Charlier development of the atomic displacement factors into mineral
 structures: The case of samsonite, Ag4MnSb2S6
 Sample: T = 100 K

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formula: K H C O3
compound: <missing>
pub_title: The high-pressure crystal structure of potassium hydrogen carbonate (KHCO3) Sample: P = 5.5 GPa
formula_title: KHCO3
a: 6.1443
b: 5.2974
c: 4.2133
alpha: 95.109
beta: 100.743
gamma: 108.934
cell_volume: 125.784
crystal_density: 2.643
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formula: Mg Al2 O4
compound: <missing>
formula_title: MgAl2O4
a: 9.9498
b: 8.6468
c: 2.7901
alpha: 90
beta: 90
gamma: 90
cell_volume: 240.043
crystal_density: 3.937
atoms_sites: ["Mg", "Al1", "Al2", "O1", "O2", "O3", "O4"]
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pub_title:
 High-pressure relations and crystal chemistry of calcium ferrite-type solid
 solutions in the system MgAl2O4-Mg2SiO4
 Note: synthesized from MgAl2O4 spinel at 27 GPa and 2200 C
 Note: data collected at room conditinos

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formula: K C O3
compound: Synthetic
formula_title: KHCO3
a: 10.024
b: 6.912
c: 4.1868
alpha: 115.92
beta: 90
gamma: 90
cell_volume: 260.905
crystal_density: 2.523
atoms_sites: ["K", "C", "O1", "O2", "O3"]
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pub_title:
 Single-crystal X-ray diffraction study of high-pressure phases of KHCO3
 Sample: phase IV, P = 4.6 GPa
 Note: high-pressure polymorph of kalcinite

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formula: Mg Fe2 O4
compound: <missing>
formula_title: MgFe2O4
a: 5.8309
b: 5.8309
c: 8.2218
alpha: 90
beta: 90
gamma: 90
cell_volume: 279.536
crystal_density: 4.752
atoms_sites: ["Mg", "Fe1", "Fe2", "O1", "O2"]
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pub_title:
 A Monte Carlo investigation of the thermodynamics of cation ordering in
 2-3 spinels
 Note: theoretical atom sites using GULP

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formula: H6.92 Fe3 S2 O14
compound: Synthetic
formula_title: <missing>
a: 7.3552
b: 7.3552
c: 16.9945
alpha: 90
beta: 90
gamma: 120
cell_volume: 796.211
crystal_density: 2.895
atoms_sites: ["H3O", "Fe", "S", "O1", "O2", "O3", "H"]
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pub_title:
 Jarosite - hydronium jarosite solid solution series with
 full iron occupancy: Mineralogy and crystal chemistry
 Sample: A

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formula: K.1 H6.86 Fe3 S2 O14
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 Sample: Jd100Ae0

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 The crystal structures of pyroxenes along the jadeite - hedenbergite and
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 Sample: Jd74Ae26

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pub_title:
 The crystal structures of pyroxenes along the jadeite - hedenbergite and
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 Sample: Jd35Ae65

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 The crystal structures of pyroxenes along the jadeite - hedenbergite and
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 Sample: Jd0Ae100

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 The crystal structures of pyroxenes along the jadeite - hedenbergite and
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 Sample: Jd53Hd47

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pub_title:
 The crystal structures of pyroxenes along the jadeite - hedenbergite and
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 Sample: Jd24Hde76

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pub_title:
 The crystal structures of pyroxenes along the jadeite - hedenbergite and
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 Sample: Jd0Hd100

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pub_title:
 High-pressure optical spectroscopy and X-ray diffraction studies
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 Sample: P = 0.0001 GPa

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pub_title:
 High-pressure optical spectroscopy and X-ray diffraction studies
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 Sample: P = 1.80 GPa

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formula: (Mg Al2) O4
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pub_title:
 Comparative compressibility and structural behavior of spinel MgAl2O4 at high
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 Sample: P = 0.0001 GPa, in air, ordered

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formula: Ca Ir O3
compound: <missing>
formula_title: CaIrO3
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pub_title:
 High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3
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 Note: Ca(z) and O(y) changed to match normal structure
 Sample: T = 2.0 K, P = 1 bar

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formula: Al P O4
compound: Cioclovina Cave, Romania
pub_title: Re-examination of berlinite (AlPO4) from the Cioclovina Cave, Romania
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formula: Ca3 (Al.58 V.94 Cr.48) Si3 O12
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pub_title:
 Metamorphic vanadian-chromian silicate mineralization in carbon-rich amphicole
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formula: Si23 O46 C3.44
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pub_title:
 Single-crystal X-ray and Raman investigation on melanophlogite from Varano
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pub_title:
 Compressibility trends of the clinopyroxenes, and in-situ high-pressure
 single-crystal X-ray diffraction study of jadeite
 Sample: Room Conditions, P = 0.0001 GPa

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pub_title:
 Synthesis and characterization of low-OH- fluor-chlorapatite: a single-crystal
 XRD and NMR spectroscopic study

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pub_title:
 Pressure dependence of the hydrogen-bond geometry in topaz-OD from neutron
 powder diffraction
 Sample: 7 tons, P = 0.0001 GPa

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pub_title:
 Crystal structures of synthetic melanotekite (Pb2Fe2Si2O9), kentrolite
 (Pb2Mn2Si2O9), and the aluminum analogue (Pb2Al2Si2O9)

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formula: Fe O2 H
compound: Synthetic
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pub_title:
 Structure and reactivity of synthetic Co-substituted goethites
 Sample: G0, 0 mol% Co
 Note: changed OH(x) to match reported bond distances

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compound: Synthetic
pub_title: Structure and reactivity of synthetic Co-substituted goethites Sample: G3, 3 mol% Co
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compound: Synthetic
formula_title: <missing>
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b: 9.9395
c: 3.0183
alpha: 90
beta: 90
gamma: 90
cell_volume: 137.927
crystal_density: 4.286
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pub_title:
 Structure and reactivity of synthetic Co-substituted goethites
 Sample: G5, 5 mol% Co
 Note: changed O(x) to match reported bond distances

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formula: (Fe.93 Co.07) O2 H
compound: Synthetic
pub_title: Structure and reactivity of synthetic Co-substituted goethites Sample: G7, 7 mol% Co
formula_title: <missing>
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compound: Synthetic
pub_title: Structure and reactivity of synthetic Co-substituted goethites Sample: G10, 10 mol% Co
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compound: Synthetic
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pub_title:
 Effects of hydration on the structure and compressibility of wadsleyite, beta-(Mg2SiO4)
 Sample: SS0402, 1.18 wt% H2O

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compound: Synthetic
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b: 11.4628
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alpha: 90
beta: 90.001
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pub_title:
 Effects of hydration on the structure and compressibility of wadsleyite, beta-(Mg2SiO4)
 Sample: SS0403, 0.38 wt% H2O

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compound: <missing>
formula_title: <missing>
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c: 8.2582
alpha: 90
beta: 90.000
gamma: 90
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pub_title:
 Effects of hydration on the structure and compressibility of wadsleyite, beta-(Mg2SiO4)
 Sample: WS3056, 0.005 wt% H2O

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formula: (Cr1.702 Fe.122 Ti.076 Al.058 Mg.042) O3
compound: natural diamond, Udachnaya pipe, Yukutia, Russia
pub_title: Eskolaite associated with diamond from the Udachnaya kimberlite pipe, Yakutia, Russia
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formula: (K.76 Na.24) Fe3 S2 O14 H6
compound: Synthetic
formula_title: <missing>
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b: 7.3045
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alpha: 90
beta: 90
gamma: 120
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pub_title:
 Crystal chemistry of the natrojarosite-jarosite and natrojarosite-hydronium
 jarosite solid-solution: A synthetic study with full Fe site occupancy
 Sample: K

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formula: Na Fe3 S2 O14 H6
compound: Synthetic
formula_title: <missing>
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alpha: 90
beta: 90
gamma: 120
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pub_title:
 Crystal chemistry of the natrojarosite-jarosite and natrojarosite-hydronium
 jarosite solid-solution: A synthetic study with full Fe site occupancy
 Sample: P

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formula: Mg Ge O3
compound: Synthetic
formula_title: MgGeO3
a: 2.5718
b: 8.3274
c: 6.3536
alpha: 90
beta: 90
gamma: 90
cell_volume: 136.071
crystal_density: 7.074
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pub_title:
 Rietveld structure refinement of MgGeO3 post-perovskite phase to 1 Mbar
 Sample: A036, P = 105.4 GPa, T = 300 K

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formula: Cs Si Al O4
compound: Synthetic
formula_title: CsAlSiO4
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b: 5.435
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alpha: 90
beta: 90
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cell_volume: 454.090
crystal_density: 3.686
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pub_title:
 Synthesis and crystal structure of the feldspathoid CsAlSiO4: An
 open-framework silicate and potential nuclear waste disposal phase

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formula: Ca Fe Si2 O6
compound: Synthetic
formula_title: <missing>
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b: 9.0234
c: 5.2509
alpha: 90
beta: 104.862
gamma: 90
cell_volume: 450.847
crystal_density: 3.655
atoms_sites: ["CaM2", "Fe2+M1", "SiT", "O1", "O2", "O3"]
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pub_title:
 The effect of the hedenbergitic substitution on the compressibility
 of jadeite
 Sample: Jd0Hd100 at P = 0 GPa

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formula: Ca Fe Si2 O6
compound: Synthetic
formula_title: <missing>
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b: 8.8998
c: 5.1923
alpha: 90
beta: 104.290
gamma: 90
cell_volume: 436.848
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pub_title:
 The effect of the hedenbergitic substitution on the compressibility
 of jadeite
 Sample: Jd0Hd100 at P = 3.80 GPa

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formula: Na Al Si2 O6
compound: Synthetic
formula_title: <missing>
a: 9.4278
b: 8.5651
c: 5.2262
alpha: 90
beta: 107.624
gamma: 90
cell_volume: 402.208
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atoms_sites: ["NaM2", "AlM1", "SiT", "O1", "O2", "O3"]
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pub_title:
 The effect of the hedenbergitic substitution on the compressibility
 of jadeite
 Sample: Jd100Hd0, P = 0 GPa

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formula: (Na.24 Ca.76) (Al.24 Fe.76) Si2 O6
compound: Synthetic
formula_title: <missing>
a: 9.7340
b: 8.9103
c: 5.2682
alpha: 90
beta: 105.904
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cell_volume: 439.436
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pub_title:
 The effect of the hedenbergitic substitution on the compressibility
 of jadeite
 Sample: Jd24Hd76, P = 0 GPa

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formula: Ca Ir O3
compound: Synthetic
pub_title: Single-crystal X-ray diffraction study of CaIrO3 Note: post-perovskite structure
formula_title: CaIrO3
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b: 9.8655
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alpha: 90
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formula: Mg2 Ge O4
compound: Synthetic
formula_title: Mg2GeO4
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b: 8.246
c: 8.246
alpha: 90
beta: 90
gamma: 90
cell_volume: 560.699
crystal_density: 4.388
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pub_title:
 Protonation in germanium equivalents of ringwoodite, anhydrous phase B,
 and superhydrous phase B
 Note: Ge-ringwoodite

