# cif

formula: Ba.76 Sr.88 K.04 Na2.12 La.1 Ca.04 Ce.02 Mn.03 P2 O8
compound: Lovozero alkaline massif, Kola Peninsula, Russia
formula_title: <missing>
a: 5.5606
b: 5.5606
c: 7.0450
alpha: 90
beta: 90
gamma: 120
cell_volume: 188.649
crystal_density: 3.888
atoms_sites: ["BaM1", "SrM1", "KM1", "NaM2", "SrM2", "LaM2", "CaM2", "CeM2", "NaM3", "MnM3", "P", "O1", "O2"]
atoms_x: AAAAAAAAAAAAAAAAVVgUAFVYFABVWBQAVVgUAFVYFAAAAAAAAAAAAKuwKADwmRYAq7AoAA==
atoms_y: AAAAAAAAAAAAAAAAq7AoAKuwKACrsCgAq7AoAKuwKAAAAAAAAAAAAFVYFAD4TAsAVVgUAA==
atoms_z: gIQeAICEHgCAhB4AIPkJACD5CQAg+QkAIPkJACD5CQAAAAAAAAAAACAzEQDwcQwAEFQeAA==
atoms_occupancy: AGMuAAA1DAAAcQIAYBgjAIDAFABADQMAgDgBAECcAABANDsAwNQBAAAJPQAACT0AAAk9AA==
atoms_u_iso: oDUCAKA1AgCgNQIAIEgBACBIAQAgSAEAIEgBACBIAQCQ4gAAkOIAALDMAACAZAIAEBsCAA==
atoms_aniso_label: ["BaM1", "SrM1", "KM1", "NaM2", "SrM2", "LaM2", "CaM2", "CeM2", "NaM3", "MnM3", "P", "O1", "O2"]
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atoms_aniso_u22: gOECAIDhAgCA4QIAQGQBAEBkAQBAZAEAQGQBAEBkAQAw8gAAMPIAAPDSAADQwwIAgK8CAA==
atoms_aniso_u33: wNoAAMDaAADA2gAA4A8BAOAPAQDgDwEA4A8BAOAPAQBQwwAAUMMAADDAAABwiAIAYOoAAA==
atoms_aniso_u12: wHABAMBwAQDAcAEAILIAACCyAAAgsgAAILIAACCyAADgeQAA4HkAAEBqAADQtgAA4FoBAA==
atoms_aniso_u13: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAADQ9P7/AAAAAA==
atoms_aniso_u23: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAwe///AAAAAA==
pub_title:
 Refinement of the crystal structure and revision of the
 chemical formula of olgite: (Ba,Sr) (Na,Sr,REE)2 Na [PO4]2
 Sample: I

qdat:
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formula: Ba.88 Sr.78 Na2.2 Ce.06 La.04 Ca.04 P2 O8
compound: Lovozero alkaline massif, Kola Peninsula, Russia
formula_title: <missing>
a: 5.5492
b: 5.5492
c: 7.0286
alpha: 90
beta: 90
gamma: 120
cell_volume: 187.439
crystal_density: 3.945
atoms_sites: ["BaM1", "SrM1", "NaM2", "SrM2", "CeM2", "LaM2", "NaM3", "CaM3", "P", "O1", "O2"]
atoms_x: AAAAAAAAAABVWBQAVVgUAFVYFABVWBQAAAAAAAAAAABVWBQAoJ4WAFVYFAA=
atoms_y: AAAAAAAAAACrsCgAq7AoAKuwKACrsCgAAAAAAAAAAACrsCgAUE8LAKuwKAA=
atoms_z: gIQeAICEHgA49QkAOPUJADj1CQA49QkAAAAAAAAAAADQxysAAIAMAHCoHgA=
atoms_occupancy: ALY1AABTBwCA1yUAQCQUAMDUAQCAOAEAAJg6AABxAgAACT0AAAk9AAAJPQA=
atoms_u_iso: 0HgCANB4AgBwXAEAcFwBAHBcAQBwXAEA0AEBANABAQDg3QAAwJwCAFA6AgA=
atoms_aniso_label: ["BaM1", "SrM1", "NaM2", "SrM2", "CeM2", "LaM2", "NaM3", "CaM3", "P", "O1", "O2"]
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atoms_aniso_u22: 8EMDAPBDAwDwgQEA8IEBAPCBAQDwgQEAUA4BAFAOAQBg6gAAsAsDAGDeAgA=
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atoms_aniso_u13: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA4ND+/wAAAAA=
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pub_title:
 Refinement of the crystal structure and revision of the
 chemical formula of olgite: (Ba,Sr) (Na,Sr,REE)2 Na [PO4]2
 Sample: III