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formula: Ca Ge2 O5
compound: Synthetic
formula_title: CaGe2O5
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b: 8.1912
c: 5.6468
alpha: 90
beta: 90
gamma: 90
cell_volume: 329.495
crystal_density: 5.348
atoms_sites: ["Ca", "Ge1", "Ge2", "O1", "O2", "O3", "O4"]
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pub_title:
 Equation of state and crystal structure of a new germanate post-titanite phase
 Note: pressure = 8.6 GPa

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formula: Ca S O6 H4
compound: Valle di Caramanico, Abruzzo, Italy
pub_title: High-pressure behavior of gypsum: A single-crystal X-ray study Note: P = 0.0001 GPa
formula_title: <missing>
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formula: Ca Be P O4.224 (F.776 H.224)
compound: Mogok Stone Tract, Myanmar
formula_title: <missing>
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b: 7.6769
c: 4.7633
alpha: 90
beta: 90.667
gamma: 90
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atoms_aniso_label: ["Ca", "Be", "P", "O1", "O2", "O3", "O4", "FO5", "O-HO5"]
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pub_title:
 Herderite from Mogok, Myanmar, and comparison with hydroxyl-herderite from
 Ehrenfriedersdorf, Germany
 Note: 108370

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formula: Al O2 (D.744 H.256)
compound: Synthetic
formula_title: delta-AlOOD
a: 4.7179
b: 4.2361
c: 2.8323
alpha: 90
beta: 90
gamma: 90
cell_volume: 56.605
crystal_density: 3.563
atoms_sites: ["Al", "O1", "O2", "D", "H"]
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pub_title:
 Neutron diffraction study of delta-AlOOD at high pressure and its implication
 for symmetrization of the hydrogen bond
 Note: P = 0.0001 GPa

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formula: Bi.99 S.97 Br.67 Cl.35 I.02
compound: La Fossa crater, Vulcano, Aeolian Islands, Italy
pub_title: Demicheleite, BiSBr, a new mineral from La Fossa crater, Vulcano, Aeolian Islands, Italy
formula_title: <missing>
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formula: Mg O
compound: <missing>
formula_title: <missing>
a: 4.144
b: 4.144
c: 4.144
alpha: 90
beta: 90
gamma: 90
cell_volume: 71.164
crystal_density: 3.762
atoms_sites: ["Mg", "O"]
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pub_title:
 Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
 gauge for helium pressure media
 Note: P = 8.5 GPa using ruby-scale
 Note: P = 8.5 GPa using MgO-scale

qdat:
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formula: Na Fe Si2 O6
compound: Synthetic
formula_title: <missing>
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b: 8.7928
c: 5.2935
alpha: 90
beta: 107.436
gamma: 90
cell_volume: 428.692
crystal_density: 3.579
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pub_title:
 In situ high-pressure single-crystal X-ray study of aegirine, NaFe3+Si2O6,
 and the role of M1 size in clinopyroxene compressibility
 Note: Pressure = 0.0001 GPa

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formula: Lu P O4
compound: Synthetic
formula_title: LuPO4
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b: 6.7895
c: 5.9560
alpha: 90
beta: 90
gamma: 90
cell_volume: 274.556
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pub_title:
 Lattice thermal expansion of zircon-type LuPO4 and LuVO4: A comparative study
 Note: T = 25 C
 Note: zircon structure

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formula: Lu V O4
compound: Synthetic
formula_title: LuVO4
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b: 7.0230
c: 6.2305
alpha: 90
beta: 90
gamma: 90
cell_volume: 307.304
crystal_density: 6.266
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pub_title:
 Lattice thermal expansion of zircon-type LuPO4 and LuVO4: A comparative study
 Note: T = 25 C
 Note: zircon structure

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formula: Fe2.538 Ti.462 O4
compound: Synthetic
pub_title: Crystal chemistry of the magnetite-ulvospinel series Note: FeTi30A
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compound: Synthetic
pub_title: Crystal chemistry of the magnetite-ulvospinel series Note: FeTib1b
formula_title: <missing>
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formula: Ca4.958 U.042 P3 O12 F
compound: Synthetic
pub_title: Site preference of U and Th in Cl, F, and Sr apatites Note: UFAP
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formula: W C
compound: Luobusa ophiolite, Qusong County, Tibet, China
pub_title: Qusong (WC): A new mineral
formula_title: <missing>
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formula: As S
compound: Synthetic
formula_title: <missing>
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alpha: 90
beta: 106.499
gamma: 90
cell_volume: 802.044
crystal_density: 3.544
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pub_title:
 Molecular conformation and anion configuration variations for As4S4 and As4Se4
 in an anion-substituted solid solution
 Note: S1Se0-2

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formula: As Se
compound: Synthetic
formula_title: As4Se4
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c: 6.7368
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beta: 106.5767
gamma: 90
cell_volume: 853.711
crystal_density: 4.789
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pub_title:
 Molecular conformation and anion configuration variations for As4S4 and As4Se4
 in an anion-substituted solid solution
 Note: S0Se1-2

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formula: As Se
compound: Synthetic
formula_title: As4Se4
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c: 6.7321
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gamma: 90
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pub_title:
 Molecular conformation and anion configuration variations for As4S4 and As4Se4
 in an anion-substituted solid solution
 Note: S0Se1-3

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formula: Na V Si2 O6
compound: <missing>
formula_title: NaVSi2O6
a: 9.644
b: 8.749
c: 5.304
alpha: 90
beta: 106.96
gamma: 90
cell_volume: 428.063
crystal_density: 3.508
atoms_sites: ["Na", "V", "Si", "O1", "O2", "O3"]
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pub_title:
 Lattice compression and structural behavior of NaVSi2O6 clinopyroxene to 11 GPa
 Note: P = 0.0001 GPa

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formula: (Li1.95 Mg1.05) Si5 O12
compound: synthetic, synthesized at P = 15 GPa, T = 1500 C
formula_title: (Li2Mg)Si2(SiO4)3
a: 11.2660
b: 11.2660
c: 11.2660
alpha: 90
beta: 90
gamma: 90
cell_volume: 1429.912
crystal_density: 3.451
atoms_sites: ["LiX", "MgX", "SiY", "Si", "O"]
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pub_title:
 Crystal structure and Raman spectrum of a high-pressure
 Li-rich majoritic garnet, (Li2Mg)Si2(SiO4)3

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formula: Fe.878 Al1.964 Mg.138 O4
compound: El Hoyazo, lavas of the Neogene Volcanic Province of SE Spain
formula_title: <missing>
a: 8.1584
b: 8.1584
c: 8.1584
alpha: 90
beta: 90
gamma: 90
cell_volume: 543.019
crystal_density: 4.144
atoms_sites: ["Fe2+T", "Fe3+T", "AlT", "MgT", "AlM", "Fe2+M", "MgM", "Fe3+M", "O"]
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atoms_aniso_u13: 0
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pub_title:
 Closure temperatures of intracrystalline ordering in anatectic and metamorphic
 hercynite, Fe2+Al2O4
 Note: Sample HO19

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formula: Fe.924 Al1.948 Mg.116 O4
compound: El Hoyazo, lavas of the Neogene Volcanic Province of SE Spain
formula_title: <missing>
a: 8.1511
b: 8.1511
c: 8.1511
alpha: 90
beta: 90
gamma: 90
cell_volume: 541.563
crystal_density: 4.194
atoms_sites: ["Fe2+T", "Fe3+T", "AlT", "MgT", "AlM", "Fe2+M", "MgM", "Fe3+M", "O"]
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atoms_aniso_u13: 0
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pub_title:
 Closure temperatures of intracrystalline ordering in anatectic and metamorphic
 hercynite, Fe2+Al2O4
 Note: Sample AVMa8.9

qdat:
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formula: Fe.84 Al1.966 Mg.19 O4
compound: the Anga metamorphic complex, Lake Baikal, Russia
formula_title: <missing>
a: 8.1460
b: 8.1460
c: 8.1460
alpha: 90
beta: 90
gamma: 90
cell_volume: 540.547
crystal_density: 4.143
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pub_title:
 Closure temperatures of intracrystalline ordering in anatectic and metamorphic
 hercynite, Fe2+Al2O4
 Note: Sample 441A

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pub_title:
 Arsenate substitution in hydroxylapatite: Structural characterization of the
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 Sample: As0

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pub_title:
 Arsenate substitution in hydroxylapatite: Structural characterization of the
 Ca5(PxAs1-xO4)3OH solid solution
 Sample: As11

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pub_title:
 Arsenate substitution in hydroxylapatite: Structural characterization of the
 Ca5(PxAs1-xO4)3OH solid solution
 Sample: As100

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pub_title:
 The crystal chemical role of Zn in alunite-type minerals:
 Structure refinements for kintoreite and zincian kintoreite

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pub_title:
 The crystal chemical role of Zn in alunite-type minerals:
 Structure refinements for kintoreite and zincian kintoreite

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pub_title:
 High-pressure behavior of akermanite and gehlenite and phase stability
 of the normal structures in melelites
 Note: P = 5 GPa

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formula: Zn Al2 O4
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pub_title: Inverse spinel structure of Co-doped gahnite Note: Sample S0, inversion parameter = 0, ZnAl2O4
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pub_title:
 Inverse spinel structure of Co-doped gahnite
 Note: Sample S6, inversion parameter = .095, (Zn.5Co.5)Al2O4

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pub_title:
 Inverse spinel structure of Co-doped gahnite
 Note: Sample S8, inversion parameter = .150, (Zn.25Co.75)Al2O4

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pub_title:
 Inverse spinel structure of Co-doped gahnite
 Note: Sample S10, inversion parameter = .248, CoAl2O4

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pub_title:
 Cs-exchange in birnessite: Reaction mechanisms inferred from time-resolved
 X-ray diffraction and transmission electron microscopy
 Note: Solution concentration 0.001 M
 Note: Occupancies of the Oint sites are undetermined, O is used only as a scatterer

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pub_title:
 Cs-exchange in birnessite: Reaction mechanisms inferred from time-resolved
 X-ray diffraction and transmission electron microscopy
 Note: Solution concentration 0.01 M
 Note: Occupancies of the Oint sites are undetermined, O is used only as a scatterer

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pub_title:
 Cs-exchange in birnessite: Reaction mechanisms inferred from time-resolved
 X-ray diffraction and transmission electron microscopy
 Note: Solution concentration 0.05 M
 Note: Occupancies of the Oint sites are undetermined, O is used only as a scatterer

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pub_title:
 X-ray diffraction and Raman spectroscopic study of clinopyroxenes with six-coordinated
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 Note: Sample J3

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pub_title:
 X-ray diffraction and Raman spectroscopic study of clinopyroxenes with six-coordinated
 Si in the Na(Mg0.5Si0.5)Si2O6 - NaAlSi2O6 system
 Note: Sample J4

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formula_title: (Na.99Mg.01)(Mg.16Al.70Si.14)Si2O6
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pub_title:
 X-ray diffraction and Raman spectroscopic study of clinopyroxenes with six-coordinated
 Si in the Na(Mg0.5Si0.5)Si2O6 - NaAlSi2O6 system
 Note: Sample J5

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formula: O3 Si Mg
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pub_title: Phase behavior of protoenstatite at high pressure studied by atomistic simulations
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formula: Pb3 (Sb.57 Te.43) Zn3 As2 O14
compound: the Black Pine mine, Montana, USA
formula_title: <missing>
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b: 8.4803
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pub_title:
 Joelbruggerite, Pb3Zn3(Sb,Te)As2O13(OH,O), the Sb5+ analog of dugganite,
 from the Black Pine mine, Montana

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formula: Bi (Cl.9 Br.1) S
compound: La Fossa crater, Vulcano, Aeolian Islands, Italy
pub_title: Demicheleite-(Cl), BiS,Cl, a new mineral from La Fossa crater, Vulcano, Aeolian Islands, Italy
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formula: Cs1.34 O12.66 Na.204 Si4.434 Al1.536 H1.32
compound: Greenwood, Oxford County, Maine, USA
pub_title: Elastic behavior and phase stability of pollucite, a potential host for nuclear waste
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formula: Pb Si2 O5.5 H
compound: Blue Bell claims near Baker, San Bernardino County, California, USA
formula_title: <missing>
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pub_title:
 Plumbophyllite, a new species from the Blue Bell claims near Baker, San Bernardino
 County, California

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formula: Ag Fe2 S3
compound: Joachimstal, Bohemia, Czech Republic, type sample
pub_title: Crystal structure of argentopyrite, AgFe2S3, and its relationship with cubanite
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formula: Cr1.68 Mg3.16 Si3.16 O12
compound: Synthetic
pub_title: Structure refinement of a synthetic knorringite, Mg3(Cr0.8Mg0.1Si0.1)2(SiO4)3
formula_title: <missing>
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b: 11.5935
c: 11.5935
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formula: K Al2 Si4 O12 H2
compound: Silver caldera, San Juan Mountains, Colorado
formula_title: <missing>
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b: 8.9797
c: 10.226
alpha: 90
beta: 101.57
gamma: 90
cell_volume: 467.984
crystal_density: 2.834
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pub_title:
 Factors responsible for crystal-chemical variations in the solid solutions
 from illite to aluminoceladonite and from glauconite to celadonite
 Sample Name: RM30

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formula: Na1.959 C O3
compound: Mt. Koashva, Khibiny massif, Kola peninsula, Russia
formula_title: <missing>
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b: 5.194
c: 5.953
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pub_title:
 The incommensurately modulated structures of natural natrite at 120
 and 293 K from synchrotron X-ray data
 T = 120 K

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compound: Mt. Koashva, Khibiny massif, Kola peninsula, Russia
formula_title: <missing>
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c: 6.021
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pub_title:
 The incommensurately modulated structures of natural natrite at 120
 and 293 K from synchrotron X-ray data
 T = 293 K

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formula: Na1.947 C O3
compound: Mt. Koashva, Lovozero massif, Kola peninsula, Russia
formula_title: <missing>
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c: 6.0455
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pub_title:
 The incommensurately modulated structures of natural natrite at 120
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 T = 293 K

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formula: Pb3 Te Zn3 P1.594 As.404 O14
compound: Black Pine mine, NW of Philipsburg, Granite County, Montana, USA
formula_title: <missing>
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b: 8.392
c: 5.204
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pub_title:
 The crystal chemistry and crystal structure of kuksite, Pb3Zn3Te6+P2O14,
 and a note on the crystal structure of yafsoanite, (Ca,Pb)3Zn(TeO6)2

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formula: Pb3 Te Zn3 (P1.34 As.66) O14
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b: 8.3942
c: 5.1847
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beta: 90
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pub_title:
 The crystal chemistry and crystal structure of kuksite, Pb3Zn3Te6+P2O14,
 and a note on the crystal structure of yafsoanite, (Ca,Pb)3Zn(TeO6)2

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pub_title:
 The crystal chemistry and crystal structure of kuksite, Pb3Zn3Te6+P2O14,
 and a note on the crystal structure of yafsoanite, (Ca,Pb)3Zn(TeO6)2

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formula: Ca3 (Sn1.362 Ti.638) (Fe1.386 Al1.614) O12
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pub_title:
 Bitikleite-(SnAl) and bitikleite-(ZrFe): New garnets from xenoliths of the
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pub_title:
 Low-temperature behavior of natural kalsilite with P31c symmetry:
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compound: <missing>
pub_title: The structure of lindgrenite
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formula: (Zn.5 Mn.25 Fe.25) S
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formula: Pb5 V3 Cl O12
compound: <missing>
pub_title: The structure of vanadinite
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pub_title:
 The structures of the minerals of the descloizite and adelite groups:
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pub_title:
 The structures of the minerals of the descloizite and adelite groups:
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formula: Na Al C O5 H2
compound: McGill University, Montreal, Quebec, Canada
pub_title: The crystal structure of dawsonite NaAl(CO3)(OH)2
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formula: Nb2 Ca2 O6 F
compound: <missing>
pub_title: La composition chimique et la structure cristalline du pyrochlore d'Oka, P.Q. Sample: No. 1
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formula: (Ag.865 Sb.134 Hg.001)
compound: Hi-Ho mine, Cobalt, Ontario, Canada
pub_title: Allargentum, redefined
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formula: Ca2 Al1.91 Mg.05 Fe.02 Si1.02 O7
compound: Crestmore, California, USA
pub_title: Refinement of the crystal structure of a natural gehlenite, Ca2Al(Al,Si)2O7
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 The crystal structure of argentian pentlandite (Fe,Ni)8AgS8, compared with
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pub_title:
 The crystal structure of argentian pentlandite (Fe,Ni)8AgS8, compared with
 the refined structure of pentlandite (Fe,Ni)9S8

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pub_title: Crystal structure refinement of millerite (B-NiS)
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formula: Ni S
compound: <missing>
pub_title: The crystal structure of millerite
formula_title: <missing>
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formula: Bi1.3 Sb.7 Ni9 S8
compound: Westphalia
pub_title: The crystal structure of antimonian hauchecornite from Westphalia
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formula: Co8.84 S8
compound: <missing>
pub_title: Refinement of the structure of Co9S8
formula_title: <missing>
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formula: Fe Pt3
compound: Tulameen River, British Columbia, Canada
pub_title: Platinum-iron alloys: a nomenclature based on a study of natural and synthetic alloys
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formula: (Pt.302 Pd.486 Sn.212)
compound: the Rustenburg and Atok Platinum Mines in the Bushveld Igneous complex, South Africa
formula_title: <missing>
a: 3.991
b: 3.991
c: 3.991
alpha: 90
beta: 90
gamma: 90
cell_volume: 63.569
crystal_density: 14.189
atoms_sites: ["Pt", "Pd", "Sn"]
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pub_title:
 Rustenburgite and atokite, two new platinum-group minerals from the
 Merensky Reef, Bushveld igneous complex

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formula: Sr S O4
compound: <missing>
formula_title: <missing>
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c: 6.858
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cell_volume: 306.846
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pub_title:
 Anhydrous sulphates. I: Refinement of the crystal structure of celestite
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formula: Na2 S O4
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pub_title:
 Anhydrous sulphates. I: Refinement of the crystal structure of celestite
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formula: Co Sb S
compound: <missing>
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formula: Co Sb S
compound: <missing>
pub_title: The crystal structures of costibite (CoSbS) and paracostibite(CoSbS)
formula_title: <missing>
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formula: Ca S O4
compound: Leopoldshall, East Germany
pub_title: Anhydrous sulphates. II. Refinement of the crystal structure of anhydrite
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formula: Al Na3 F6
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formula: Ca Te C O5
compound: <missing>
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formula: Sb Ag3
compound: <missing>
formula_title: <missing>
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c: 5.214
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beta: 90
gamma: 90
cell_volume: 75.721
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pub_title:
 Refinement of the crystal structure of dyscrasite, and its implications
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formula: Zn2 As O5 H
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pub_title: A refinement of the crystal structure of adamite
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formula: Sn Cu6 Fe2 S8
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pub_title: The crystal structure of mawsonite, Cu6Fe2SnS8
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pub_title:
 The crystal structures of tantalite, ixiolite and wodginite
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pub_title:
 The crystal structures of tantalite, ixiolite and wodginite
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compound: <missing>
pub_title: The crystal structure of alloclasite, CoAsS, and the alloclasite-cobaltite transformation
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formula: (Mg.485 Co.515) Ca2 As2 O10 H4
compound: <missing>
pub_title: The crystal structure of roselite
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formula: (Si5.04 Al3.96) (Mg1.36 Fe.64) O18
compound: from a burning coal seam in the Bokaro coalfield, India
pub_title: The polymorphism of cordierite: II. The crystal structure of indialite
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formula: Si2 Sc Li O6
compound: <missing>
pub_title: Refinement of the crystal structure of LiScSi2O6 and structural variations in alkali pyroxenes
formula_title: LiScSi2O6
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formula: Na (Fe.9 Mn.06 Mg.03 Ca.01) P O4
compound: <missing>
pub_title: The crystal structure of the new mineral maricite, NaFePO4
formula_title: <missing>
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formula: Ba S O4
compound: <missing>
pub_title: A further refinement of the barite structure
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formula: Cu2 Sn (Zn.71 Fe.28 Cd.01) S4
compound: <missing>
formula_title: <missing>
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b: 5.427
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alpha: 90
beta: 90
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pub_title:
 Kesterite, Cu2(Zn,Fe)SnS4, and stannite, Cu2(Fe,Zn)SnS4,
 structurally similar but distinct minerals

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beta: 90
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pub_title:
 Kesterite, Cu2(Zn,Fe)SnS4, and stannite, Cu2(Fe,Zn)SnS4,
 structurally similar but distinct minerals

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formula: (Cd.37 Zn.33 Fe.29 Mn.01) Sn Cu2 S4
compound: <missing>
formula_title: <missing>
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b: 5.487
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pub_title:
 The crystal structure of cernyite, Cu2CdSnS4, a cadmium analogue of stannite
 Note: z-coordinate for S atom changed in order to reproduce bond lengths.