qdat:
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formula: Na8.74 Ca1.4 Mn.68 Sr.03 Mg.3 Ti1.41 Nb.19 Zr.185 Fe.065 P3 Si2 O21 F2
compound: Khibina-Lovozero alkaline complex, Kola peninsula, Russia
pub_title: Polyphite and sobolevite: Revision of their crystal structures
formula_title: <missing>
a: 5.3933
b: 7.0553
c: 26.451
alpha: 95.216
beta: 93.490
gamma: 90.101
cell_volume: 1000.443
crystal_density: 3.097
atoms_sites:
["Na1", "Na2", "Na3", "Na4", "Na5", "CaA1", "NaA1", "MnA1", "SrA1", "NaA2", "MnA2", "MgA2", "CaA2", "NaA3", "CaA3", "MnA3", "NaA4", "CaA4", "MnA4", "NaA5", "CaA5", "NaA6", "CaA6", "TiM1", "NbM1", "ZrM1", "TiM2", "ZrM2", "MgM2", "Fe2+M2", "MnM2", "P1", "P2", "P3", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "O16", "O17", "O18", "O19", "O20", "O21", "F1", "F2"]

atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

atoms_u_iso:

atoms_aniso_label:
["Na1", "Na2", "Na3", "Na4", "Na5", "CaA1", "NaA1", "MnA1", "SrA1", "NaA2", "MnA2", "MgA2", "CaA2", "NaA3", "CaA3", "MnA3", "NaA4", "CaA4", "MnA4", "NaA5", "CaA5", "NaA6", "CaA6", "TiM1", "NbM1", "ZrM1", "TiM2", "ZrM2", "MgM2", "Fe2+M2", "MnM2", "P1", "P2", "P3", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "O16", "O17", "O18", "O19", "O20", "O21", "F1", "F2"]

atoms_aniso_u11:

atoms_aniso_u22:

atoms_aniso_u33:

atoms_aniso_u12:

atoms_aniso_u13:

atoms_aniso_u23:

qdat:
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formula: Na13.62 Ca1.63 Sr.03 Mn1.02 Ti2.42 Nb.51 Fe.1 Zr.09 Mg.41 P4 Si4 O33 F3
compound: Khibina-Lovozero alkaline complex, Kola peninsula, Russia
pub_title: Polyphite and sobolevite: Revision of their crystal structures
formula_title: <missing>
a: 7.0755
b: 5.4106
c: 40.623
alpha: 90
beta: 93.156
gamma: 90
cell_volume: 1552.800
crystal_density: 3.091
atoms_sites:
["Na1", "Na2", "Na3", "Na4", "Na5", "Na6", "Na7", "Na8", "Na9", "Na10", "Na11", "Na12", "NaA1", "CaA1", "SrA1", "NaA2", "MnA2", "CaA2", "NaA3", "CaA3", "MnA3", "TiM1", "NbM1", "Fe3+M1", "ZrM1", "MgM1", "TiM2", "NbM2", "Fe3+M2", "MgM2", "TiM3", "MnM3", "MgM3", "NbM3", "ZrM3", "TiM4", "MnM4", "MgM4", "NbM4", "Ca", "P1", "P2", "P3", "P4", "Si1", "Si2", "Si3", "Si4", "O1", "O2", "F2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "O16", "O17", "O18", "O19", "O20", "O21", "O22", "O23", "F23", "O24", "O25", "O26", "O27", "O28", "O29", "O30", "O31", "O32", "O33", "O34", "F1", "F2"]

atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

atoms_u_iso:

atoms_aniso_label:
["Na1", "Na2", "Na3", "Na4", "Na5", "Na6", "Na7", "Na8", "Na9", "Na10", "Na11", "Na12", "NaA1", "CaA1", "SrA1", "NaA2", "MnA2", "CaA2", "NaA3", "CaA3", "MnA3", "TiM1", "NbM1", "Fe3+M1", "ZrM1", "MgM1", "TiM2", "NbM2", "Fe3+M2", "MgM2", "TiM3", "MnM3", "MgM3", "NbM3", "ZrM3", "TiM4", "MnM4", "MgM4", "NbM4", "Ca", "P1", "P2", "P3", "P4", "Si1", "Si2", "Si3", "Si4", "O1", "O2", "F2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O16", "O17", "O18", "O19", "O20", "O21", "O22", "O23", "F23", "O24", "O25", "O26", "O27", "O28", "O29", "O30", "O31", "O32", "O33", "O34", "F1", "F2"]

atoms_aniso_u11:

atoms_aniso_u22:

atoms_aniso_u33:

atoms_aniso_u12:

atoms_aniso_u13:

atoms_aniso_u23:

qdat:
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formula: U5.31 Ti3 Ca.75 O32.46 H19.96
compound: Searle Canyon, Thomas Range, Utah, USA
formula_title: <missing>
a: 10.824
b: 10.824
c: 7.549
alpha: 90
beta: 90
gamma: 120
cell_volume: 765.941
crystal_density: 4.286
atoms_aniso_label: ["U1A", "U1B", "U1C", "U2", "Ti1", "Ti2", "Ti3", "Ti4"]
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atoms_aniso_u22: QIoDAIBtDQCgCQEAANAHAED7BQCg8QQAwFcBAOAiAgA=
atoms_aniso_u33: AAAAADCmAQBA7wcAAAAAAAAAAAAAAAAAAAAAAAAAAAA=
atoms_aniso_u12: YPz9/yCbCAAg3f3/4C4AAKD9AgAAcQIA4KsAAKAJAQA=
atoms_aniso_u13: UC0AAKAh/f8gywAAoPb//wAAAAAAAAAAAAAAAAAAAAA=
atoms_aniso_u23: YDsAAIBK/v/gKAEAQKL//wAAAAAAAAAAAAAAAAAAAAA=
pub_title:
 The OD (order-disorder) structure of holfertite, a hydrated uranyl
 titanate mineral from Searle Canyon, Thomas Range, Utah, USA

atoms_sites:
["U1A", "U1B", "U1C", "U2", "Ti1", "Ti2", "Ti3", "Ti4", "Ca", "O1", "O2", "O3", "O4", "O-H5", "O6", "O7", "O8", "O-H9", "O10", "O11", "O12", "Wat13", "Wat14", "Wat15", "Wat16", "Wat17", "Wat18", "Wat19"]

atoms_x:
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atoms_y:
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atoms_z:
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atoms_occupancy:
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atoms_u_iso:
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qdat:
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formula: Na.54 Ca.14 K.01 Al8.46 Fe.78 Mn.06 Mg.12 Si5.58 B3 O31 F.01 H2.49
compound: Kutna Hora, Czech Republic
formula_title: <missing>
a: 15.8838
b: 15.8838
c: 7.1056
alpha: 90
beta: 90
gamma: 120
cell_volume: 1552.531
crystal_density: 3.158
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Fe-bearing olenite with tetrahedrally coordinated Al
 from an abyssal pegmatite at Kutna Hora, Czech Republic:
 structure, crystal chemistry, optical and xanes spectra

atoms_sites:
["NaX", "CaX", "KX", "AlY", "Fe2+Y", "Mn2+Y", "AlZ", "MgZ", "SiT", "AlT", "B", "O1W", "FW", "O2", "O3V", "O4", "O5", "O6", "O7", "O8", "H3V"]

atoms_x:
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atoms_y:
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atoms_z:
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atoms_occupancy:
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atoms_u_iso:
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qdat:
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formula: Ca1.311 La.274 Ce.196 Nd.111 Pr.101 Th.006 Y.001 Al1.871 Fe1.009 Mg.12 Si3 O13 H
compound: Buca della Vena mine, near Stazzema, Apuan Alps, Tuscany, Italy
pub_title: Allanite-(La) from Buca della Vena mine, Apuan Alps, Italy, an epidote-group mineral
formula_title: <missing>
a: 8.914
b: 5.726
c: 10.132
alpha: 90
beta: 114.87
gamma: 90
cell_volume: 469.195
crystal_density: 3.913
atoms_sites:
["CaA1", "CaA2", "LaA2", "CeA2", "NdA2", "PrA2", "ThA2", "YA2", "AlM1", "Fe3+M1", "AlM2", "Fe2+M3", "Fe3+M3", "MgM3", "Si1", "Si2", "Si3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "H10"]