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formula: Cu2 P O5 H
compound: <missing>
pub_title: A crystal-structure refinement of libethenite
formula_title: <missing>
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c: 5.881
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formula: Cu1.25 Fe.25 S
compound: <missing>
formula_title: <missing>
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b: 10.9806
c: 10.9806
alpha: 90
beta: 90
gamma: 90
cell_volume: 1323.970
crystal_density: 5.035
atoms_sites: ["CuM11", "CuM12", "FeM2", "CuM2", "S1", "S2"]
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pub_title:
 Bornite (Cu5FeS4): Stability and crystal structure of the intermediate form
 Sample: T = 185 degree C

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formula: Ti O2
compound: <missing>
formula_title: <missing>
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c: 5.138
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beta: 90
gamma: 90
cell_volume: 256.844
crystal_density: 4.131
atoms_sites: ["Ti", "O1", "O2"]
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pub_title:
 Polyhedral thermal expansion in the TiO2 polymorphs: Refinement
 of the crystal structures of rutile and brookite at high temperature
 Sample at 25 degrees C

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formula: Pt.35 Rh.31 Ru.29 Ir.05 Os.01 (As1.02 S.98)
compound: Onverwacht mine, Transvaal
pub_title: The crystal structure of platarsite, Pt(As,S)2, and a comparison with sperrylite, PtAs2
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formula_title: <missing>
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pub_title:
 Studies of the sulfosalts of copper
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pub_title:
 Studies of the sulfosalts of copper
 VII. Crystal structures of the exolution products Cu12.3Sb4S13
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 Sample: Cu-rich tetrahedrite Cu13.8Sb4S13

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formula: Sb2 V O5
compound: <missing>
pub_title: A redetermination of the structure of Sb2VO5, stibivanite, a new mineral
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formula: Pd3 Sn
compound: <missing>
pub_title: Phases and phase relations in the system Pd-Pt-Sn Note: sample is synthetic
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compound: <missing>
formula_title: <missing>
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pub_title:
 A mineralogical study and crystal-structure determination of
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 Note: Changed O2-x coordinate to match reported bond lengths

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pub_title:
 A crystal structure refinement of synthetic brannerite UTi2O6 and its bearing
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formula: Na3.76 Fe.04 Al3 Si3 O12 Cl
compound: Mont St-Hilaire, Quebec, Canada
pub_title: The structure of hackmanite, a variety of sodalite, from Mont St-Hilaire, Quebec
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formula: W O4 H2
compound: <missing>
pub_title: The crystal structure of tungstite, WO3.H2O
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pub_title: Anharmonic thermal vibrations in ZnO Model: 2-c, at T = 293 K
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formula: K Na2 B3 Si12 O30
compound: Mont Saint-Hilaire, Quebec, Canada
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pub_title:
 Poudretteite, KNa2B3Si12O30, a new member of the osumilite group from
 Mont Saint-Hilaire, Quebec, and its crystal structure

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formula: Sn Nb2 O6
compound: <missing>
pub_title: The crystal structure of foordite
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formula: Pb1.002 (As1.07 S.93) (Fe2.541 Al.459) O14
compound: <missing>
pub_title: The crystal structure of beudantite, Pb(Fe,Al)3((As,S)O4)2(OH)6
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formula: Hg2 Te O3
compound: Mount Lion Mine, Colorado, USA
pub_title: The crystal structure of magnolite, Hg2TeO3
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formula: Ni18 Bi3 As S16
compound: Vermilion mine, Sudbury District, Ontario, Canada
pub_title: The crystal structure of arsenohauchecornite
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formula: Pb5 V3 O12 Cl
compound: <missing>
pub_title: Crystal-structure refinements of vanadinite and pyromorphite
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formula: Si6 Be3 (Al1.96 Fe.04) O18 Na.03
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pub_title:
 The incorporation of alkalis in beryl: multi-nuclear MAS NMR
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 Sample: SHEE-1-6

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pub_title:
 The incorporation of alkalis in beryl: multi-nuclear MAS NMR
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pub_title:
 The incorporation of alkalis in beryl: multi-nuclear MAS NMR
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pub_title:
 The incorporation of alkalis in beryl: multi-nuclear MAS NMR
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formula: Na Li Si2 O7 H4
compound: Mont Saint-Hilaire, Rouville County, Quebec, Canada
pub_title: The crystal structure of silinaite, NaLiSi2O6.2H20: a monophyllosilicate
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pub_title: The crystal structures of mimetite and clinomimetite, Pb5(AsO4)3Cl
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formula: Na Li2 P O4
compound: <missing>
pub_title: The crystal structure of nalipoite
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formula_title: <missing>
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pub_title:
 The crystal structure of alumotantite: Its relation to
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formula: Ca (Mn.94 Al.06) Si O5
compound: Cerchiara Mine, Northern Apennines, Italy
pub_title: Mozartite, CaMn(OH)SiO4, a new mineral species from the Cerchiara Mine, Northern Apennines, Italy
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formula: Ca (Fe5.28 Mg.72) Si2 P2 O16
compound: Arcedeckne Island, Artic Canada
formula_title: <missing>
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b: 6.248
c: 26.802
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pub_title:
 Harrisonite, a well-ordered silico-phosphate with a layered crystal structure.
 Ca(Fe,Mg)6(SiO4)2(PO4)2

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formula: (Co.91 Ni.05 Fe.02 Cu.02) (Sb2.97 Cl.03)
compound: Tunaberg, Sweden
pub_title: Kieftite, CoSb3, a new member of the skutterudite group from Tunaberg, Sweden
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pub_title:
 The crystal structure and crystal chemistry of fernandinite and corvusite
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pub_title:
 Characterization of fine-grained mixtures of rock-forming minerals by Rietveld
 structure refinement: olivine + pyroxene
 Sample: single crystal SC

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pub_title:
 Characterization of fine-grained mixtures of rock-forming minerals by Rietveld
 structure refinement: olivine + pyroxene
 Sample: SPh single phase Rietveld

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pub_title:
 Characterization of fine-grained mixtures of rock-forming minerals by Rietveld
 structure refinement: olivine + pyroxene
 Sample: P1 - 9.9% olivine Rietveld

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pub_title:
 Characterization of fine-grained mixtures of rock-forming minerals by Rietveld
 structure refinement: olivine + pyroxene
 Sample: P2 - 19.9% olivine Rietveld

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pub_title:
 Characterization of fine-grained mixtures of rock-forming minerals by Rietveld
 structure refinement: olivine + pyroxene
 Sample: P3 - 30.6% olivine Rietveld

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pub_title:
 Characterization of fine-grained mixtures of rock-forming minerals by Rietveld
 structure refinement: olivine + pyroxene
 Sample: P4 - 39.7% olivine Rietveld

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pub_title:
 Characterization of fine-grained mixtures of rock-forming minerals by Rietveld
 structure refinement: olivine + pyroxene
 Sample: P5 - 49.9% olivine Rietveld

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pub_title:
 Characterization of fine-grained mixtures of rock-forming minerals by Rietveld
 structure refinement: olivine + pyroxene
 Sample: P6 - 59.9% olivine Rietveld

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pub_title:
 Characterization of fine-grained mixtures of rock-forming minerals by Rietveld
 structure refinement: olivine + pyroxene
 Sample: P7 - 70.0% olivine Rietveld

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pub_title:
 Characterization of fine-grained mixtures of rock-forming minerals by Rietveld
 structure refinement: olivine + pyroxene
 Sample: P8 - 79.9% olivine Rietveld

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pub_title:
 Characterization of fine-grained mixtures of rock-forming minerals by Rietveld
 structure refinement: olivine + pyroxene
 Sample: P9 - 89.6% olivine Rietveld

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pub_title:
 Characterization of fine-grained mixtures of rock-forming minerals by Rietveld
 structure refinement: olivine + pyroxene
 Sample: single crystal SC

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pub_title:
 Characterization of fine-grained mixtures of rock-forming minerals by Rietveld
 structure refinement: olivine + pyroxene
 Sample: SPh single phase Rietveld

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formula: (Fe.54 W1.46) Ca.12 Na.04 H4.1 O6.8 K.2
compound: Kalzas mountain, Yukon, Canada
formula_title: <missing>
a: 10.352
b: 10.352
c: 10.352
alpha: 90
beta: 90
gamma: 90
cell_volume: 1109.361
crystal_density: 5.090
atoms_sites: ["FeB", "WB", "CaA", "NaA", "H2OA", "O", "O-H", "Wat*", "K*"]
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pub_title:
 A refinement of the structure of ferritungstite from Kalzas mountain, Yukon, and
 observations on the tungsten pyrochlores

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formula: Fe S O5 H2
compound: <missing>
formula_title: <missing>
a: 5.177
b: 5.176
c: 7.608
alpha: 107.57
beta: 107.57
gamma: 93.65
cell_volume: 182.581
crystal_density: 3.091
atoms_sites: ["FeM1", "FeM2", "S", "O1", "O2", "O3", "O4", "Wat"]
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pub_title:
 Characterization of the FeSO4.H2O - CuSO4.H2O solid solution series, and the
 nature of poitevinite, (Cu,Fe)SO4.H2O
 Sample: Fe-100

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formula: Cu S O5 H2
compound: <missing>
formula_title: <missing>
a: 5.034
b: 5.167
c: 7.573
alpha: 108.64
beta: 108.41
gamma: 90.88
cell_volume: 175.606
crystal_density: 3.359
atoms_sites: ["CuM1", "CuM2", "S", "O1", "O2", "O3", "O4", "Wat"]
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pub_title:
 Characterization of the FeSO4.H2O - CuSO4.H2O solid solution series, and the
 nature of poitevinite, (Cu,Fe)SO4.H2O
 Sample: Cu-100

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formula: Mn Sn B2 O6
compound: <missing>
pub_title: The crystal structure of tusionite, MnSn(BO3)2, a dolomite-structure borate
formula_title: <missing>
a: 4.781
b: 4.781
c: 15.381
alpha: 90
beta: 90
gamma: 120
cell_volume: 304.476
crystal_density: 4.765
atoms_sites: ["Mn", "Sn", "B", "O"]
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formula: Hg5 Cr O6
compound: type sample from Clear Creek mercury mine, San Benito County, California, USA
pub_title: The crystal structure of wattersite, Hg4HgCrO6
formula_title: <missing>
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formula: Cu3.99 H6.71 Cl1.29 O6.71
compound: <missing>
pub_title: Claringbullite: A Cu oxysalt with Cu in trigonal-prismatic coordination
formula_title: <missing>
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beta: 90
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formula: Cu2 Te O6 H2
compound: <missing>
pub_title: Frankhawthorneite, a unique HCP framework structure of a cupric tellurate
formula_title: <missing>
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b: 5.213
c: 4.605
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formula: Al.82 (Si3 B) K.2 (O12 H2)
compound: Recice, Czech Republic
formula_title: <missing>
a: 5.102
b: 8.788
c: 10.076
alpha: 90
beta: 101.23
gamma: 90
cell_volume: 443.121
crystal_density: 2.391
atoms_sites: ["Al", "SiT", "BT", "K", "O-H", "O1", "O2", "O3"]
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pub_title:
 Crystal-structure refinement of boromuscovite polytypes using a coupled
 Rietveld-static-structure energy-minimization method
 Sample: 1M polytype

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formula: As Cu2 O5
compound: <missing>
pub_title: Rietveld refinement of the crystal structure of olivenite: A twinned monoclinic structure
formula_title: <missing>
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b: 8.2076
c: 5.9286
alpha: 90
beta: 90
gamma: 90
cell_volume: 417.957
crystal_density: 4.482
atoms_sites: ["As", "Cu1", "Cu2", "O1", "O2", "O3", "O4"]
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formula: As Cu2 O5
compound: <missing>
formula_title: <missing>
a: 8.5894
b: 8.2073
c: 5.9285
alpha: 90.088
beta: 90
gamma: 90
cell_volume: 417.934
crystal_density: 4.482
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pub_title:
 Rietveld refinement of the crystal structure of olivenite: A twinned monoclinic
 structure
 Note: The sign of Cu1-z coordinate changed.

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formula: Cu Pb V H O5
compound: <missing>
formula_title: <missing>
a: 7.667
b: 6.053
c: 9.316
alpha: 90
beta: 90
gamma: 90
cell_volume: 432.340
crystal_density: 6.187
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pub_title:
 The crystal structure of mottramite, and the nature of Cu=Zn solid solution in
 the mottramite-descloizite series

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formula: Pb2 Cu Cl2 O4 H4
compound: <missing>
formula_title: <missing>
a: 5.880
b: 5.880
c: 5.500
alpha: 90
beta: 90
gamma: 90
cell_volume: 190.159
crystal_density: 5.387
atoms_sites: ["Pb", "Cu", "Cl1", "Cl2", "O", "H"]
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atoms_occupancy: 0
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atoms_aniso_u13: AAAAAAAAAAAAAAAAAAAAAPDx//8=
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pub_title:
 Diaboleite, Pb2Cu(OH)4Cl2, a defect perovskite structure with stereoactive
 lone-pair behavior of Pb

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formula: Be2 B H O4
compound: Himalaya mine, California, USA
pub_title: Fluorine-hydroxyl variation in hambergite: A crystal-structure study Note: sample HM1
formula_title: <missing>
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b: 12.194
c: 4.430
alpha: 90
beta: 90
gamma: 90
cell_volume: 528.094
crystal_density: 2.361
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formula: Be2 B H O4
compound: Susice
pub_title: Fluorine-hydroxyl variation in hambergite: A crystal-structure study Note: sample HM2
formula_title: <missing>
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b: 12.231
c: 4.4340
alpha: 90
beta: 90
gamma: 90
cell_volume: 528.981
crystal_density: 2.357
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formula: Be2 B H O4
compound: Ctidruzice
pub_title: Fluorine-hydroxyl variation in hambergite: A crystal-structure study Note: sample HM3
formula_title: <missing>
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b: 12.313
c: 4.439
alpha: 90
beta: 90
gamma: 90
cell_volume: 528.974
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formula: Cu2 O3 Cl
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pub_title: The crystal structure of clinoatacamite, a new polymorph of Cu2(OH)3Cl
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pub_title:
 A single-crystal infrared spectroscopic and X-ray-diffraction study of untwinned
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formula: Te3 Mn2 O8
compound: Moctezuma, Sonora, Mexico
pub_title: The crystal structure of spiroffite
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formula: Na Y C O3 F2
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pub_title: Horvathite-(Y), rare-earth fluorocarbonate, a new mineral species from Mont Saint-Hilaire, Quebec
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formula: Te Cu2 Mg O12
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formula: (Pd2.88 Pt.12) (Pb.89 Bi.11)
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formula: Cu I
compound: <missing>
pub_title: A note on the crystal structure of marshite Note: ZnS structure, sphalerite structure
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formula_title: <missing>
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gamma: 90
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pub_title:
 Redledgeite, Bax([Cr,Fe,V]2xTi8-2x)O16, the I4/m structure and elucidation
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formula: (Ca.75 Na.25) (Nb.57 Fe.15 Ti.28) O3
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pub_title: Latrappite: A re-investigation
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formula: Cs Fe3 (Si3 Al) O12
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pub_title: Hydrothermal synthesis of a Cs ferruginous trioctahedral mica Sample: Cs-156
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formula: Zn S
compound: Mont Saint-Hilaire, Quebec, Canada
pub_title: The occurence of two rare polytypes of wurtzite, 4H and 8H, at Mont Saint-Hilaire, Quebec
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formula: Te As6 Pb3 Zn3 O18
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pub_title: The crystal structure of dugganite, Pb3Zn3TeAs2O14
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formula: Mg Sn H6 O6
compound: a 1375 BC shipwreck
formula_title: <missing>
a: 7.7449
b: 7.7449
c: 7.7449
alpha: 90
beta: 90
gamma: 90
cell_volume: 464.566
crystal_density: 3.504
atoms_sites: ["Mg", "Sn", "H1", "H2", "O"]
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pub_title:
 Description of schoenfliesite, MgSn(OH)6, and roxbyite, Cu1.72S, from a 1375 BC shipwreck,
 and rietveld neutron-diffraction refinement of synthetic schoenfliesite, wickmanite,
 MnSn(OH)6, and burtite, CaSn(OH)6

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formula: Mn Sn H6 O6
compound: a 1375 BC shipwreck
formula_title: <missing>
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b: 7.8744
c: 7.8744
alpha: 90
beta: 90
gamma: 90
cell_volume: 488.261
crystal_density: 3.750
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pub_title:
 Description of schoenfliesite, MgSn(OH)6, and roxbyite, Cu1.72S, from a 1375 BC shipwreck,
 and rietveld neutron-diffraction refinement of synthetic schoenfliesite, wickmanite,
 MnSn(OH)6, and burtite, CaSn(OH)6

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formula: Ca Sn H6 O6
compound: a 1375 BC shipwreck
formula_title: <missing>
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b: 8.1221
c: 8.1221
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beta: 90
gamma: 90
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pub_title:
 Description of schoenfliesite, MgSn(OH)6, and roxbyite, Cu1.72S, from a 1375 BC shipwreck,
 and rietveld neutron-diffraction refinement of synthetic schoenfliesite, wickmanite,
 MnSn(OH)6, and burtite, CaSn(OH)6

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formula: Mg3 Si2 H4 O9
compound: <missing>
pub_title: Effect of temperature on the structures of lizardite-1T and lizardite-2H1 Sample: T = 20 C
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formula: Mg3 Si2 O9
compound: <missing>
pub_title: Effect of temperature on the structures of lizardite-1T and lizardite-2H1 Sample: T = 360 C
formula_title: <missing>
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c: 7.324
alpha: 90
beta: 90
gamma: 120
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formula: Mg3 Si2 H4 O9
compound: <missing>
pub_title: Effect of temperature on the structures of lizardite-1T and lizardite-2H1 Sample: T = 480 C
formula_title: <missing>
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alpha: 90
beta: 90
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formula: Mg3 Si2 H4 O9
compound: <missing>
pub_title: Effect of temperature on the structures of lizardite-1T and lizardite-2H1 Sample: T = 20 C
formula_title: <missing>
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b: 5.317
c: 14.551
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formula: Mg3 Si2 O9
compound: <missing>
pub_title: Effect of temperature on the structures of lizardite-1T and lizardite-2H1 Sample: T = 300 C
formula_title: <missing>
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b: 5.336
c: 14.614
alpha: 90
beta: 90
gamma: 120
cell_volume: 360.356
crystal_density: 2.517
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formula: Mg3 Si2 H4 O9
compound: <missing>
pub_title: Effect of temperature on the structures of lizardite-1T and lizardite-2H1 Sample: T = 475 C
formula_title: <missing>
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b: 5.345
c: 14.662
alpha: 90
beta: 90
gamma: 120
cell_volume: 362.760
crystal_density: 2.537
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formula: Hg7 Cl2 O3
compound: <missing>
pub_title: Redetermination of the crystal structure of hanawaltite
formula_title: <missing>
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b: 13.890
c: 6.471
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beta: 90
gamma: 90
cell_volume: 1060.250
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formula: Pb2 Ag Cl3 O (F H)
compound: <missing>
formula_title: <missing>
a: 14.1273
b: 14.1273
c: 14.1273
alpha: 90
beta: 90
gamma: 90
cell_volume: 2819.535
crystal_density: 6.263
atoms_sites: ["Pb", "Ag", "Cl", "O-H", "F"]
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pub_title:
 Stereoactive lone-pair behavior of Pb in the crystal structure of
 bideauxite: Pb2AgCl3F(OH)
 Sample: CH

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formula: Pb2 Ag Cl3 O (F H)
compound: <missing>
formula_title: <missing>
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b: 14.1376
c: 14.1376
alpha: 90
beta: 90
gamma: 90
cell_volume: 2825.707
crystal_density: 6.249
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pub_title:
 Stereoactive lone-pair behavior of Pb in the crystal structure of
 bideauxite: Pb2AgCl3F(OH)
 Sample MPP

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formula: Ca Bi C O4 F
compound: <missing>
pub_title: Crystal-structure determination of twinned kettnerite
formula_title: <missing>
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b: 3.7976
c: 13.569
alpha: 90
beta: 90
gamma: 90
cell_volume: 195.689
crystal_density: 5.839
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formula: U C O5
compound: <missing>
pub_title: Refinement of the crystal structure of rutherfordine
formula_title: <missing>
a: 4.840
b: 9.273
c: 4.298
alpha: 90
beta: 90
gamma: 90
cell_volume: 192.900
crystal_density: 5.682
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formula: Fe.59 Te3.28 Ti.08 Mg.05 O8
compound: Wendy Open Pit, El Indio-Tambo Mining Property, Chile
pub_title: Walforite, a new tellurite species from the Wendy Open Pit, El Indio-Tambo Mining Property, Chile
formula_title: <missing>
a: 11.011
b: 11.011
c: 11.011
alpha: 90
beta: 90
gamma: 90
cell_volume: 1334.997
crystal_density: 5.816
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pub_title: Henrymeyerite, a new hollandite-type Ba-Fe titanate from the Kovdor Complex, Russia
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formula: Zr2 K Si12 Li3 O30
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 The crystal chemistry of Li-bearing minerals with the milarite-type structure:
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formula: (Sc1.52 Fe.48) Si6 Cs.1 O18.9 Na.44 Be3 H1.8
compound: Baveno granite, Piemonte, Italy
pub_title: Structure refinement of bazzite from pegmatitic and miarolitic occurrences
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 Sample: [Bi] phase

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 Bismutotantalite from northwestern Argentina: Description and
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compound: <missing>
pub_title: Refinement of the crystal structure of swedenborgite
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formula: Ba Si2 O9 H8
compound: Fresno County, California, USA
pub_title: Bigcreekite: A new barium silicate mineral species from Fresno County, California
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formula: Pb1.666 I.334 Cl O2
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pub_title: Trivalent iodine in the crystal structure of schwartzembergite, Pb5IO6H2Cl3
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pub_title:
 Alacranite, As4S4: A new occurrence, new formula, and determination
 of the crystal structure
 Note: This mineral was misidentified by the authors

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pub_title: The crystal structure of synthetic grimselite, K3Na[(UO2)(CO3)3](H2O)
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formula: Bi2 C O5
compound: <missing>
pub_title: A solution to the crystal structures of bismutite and beyerite
formula_title: <missing>
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compound: <missing>
pub_title: A solution to the crystal structures of bismutite and beyerite
formula_title: <missing>
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formula: Zn5 Cl2 O9 H10
compound: <missing>
pub_title: Simonkolleite, Zn5(OH)8Cl2(H2O), a decorated interrupted-sheet structure of the form [M_2]4
formula_title: <missing>
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formula: Cu2 Cl2 O
compound: Synthetic
formula_title: <missing>
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b: 9.5969
c: 9.700
alpha: 90
beta: 90
gamma: 90
cell_volume: 695.298
crystal_density: 4.089
atoms_sites: ["Cu", "Cl", "O"]
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pub_title:
 The cuprite-like framework of OCu4 tetrahedra in the crystal structure
 of synthetic melanothallite, Cu2OCl2, and its negative thermal expansion

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formula: Zn Sb2 O6
compound: Theodoso Soto Mine, Sapioris, Durango, Mexico
formula_title: <missing>
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b: 4.6638
c: 9.263
alpha: 90
beta: 90
gamma: 90
cell_volume: 201.480
crystal_density: 6.674
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pub_title:
 Ordonezite from the Theodoso Soto Mine, Sapioris, Durango, Mexico:
 New data and structure refinement