atoms_x:
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atoms_y:
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atoms_z:
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atoms_aniso_label:
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qdat:
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compound: Poudrette Quarry, Mont Saint-Hilaire, Rouville County, Quebec, Canada
formula_title: <missing>
a: 14.2675
b: 14.2675
c: 30.0369
alpha: 90
beta: 90
gamma: 120
cell_volume: 5295.189
crystal_density: 3.267
formula:
Na11.85 Ce.69 La.36 Y.24 Dy.03 Sr.51 Ca5.67 K.15 Pr.24 Nd.18 Gd.06 Mn2.55 Fe.81 (Zr2.7 Ti.3) W.82 Nb.16 Si24.96 O81.38 C (Cl1.5 H.5)

pub_title:
 Johnsenite-(Ce): A new member of the eudialyte group from Mont Saint-Hilaire, Quebec, Canada
 Note: Occupancies invented to satisfy constraints from paper

atoms_sites:
["NaN1a", "NaN1b", "NaN2", "NaN3", "NaN5", "CeN4", "LaN4", "YN4", "DyN4", "SrN4", "CaN4", "KN4", "CaM1", "PrM1", "NdM1", "GdM1", "MnM1", "MnM25", "FeM25", "MnM24", "FeM24", "ZrZ", "TiZ", "WM3", "NbM3", "SiM4", "Si1", "Si2", "Si3", "Si4", "Si5", "Si6", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "O16", "O17", "O18", "O19", "O20", "CX1a", "OX1b", "ClX2a", "O-HX2a", "ClX2b", "O-HX2b"]

atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

atoms_u_iso:

atoms_aniso_label:
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formula: Tl6 Ag2.63 Cu6.37 As8.55 Sb.45 S21
compound: Lengenbach, Switzerland
formula_title: <missing>
a: 12.138
b: 12.196
c: 15.944
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beta: 84.715
gamma: 60.470
cell_volume: 2012.655
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pub_title:
 The crystal structure of gabrielite, Tl2AgCu2As3S7, a new species
 of thallium sulfosalt from Lengenbach, Switzerland

atoms_sites:
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formula: Pb2.962 Bi1.962 S5.76 Se.24
compound: Vulcano, Aeolian Islands, Italy
formula_title: <missing>
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pub_title:
 Comparative crystal-structure study of Ag-free lillianite
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cell_volume: 703.700
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pub_title:
 Comparative crystal-structure study of Ag-free lillianite
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formula: Pb10 Bi2.16 As3.84 S19
compound: lead-zinc deposit of Aghios Philippos, near Kirki, in Thrace, Greece
pub_title: The crystal structure of kirkiite, Pb10Bi3As3S19
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formula: Cu Pb Bi5 S9
compound: <missing>
formula_title: <missing>
a: 4.0044
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alpha: 90
beta: 90
gamma: 90
cell_volume: 1543.411
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pub_title:
 Interpretation of selected structures of the bismuthinite - aikinite
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 Sample: superspace refinement

atoms_sites:
["Cu", "PbM21", "BiM22", "BiM23", "BiM11", "BiM12", "BiM13", "S11", "S12", "S13", "S21", "S22", "S23", "S31", "S32", "S33"]

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formula: Cu Pb Bi5 S9
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formula_title: <missing>
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pub_title:
 Interpretation of selected structures of the bismuthinite - aikinite
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 Sample: supercell refinement