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formula: K Cd Cu7 Se2 O8 Cl9
compound: <missing>
pub_title: New Cu coordination polyhedra in the crystal structure of burnsite, KCdCu7O2(SeO3)2Cl9
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formula: Ca Mn1.18 Mg.34 As2 O10 H2.82
compound: Starlera Mn-deposit, Swiss Alps
formula_title: <missing>
a: 9.043
b: 6.2314
c: 7.3889
alpha: 90
beta: 116.392
gamma: 90
cell_volume: 372.972
crystal_density: 3.792
atoms_sites: ["Ca1", "Mn2", "Mg2", "As", "O-H1", "Wat1", "O2", "O3", "O4"]
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atoms_u_iso: AOEAALCaAACwmgAAYJ8AALAwAQCwMAEA4CgBAKAiAQDgWgEA
atoms_aniso_label: ["Ca1", "Mn2", "Mg2", "As", "O-H1", "Wat1", "O2", "O3", "O4"]
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pub_title:
 Description and crystal structure of manganlotharmeyerite,
 Ca(Mn,_,Mg)2{AsO4,[AsO2(OH)2]}2(OH,H2O)2, from the Starlera Mn-deposit,
 Swiss Alps, and a redefinition of lotharmeyerite

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formula: (Sc.904 Y.032 Yb.016 Zr.048) (P.952 Si.048) O4
compound: Saint-Aubin-des-Chateaux, Armorican Massif, France
formula_title: <missing>
a: 6.5870
b: 6.5870
c: 5.809
alpha: 90
beta: 90
gamma: 90
cell_volume: 252.044
crystal_density: 3.833
atoms_sites: ["Sc", "Y", "Yb", "Zr", "P", "Si", "O"]
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pub_title:
 Scandium mineralogy: pretulite with scandian zircon and xenotime-(Y)
 with an apatite-rich oolitic ironstone from Saint-Aubin-des-Chateaux,
 Armorican Massif, France

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formula: Fe.558 Mg.321 Mn.048 Ca.038 Cr.029 Zn.003 Ti.001 S
compound: <missing>
pub_title: The new mineral species keilite, (Fe,Mg)S, the iron-dominant analogue of niningerite
formula_title: <missing>
a: 5.20
b: 5.20
c: 5.20
alpha: 90
beta: 90
gamma: 90
cell_volume: 140.608
crystal_density: 3.635
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formula: Li Al Si2 O6
compound: <missing>
formula_title: <missing>
a: 9.504
b: 8.371
c: 5.204
alpha: 90
beta: 110.33
gamma: 90
cell_volume: 388.229
crystal_density: 3.184
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pub_title:
 A single-crystal neutron-diffraction investigation of spodumene at 54 K
 Sample: T = 54 K, neutron radiation

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compound: <missing>
formula_title: <missing>
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b: 8.403
c: 5.223
alpha: 90
beta: 110.14
gamma: 90
cell_volume: 390.585
crystal_density: 3.165
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pub_title:
 A single-crystal neutron-diffraction investigation of spodumene at 54 K
 Sample: T = 298 K, X-ray radiation

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formula: Cu2 Fe Sn S4
compound: <missing>
formula_title: <missing>
a: 5.4495
b: 5.4495
c: 10.726
alpha: 90
beta: 90
gamma: 90
cell_volume: 318.531
crystal_density: 4.482
atoms_sites: ["Cu(4d)", "Fe(2a)", "Sn(2b)", "S(8i)"]
atoms_x: AAAAAAAAAAAAAAAAiCEuAA==
atoms_y: gIQeAAAAAAAAAAAAiCEuAA==
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atoms_aniso_u13: 0
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pub_title:
 A model for the mechanism of incorporation of Cu, Fe and Zn in the
 stannite - kesterite series, Cu2FeSnS4 - Cu2ZnSnS4
 Sample: Fe100

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formula: (Cu2 Zn.2 Fe.8) Sn S4
compound: <missing>
formula_title: <missing>
a: 5.446
b: 5.446
c: 10.757
alpha: 90
beta: 90
gamma: 90
cell_volume: 319.041
crystal_density: 4.495
atoms_sites: ["Cu(4d)", "Zn(4d)", "Fe(4d)", "Fe(2a)", "Zn(2a)", "Cu(2a)", "Sn(2b)", "S(8i)"]
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pub_title:
 A model for the mechanism of incorporation of Cu, Fe and Zn in the
 stannite - kesterite series, Cu2FeSnS4 - Cu2ZnSnS4
 Sample: Fe080

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formula: (Cu2 Zn.5 Fe.5) Sn S4
compound: <missing>
formula_title: <missing>
a: 5.4329
b: 5.4329
c: 10.8235
alpha: 90
beta: 90
gamma: 90
cell_volume: 319.471
crystal_density: 4.519
atoms_sites: ["Cu(4d)", "Zn(4d)", "Fe(4d)", "Fe(2a)", "Zn(2a)", "Cu(2a)", "Sn(2b)", "S(8i)"]
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pub_title:
 A model for the mechanism of incorporation of Cu, Fe and Zn in the
 stannite - kesterite series, Cu2FeSnS4 - Cu2ZnSnS4
 Sample: Fe050

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formula_title: <missing>
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beta: 90
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pub_title:
 A model for the mechanism of incorporation of Cu, Fe and Zn in the
 stannite - kesterite series, Cu2FeSnS4 - Cu2ZnSnS4
 Sample: Fe030

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compound: <missing>
formula_title: <missing>
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pub_title:
 A model for the mechanism of incorporation of Cu, Fe and Zn in the
 stannite - kesterite series, Cu2FeSnS4 - Cu2ZnSnS4
 Sample: Fe020

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formula: Cu2 Zn Sn S4
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formula_title: <missing>
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pub_title:
 A model for the mechanism of incorporation of Cu, Fe and Zn in the
 stannite - kesterite series, Cu2FeSnS4 - Cu2ZnSnS4
 Sample: Fe000

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formula: U Bi O5 H
compound: Clara barite and fluorite mine, Black Forest, Germany
pub_title: Crystal structure and crystal chemistry of uranosphaerite, Bi(UO2)O2OH Note: natural sample
formula_title: <missing>
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formula: U Bi O5 H
compound: <missing>
pub_title: Crystal structure and crystal chemistry of uranosphaerite, Bi(UO2)O2OH Note: synthetic sample
formula_title: <missing>
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formula: U2 S O10 N2
compound: <missing>
pub_title: The crystal chemistry of the zippeite group Sample: SZIPPNH4II
formula_title: <missing>
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b: 8.7748
c: 17.1863
alpha: 90
beta: 90
gamma: 90
cell_volume: 2149.292
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formula: Ag (Fe2.88 Al.12) S2 O14 H6
compound: Tintic Standard mine at Dividend, central Utah
pub_title: The crystal structure of argentojarosite, AgFe3(SO4)2(OH)6
formula_title: <missing>
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b: 7.3398
c: 16.538
alpha: 90
beta: 90
gamma: 120
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crystal_density: 3.655
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formula: Be3 Si3 O12 Fe4 S
compound: <missing>
formula_title: <missing>
a: 8.2317
b: 8.2317
c: 8.2317
alpha: 90
beta: 90
gamma: 90
cell_volume: 557.787
crystal_density: 3.327
atoms_sites: ["Be", "Si", "O", "Fe", "S"]
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pub_title:
 The structure of danalite at high temperature obtained from
 synchrotron radiation and Rietveld refinements
 Sample: SC20, single crystal data at T = 20 degrees C

qdat:
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formula: As4 S5
compound: <missing>
formula_title: <missing>
a: 7.973
b: 8.096
c: 7.148
alpha: 90
beta: 101.01
gamma: 90
cell_volume: 452.907
crystal_density: 3.373
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pub_title:
 Uzonite, As4S5, from the type locality: Single-crystal X-ray study
 and effects of exposure to light

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formula: Ti Te3 O8
compound: Grand Central Mine, Tombstone, Arizona
pub_title: The crystal structure of winstanleyite, TiTe3O8, from the Grand Central Mine, Tombstone, Arizona
formula_title: <missing>
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b: 10.965
c: 10.965
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formula: Ba B2 Si2 O8
compound: Dara-i-Pioz alkaline massif, Northern Tajikistan
formula_title: <missing>
a: 8.141
b: 8.176
c: 9.038
alpha: 90
beta: 90
gamma: 90
cell_volume: 601.577
crystal_density: 3.788
atoms_sites: ["BaA", "BT1", "SiT2", "O1", "O2", "O3", "O4", "O5"]
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pub_title:
 Maleevite, BaB2Si2O8, and pekovite, SrB2Si2O8, new mineral species from the
 Dara-i-Pioz alkaline massif, Northern Tajikistan: Description and crystal structure

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formula: Sr B2 Si2 O8
compound: Dara-i-Pioz alkaline massif, Northern Tajikistan
formula_title: <missing>
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b: 7.919
c: 8.921
alpha: 90
beta: 90
gamma: 90
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crystal_density: 3.383
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pub_title:
 Maleevite, BaB2Si2O8, and pekovite, SrB2Si2O8, new mineral species from the
 Dara-i-Pioz alkaline massif, Northern Tajikistan: Description and crystal structure

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formula: Bi2 Se2 Te
compound: Kochkar deposit, southern Urals, Russia
formula_title: <missing>
a: 4.183
b: 4.183
c: 29.137
alpha: 90
beta: 90
gamma: 120
cell_volume: 441.521
crystal_density: 7.937
atoms_sites: ["Bi", "Se", "Te"]
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pub_title:
 The crystal structure of skippenite, Bi2Se2Te, from the Kochkar deposit,
 southern Urals, Russian Federation

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formula: U P Li O10 H8
compound: <missing>
pub_title: Monovalent cations in structures of the meta-autunite group Sample: LiUP
formula_title: Li[(UO2)(PO4)](H2O)4
a: 6.9555
b: 6.9555
c: 9.1389
alpha: 90
beta: 90
gamma: 90
cell_volume: 442.131
crystal_density: 3.335
atoms_sites: ["U", "P", "Li", "O1", "O2", "O3", "O4", "H1", "H2"]
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pub_title: Monovalent cations in structures of the meta-autunite group Sample: NaUP
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pub_title: Monovalent cations in structures of the meta-autunite group Sample: KUAs
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pub_title: Monovalent cations in structures of the meta-autunite group Sample: RbUP
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pub_title: Monovalent cations in structures of the meta-autunite group Sample: AgUP
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compound: <missing>
pub_title: Monovalent cations in structures of the meta-autunite group Sample: AgUAs
formula_title: Ag[(UO2)(AsO4)](H2O)3
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formula: U P O9.02 Tl.98
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pub_title: Monovalent cations in structures of the meta-autunite group Sample: TlUP
formula_title: Tl[(UO2)(PO4)](H2O)3
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formula: U As O7.008 Tl2.992
compound: <missing>
pub_title: Monovalent cations in structures of the meta-autunite group Sample: TlUAs
formula_title: Tl[(UO2)(AsO4)](H2O)3
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formula: Ca4 Al6 Cr O16
compound: <missing>
formula_title: Ca8[Al12O24](CrO4)2
a: 9.22351
b: 9.22351
c: 9.22351
alpha: 90
beta: 90
gamma: 90
cell_volume: 784.673
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pub_title:
 Chromate aluminate sodalite, Ca8[Al12O24](CrO4)2: Phase transitions
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 Sample: T = 463 C

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formula: (La.46 Ce.45 Nd.07 Pr.02) (O1.12 F.88)
compound: Bastnas deposit, Vastmanland, Sweden
formula_title: <missing>
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b: 5.6282
c: 5.6282
alpha: 90
beta: 90
gamma: 90
cell_volume: 178.282
crystal_density: 6.501
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pub_title:
 Haleniusite-(La) from the Bastnas deposit, Vastmanland, Sweden:
 A new REE oxyfluoride mineral species

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formula: Li Mn.933 Fe.062 P O4
compound: Bennett Quarry, Buckfield, Maine
formula_title: <missing>
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b: 10.429
c: 6.0923
alpha: 90
beta: 90
gamma: 90
cell_volume: 301.055
crystal_density: 3.456
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pub_title:
 Structural variation in the lithiophilite-triphylite series
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 Note: sample Trip06

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formula: Li Mn.704 Fe.265 P O4
compound: Fillow Quarry, Branchville, Connecticut
formula_title: <missing>
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c: 6.0705
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pub_title:
 Structural variation in the lithiophilite-triphylite series
 and other olivine-group structures
 Sample: Trip27

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formula: Li (Mn.497 Fe.503) P O4
compound: BB#7 Quarry, Norway, Maine
formula_title: <missing>
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b: 10.3826
c: 6.0499
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pub_title:
 Structural variation in the lithiophilite-triphylite series
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 Sample: Trip50

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formula: Li Mn.201 Mg.056 Fe.753 P O4
compound: Palermo
formula_title: <missing>
a: 4.7006
b: 10.341
c: 6.0166
alpha: 90
beta: 90
gamma: 90
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crystal_density: 3.551
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pub_title:
 Structural variation in the lithiophilite-triphylite series
 and other olivine-group structures
 Sample: Trip79

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formula: Li Mn.089 Mg.234 Fe.687 P O4
compound: G.E. Smith Quarry, Newport, New Hampshire
formula_title: <missing>
a: 4.6904
b: 10.2855
c: 5.9871
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beta: 90
gamma: 90
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atoms_aniso_u33: 0
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Structural variation in the lithiophilite-triphylite series
 and other olivine-group structures
 Sample: Trip89

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formula: Ag3 Au Se2
compound: De Lamar mine, Owyhee County, Idaho, USA
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c: 9.965
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pub_title:
 Structural and physical properties of fischesserite,
 a rare gold-silver selenide from the De Lamar mine, Owyhee County, Idaho, USA

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pub_title:
 Putzite, (Cu4.7Ag3.3)8GeS6, a new mineral species, from Capillitas, Catamarca,
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formula_title: <missing>
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beta: 90
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pub_title:
 The pyrophanite-ecandrewsite solid-solution: crystal structures
 of the Mn1-xZnxSiO3 series (0.1 <= x <= 0.8)
 Sample: x = .1, ilmenite structure

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pub_title:
 The pyrophanite-ecandrewsite solid-solution: crystal structures
 of the Mn1-xZnxSiO3 series (0.1 <= x <= 0.8)
 Sample: x = .3, ilmenite structure

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pub_title:
 The pyrophanite-ecandrewsite solid-solution: crystal structures
 of the Mn1-xZnxSiO3 series (0.1 <= x <= 0.8)
 Sample: x = .5, ilmenite structure

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pub_title:
 The pyrophanite-ecandrewsite solid-solution: crystal structures
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 Sample: x = .7, ilmenite structure

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pub_title:
 The pyrophanite-ecandrewsite solid-solution: crystal structures
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 Sample: x = .8, ilmenite structure

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compound: <missing>
formula_title: <missing>
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beta: 90
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pub_title:
 Crystal structure of copper-rich unsubstituted tennantite, Cu12.5As4S13
 Sample: Cerro Atajo, Catamarco, Argentina

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formula: Pd Sb Se
compound: <missing>
formula_title: <missing>
a: 6.3181
b: 6.3181
c: 6.3181
alpha: 90
beta: 90
gamma: 90
cell_volume: 252.208
crystal_density: 8.089
atoms_sites: ["Pd", "Sb", "Se"]
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pub_title:
 Milotaite, PdSbSe, a new palladium mineral species from Predborice, Czech Republic
 Sample: synthetic analog to milotaite

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formula_title: <missing>
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beta: 113.581
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pub_title:
 Composition and paragenesis of Na-, Nb-, and Zr-bearing titanite
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pub_title:
 Composition and paragenesis of Na-, Nb-, and Zr-bearing titanite
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formula: Ca1.08 Mg.92 C2 O6
compound: Lea County, New Mexico, USA
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cell_volume: 321.941
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pub_title:
 New insight into structural and compositional
 variability in some ancient excess-Ca dolomite
 Sample: M236-116, Phase I

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compound: Lea County, New Mexico, USA
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pub_title:
 New insight into structural and compositional
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 Sample: M236-116, Phase II

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formula: Ca1.07 Mg.93 C2 O6
compound: Lea County, New Mexico, USA
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pub_title:
 New insight into structural and compositional
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 Sample: M236-098, Phase I

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compound: Lea County, New Mexico, USA
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pub_title:
 New insight into structural and compositional
 variability in some ancient excess-Ca dolomite
 Sample: M236-098, Phase II

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formula: Ca1.07 Mg.93 C2 O6
compound: Coke County, Texas, USA
formula_title: <missing>
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c: 16.025
alpha: 90
beta: 90
gamma: 120
cell_volume: 321.271
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pub_title:
 New insight into structural and compositional
 variability in some ancient excess-Ca dolomite
 Sample: 821-545, Phase I

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formula: Ca1.14 Mg.86 C2 O6
compound: Coke County, Texas, USA
formula_title: <missing>
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alpha: 90
beta: 90
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cell_volume: 324.353
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pub_title:
 New insight into structural and compositional
 variability in some ancient excess-Ca dolomite
 Sample: 821-545, Phase II

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formula: Ca (Mg.67 Fe.33) C2 O6
compound: <missing>
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beta: 90
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pub_title:
 New insight into structural and compositional
 variability in some ancient excess-Ca dolomite
 Sample: "Ankerite"

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formula: Ca.8 Mg1.2 Si2 O6
compound: Synthetic
formula_title: <missing>
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beta: 106.357
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pub_title:
 Rietveld refinement of clinopyroxenes with intermediate
 Ca-content along the join diopside-enstatite
 Sample: Di80En20

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formula_title: <missing>
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pub_title:
 Rietveld refinement of clinopyroxenes with intermediate
 Ca-content along the join diopside-enstatite
 Sample: Di70En30

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compound: Synthetic
formula_title: <missing>
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pub_title:
 Rietveld refinement of clinopyroxenes with intermediate
 Ca-content along the join diopside-enstatite
 Sample: Di59En41

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formula: Cu.33 Pb.338 Bi1.662 S3
compound: Synthetic
formula_title: <missing>
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beta: 90
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pub_title:
 Interpretation of selected structures of the bismuthinite - aikinite series as
 commensurately modulated structures

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formula_title: <missing>
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beta: 90
gamma: 90
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pub_title:
 Interpretation of selected structures of the bismuthinite - aikinite series as
 commensurately modulated structures
 Sample: oversubstituted gladite

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pub_title:
 Interpretation of selected structures of the bismuthinite - aikinite series as
 commensurately modulated structures

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formula_title: <missing>
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pub_title:
 Interpretation of selected structures of the bismuthinite - aikinite series as
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formula: Ag Fe S2
compound: Gies gold-silver telluride deposit, Judith Mountains, Montana, USA
formula_title: <missing>
a: 5.4371
b: 5.4371
c: 10.8479
alpha: 90
beta: 90
gamma: 90
cell_volume: 320.686
crystal_density: 4.719
atoms_sites: ["Ag", "Fe", "S"]
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pub_title:
 Lenaite from the Gies gold-silver telluride deposit, Judith Mountains, Montana, USA:
 occurrence, composition, and crystal structure

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formula: Ba U Ti O6
compound: Synthetic
formula_title: Ba2[(UO2)2Ti2O8]
a: 6.4463
b: 8.5999
c: 10.2532
alpha: 90
beta: 75.936
gamma: 90
cell_volume: 551.374
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pub_title:
 The crystal chemistry, structure and properties
 of a synthetic carnotite-type compound, Ba2[(UO2)2Ti2O8]

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formula: (Cu1.9 Ag.1) Pd3 Se4
compound: El Chire, La Rioja, Argentina
pub_title: The crystal structures of jagueite, Cu2Pd3Se4, and chrisstanleyite, Ag2Pd3Se4
formula_title: <missing>
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c: 6.264
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formula: Ag1.592 Cu.4 Pd3 Se4
compound: El Chire, La Rioja, Argentina
pub_title: The crystal structures of jagueite, Cu2Pd3Se4, and chrisstanleyite, Ag2Pd3Se4
formula_title: <missing>
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c: 6.341
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formula: Ba.882 Al3 P2 O14 H7
compound: Rapid Creek area, Yukon Territory, Canada
formula_title: <missing>
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b: 7.0538
c: 17.2746
alpha: 90
beta: 90
gamma: 120
cell_volume: 744.363
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pub_title:
 The symmetry and crystal structure of gorceixite, BaAl3[PO3(O,OH)]2(OH)6, a
 member of the alunite supergroup

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formula: (Ca.9 Na.1) (Ti.9 Nb.1) Si O5
compound: <missing>
pub_title: Solid solutions of niobium in synthetic titanite Sample: NaNb1
formula_title: <missing>
a: 7.0815
b: 8.7175
c: 6.5750
alpha: 90
beta: 113.853
gamma: 90
cell_volume: 371.225
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formula: (Ca.8 Na.2) (Ti.8 Nb.2) Si O5
compound: <missing>
pub_title: Solid solutions of niobium in synthetic titanite Sample: NaNb2
formula_title: <missing>
a: 7.0952
b: 8.7172
c: 6.5824
alpha: 90
beta: 113.982
gamma: 90
cell_volume: 371.978
crystal_density: 3.600
atoms_sites: ["CaX", "NaX", "TiY", "NbY", "Si", "O1", "O2", "O3"]
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pub_title:
 The pyrophanite-geikielite solid-solution series: crystal structures of the
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pub_title:
 The pyrophanite-geikielite solid-solution series: crystal structures of the
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pub_title:
 The pyrophanite-geikielite solid-solution series: crystal structures of the
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pub_title:
 The pyrophanite-geikielite solid-solution series: crystal structures of the
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pub_title:
 The pyrophanite-geikielite solid-solution series: crystal structures of the
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pub_title:
 The pyrophanite-geikielite solid-solution series: crystal structures of the
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pub_title:
 The pyrophanite-geikielite solid-solution series: crystal structures of the
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formula: Ce Ba C2 O6 F
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pub_title: Qaqarssukite-(Ce), a new barium-cerium fluorcarbonate mineral species from Qaqarssuk, Greenland
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formula: Be.84 (V1.5 Ti1.5) O6
compound: Byrud farm, Eidsvoll, Akershus, South Norway
pub_title: The crystal structure of (Be,_)(V,Ti)3O6, a mineral related to kyzylkumite
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formula: Sn6 Si O8
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pub_title:
 The structures of two novel Sn2+ oxysalts found with romarchite and
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formula: Cu6 Ge W S8
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pub_title:
 Catamarcaite, Cu6GeWS8, a new germanium sulfide mineral species from
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formula: Cu3.081 Ni.903 Co.012 Fe.004 Cl2 O6 H6
compound: 132N deposit, Widgiemooltha, Australia
formula_title: <missing>
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pub_title:
 The structure of gillardite, the Ni-analogue of herbertsmithite, from
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formula_title: <missing>
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pub_title:
 The crystal structure of leningradite, PbCu3(VO4)2Cl2
 Note: Changed signs of Cu2(y) and Cl(y) by personal communication with Krivovichev

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formula: K Np P O9 H6
compound: <missing>
formula_title: K(NpO2)(PO4)(H2O)3
a: 6.9564
b: 6.9564
c: 17.826
alpha: 90
beta: 90
gamma: 90
cell_volume: 862.627
crystal_density: 3.520
atoms_sites: ["K", "Np", "P", "O1", "O2", "O3", "Wat4"]
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pub_title:
 The crystal structures of X(NpO2)(PO4)(H2O)3 (X = K+, Na+, Rb+, NH4+) and
 their relationship to the autunite group
 Sample: KP1

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formula: Na Np P O9 H6
compound: <missing>
formula_title: Na(NpO2)(PO4)(H2O)3
a: 7.005
b: 7.005
c: 16.986
alpha: 90
beta: 90
gamma: 90
cell_volume: 833.503
crystal_density: 3.514
atoms_sites: ["Na", "Np", "P", "O1", "O2", "O3", "Wat4A", "Wat4B"]
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pub_title:
 The crystal structures of X(NpO2)(PO4)(H2O)3 (X = K+, Na+, Rb+, NH4+) and
 their relationship to the autunite group
 Sample: NaP1

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formula: (Rb Np) P O9 H6
compound: <missing>
formula_title: Rb(NpO2)(PO4)(H2O)3
a: 7.031
b: 7.031
c: 17.87
alpha: 90
beta: 90
gamma: 90
cell_volume: 883.403
crystal_density: 3.786
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pub_title:
 The crystal structures of X(NpO2)(PO4)(H2O)3 (X = K+, Na+, Rb+, NH4+) and
 their relationship to the autunite group
 Sample: RbP1

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formula: (N Np) P O9 H6
compound: <missing>
formula_title: NH4(NpO2)(PO4)(H2O)3
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b: 6.9843
c: 18.023
alpha: 90
beta: 90
gamma: 90
cell_volume: 879.170
crystal_density: 3.264
atoms_sites: ["NH4", "Np", "P", "O1", "O2", "O3", "Wat4"]
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pub_title:
 The crystal structures of X(NpO2)(PO4)(H2O)3 (X = K+, Na+, Rb+, NH4+) and
 their relationship to the autunite group
 Sample: NH4P1

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formula: V S O5
compound: Great Fissure Tolbachik eruption, Kamchatka Peninsula, Russia
formula_title: <missing>
a: 7.3890
b: 6.2740
c: 7.0788
alpha: 90
beta: 90
gamma: 90
cell_volume: 328.163
crystal_density: 3.299
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atoms_aniso_u13: wOD//6D2///QBwAA8PH//7DS//8gHAAA
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pub_title:
 Pauflerite, B-VO(SO4), a new mineral species from the Tolbachik volcano,
 Kamchatka Peninsula, Russia

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formula: Cu5 Se2 Cl2 O8
compound: Great Fissure Tolbachik eruption, Kamchatka Peninsula, Russia
pub_title: The crystal structure of parageorgbokiite, B-Cu5O2(SeO3)2Cl2
formula_title: <missing>
a: 5.3982
b: 8.0543
c: 11.1277
alpha: 90
beta: 99.258
gamma: 90
cell_volume: 477.516
crystal_density: 4.691
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formula: K6 Cu Fe24 S26 Cl
compound: Guli dunite complex, Polar Siberia, Russia
formula_title: <missing>
a: 10.385
b: 10.385
c: 10.385
alpha: 90
beta: 90
gamma: 90
cell_volume: 1120.004
crystal_density: 3.718
atoms_sites: ["K", "Cu", "Fe", "S2", "S3", "S4", "Cl1"]
atoms_x: AAAAAICEHgAoQwgACCUPAICEHgCA6g0AAAAAAA==
atoms_y: AAAAAICEHgCoaRYAgIQeAICEHgCA6g0AAAAAAA==
atoms_z: cDcSAICEHgCoaRYAAAAAAEjQDwCA6g0AAAAAAA==
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atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Djerfisherite in the Guli dunite complex, Polar Siberia: a primary or
 metasomatic phase?
 Note: Occupancy of Cl1 was changed from S1 to reproduce chemical formula

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formula: Ni2 Sb Te2
compound: Synthetic
formula_title: <missing>
a: 3.9090
b: 3.9090
c: 15.6820
alpha: 90
beta: 90
gamma: 120
cell_volume: 207.522
crystal_density: 7.911
atoms_sites: ["Ni", "Sb", "Te"]
atoms_x: AAAAAFVYFABVWBQA
atoms_y: AAAAAKuwKACrsCgA
atoms_z: EB0KAEBCDwCA1CMA
atoms_occupancy: 0
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pub_title:
 Vavrinite, Ni2SbTe2, a new mineral species from the Kunratice Cu-Ni sulfide
 deposit, Czech Republic

qdat:
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formula: K2 Si F6
compound: La Fossa Crater, Vulcano Island, Aeolian Archipelago, Sicily, Italy
pub_title: Demartinite, a new polymorph of K2SiF6 from La Fossa Crater, Vulcano, Aeolian Islands, Italy
formula_title: <missing>
a: 5.6461
b: 5.6461
c: 9.2322
alpha: 90
beta: 90
gamma: 120
cell_volume: 254.878
crystal_density: 2.870
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qdat:
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formula: Hg3 Sb As S3
compound: Gomi deposit, Rioni River Valley, Caucacus Mountains, Georgia
pub_title: The crystal structure of tvalchrelidzeite, Hg3SbAsS3, and a revision of its chemical formula
formula_title: <missing>
a: 11.5526
b: 4.3852
c: 15.6373
alpha: 90
beta: 91.845
gamma: 90
cell_volume: 791.782
crystal_density: 7.505
atoms_sites: ["Hg1", "Hg2", "Hg3", "Sb", "As", "S1", "S2", "S3"]
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formula: Ca4 B3 Mn3 C O15
compound: Wessels mine, Kalahari manganese field, South Africa
formula_title: <missing>
a: 10.60791
b: 10.60791
c: 5.88603
alpha: 90
beta: 90
gamma: 120
cell_volume: 573.605
crystal_density: 3.529
atoms_sites: ["Ca1", "Ca2", "B", "Mn", "C", "O1", "O2", "O3", "OC"]
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atoms_u_iso: 4JIAAJB+AABwSQAAwF0AAIBkAgDgkgAAoNcAADALAQBQZgMA
atoms_aniso_label: ["Ca1", "Ca2", "B", "Mn", "C", "O1", "O2", "O3", "OC"]
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atoms_aniso_u13: AAAAAAAAAAAAAAAAgNr//wAAAAAAAAAAAAAAAJDo///gNP//
atoms_aniso_u23: AAAAAAAAAAAAAAAAwCsAAAAAAAAAAAAAAAAAAPDx//+QWQIA
pub_title:
 Gaudefroyite, Ca8Mn3+6[(BO3)6(CO3)2O6]: high-temperature crystal structure
 Sample: HRPXRD, T = 25 C

qdat:
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formula: Zn2.64 Co.15 V2 O11 H6
compound: Blue Cap mine, San Juan County, Utah
pub_title: Martyite, a new mineral species related to volborthite: Description and crystal structure
formula_title: <missing>
a: 6.0818
b: 6.0818
c: 7.1793
alpha: 90
beta: 90
gamma: 120
cell_volume: 229.973
crystal_density: 3.360
atoms_sites: ["Zn", "Co", "V", "O1", "O2", "O-h", "Ow", "Hw", "H-OH"]
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atoms_u_iso: ECEBABAhAQDQnQAAkF8BACDeAQCA7QAA0NAEAEANAwBADQMA
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qdat:
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formula: K2 Al F3 S O4
compound: La Fossa crater, Vulcano, Aeolian Islands, Italy
formula_title: <missing>
a: 10.810
b: 8.336
c: 6.822
alpha: 90
beta: 90
gamma: 90
cell_volume: 614.745
crystal_density: 2.790
atoms_sites: ["K", "Al", "F1", "F2", "S", "O1", "O2"]
atoms_x: oHYqAICEHgBggDMAgIQeAAAAAABg4vn/AMf8/w==
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atoms_occupancy: 0
atoms_u_iso: gGoBAGCfAADgDwEAMPIAAFDDAADQfgEAIOQAAA==
atoms_aniso_label: ["K", "Al", "F1", "F2", "S", "O1", "O2"]
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atoms_aniso_u23: 4H///wAAAACw6///AAAAAAAAAACgWgAA0CAAAA==
pub_title:
 Thermessaite, K2[AlF3|SO4], a new ino-aluminofluoride-sulfate from La Fossa crater, Vulcano, Aeolian Islands, Italy
 Note: z-coordinate of S altered

qdat:
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formula: Tl Pb2 Cl5
compound: <missing>
formula_title: <missing>
a: 8.9477
b: 7.9218
c: 12.4955
alpha: 90
beta: 90.092
gamma: 90
cell_volume: 885.703
crystal_density: 5.970
atoms_sites: ["Tl", "Pb1", "Pb2", "Cl1", "Cl2", "Cl3", "Cl4", "Cl5"]
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atoms_aniso_label: ["Tl", "Pb1", "Pb2", "Cl1", "Cl2", "Cl3", "Cl4", "Cl5"]
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pub_title:
 Hephaistosite, TlPb2Cl5, a new thallium mineral series from La Fossa Crater,
 Vulcano, Aeolian Islands, Italy
 Location: La Fossa Crater, Vulcano, Aeolian Islands, Italy

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formula: Na4 Al3 Si3 O12 Cl
compound: Bancroft, Ontario
formula_title: <missing>
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beta: 90
gamma: 90
cell_volume: 700.388
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pub_title:
 State-of-the-art high-resolution powder x-ray diffraction (HRPXRD) illustrated
 with Rietveld structure refinement of quartz, sodalite, tremolite, and meionite

qdat:
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formula: Si O2
compound: not specified
formula_title: <missing>
a: 4.913437
b: 4.913437
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alpha: 90
beta: 90
gamma: 120
cell_volume: 113.007
crystal_density: 2.649
atoms_sites: ["Si", "O"]
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pub_title:
 State-of-the-art high-resolution powder x-ray diffraction (HRPXRD) illustrated
 with Rietveld structure refinement of quartz, sodalite, tremolite, and meionite

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formula: Na Al Si2 O6
compound: Hweka and Mamon mining district, Burma
formula_title: <missing>
a: 9.41591
b: 8.55521
c: 5.22073
alpha: 90
beta: 107.5641
gamma: 90
cell_volume: 400.950
crystal_density: 3.349
atoms_sites: ["Na", "Al", "Si", "O1", "O2", "O3"]
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atoms_aniso_u23: 0
pub_title:
 Powder neutron-diffraction studies of clinopyroxenes. I. The crystal structure
 and thermoelastic properties of jadeite between 1.5 and 270 K
 Note: T = 2.4 K

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