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

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formula: Ag Fe S2
compound: Gies gold-silver telluride deposit, Judith Mountains, Montana, USA
formula_title: <missing>
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b: 5.4371
c: 10.8479
alpha: 90
beta: 90
gamma: 90
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crystal_density: 4.719
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pub_title:
 Lenaite from the Gies gold-silver telluride deposit, Judith Mountains, Montana, USA:
 occurrence, composition, and crystal structure

qdat:
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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
crystal_density: 6.255
atoms_sites: ["Ba", "U", "Ti", "O1", "O2", "O3", "O4", "O5", "O6"]
atoms_x: sPIbADBvAQAAvQYAwNsEAEDxDwCgGhMAIMA4ABBAAACwzyUA
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atoms_aniso_label: "<missing>"
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pub_title:
 The crystal chemistry, structure and properties
 of a synthetic carnotite-type compound, Ba2[(UO2)2Ti2O8]

qdat:
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formula: Pb1.14 Bi1.85 S3.738 Se.094 Cl.168
compound: Vulcano, Aeolian Islands, Italy
formula_title: <missing>
a: 11.832
b: 14.640
c: 4.0817
alpha: 90
beta: 90
gamma: 90
cell_volume: 707.034
crystal_density: 7.103
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pub_title:
 Rare sulfosalts from Vulcano, Aeolian Islands, Italy. VII. Cl-bearing galenobismutite
 Sample: FF-1991a

atoms_sites:
["PbM3", "BiM1", "BiM2", "PbM2", "S1", "Se1", "Cl1", "S2", "Cl2", "S3", "Se3", "Cl3", "S4", "Se4", "Cl4"]

atoms_aniso_label:
["PbM3", "BiM1", "BiM2", "PbM2", "S1", "Se1", "Cl1", "S2", "Cl2", "S3", "Se3", "Cl3", "S4", "Se4", "Cl4"]

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formula: Pb.575 Bi.91 S1.792 Se.131 Cl.1
compound: Vulcano, Aeolian Islands, Italy
formula_title: <missing>
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b: 14.667
c: 4.085
alpha: 90
beta: 90
gamma: 90
cell_volume: 709.749
crystal_density: 7.124
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pub_title:
 Rare sulfosalts from Vulcano, Aeolian Islands, Italy. VII. Cl-bearing galenobismutite
 Sample: FF-1991b

atoms_sites:
["PbM3", "BiM1", "BiM2", "PbM2", "S1", "Se1", "Cl1", "S2", "Se2", "Cl2", "S3", "Se3", "Cl3", "S4", "Se4", "Cl4"]

atoms_aniso_label:
["PbM3", "BiM1", "BiM2", "PbM2", "S1", "Se1", "Cl1", "S2", "Se2", "Cl2", "S3", "Se3", "Cl3", "S4", "Se4", "Cl4"]

qdat:
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formula: Cu3 Ag2 Pb3 Bi7 S16
compound: Grube Clara, Black Forest, Germany
pub_title: The crystal structure of berryite, Cu3Ag2Pb3Bi7S16 Note: y-coordinates corrected by author
formula_title: <missing>
a: 12.703
b: 4.0305
c: 28.925
alpha: 90
beta: 102.484
gamma: 90
cell_volume: 1445.929
crystal_density: 6.899
atoms_occupancy: 0
atoms_sites:
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formula: Cu7.09 Ag.2 Pb1.37 Bi11.34 S22
compound: Bihor, Romania
formula_title: <missing>
a: 17.585
b: 3.9386
c: 28.453
alpha: 90
beta: 105.41
gamma: 90
cell_volume: 1899.815
crystal_density: 6.697
atoms_aniso_label: "<missing>"
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pub_title:
 The crystal structure of paderaite, Cu7(X0.33Pb1.33Bi11.33)Sum13S22,
 with X = Cu or Ag: New data and interpretation

atoms_sites:
["Cu1", "Cu2", "Cu3", "Cu4", "Cu5", "Cu6", "Cu7", "Cu3b", "Ag3b", "Pb", "Bi1", "Bi2", "Pb2", "Bi3b", "Bi4", "Bi5", "Bi6", "Bi7", "Pb7", "Bi8", "Bi9", "Bi10", "Bi11", "Bi12", "S1", "S2", "S3", "S4", "S5", "S6", "S7", "S8", "S9", "S10", "S11", "S12", "S13", "S14", "S15", "S16", "S17", "S18", "S19", "S20", "S21", "S22"]

atoms_x:

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formula: Cu7.32 Pb1.34 Bi11.34 S22
compound: Swartberg, South Africa
formula_title: <missing>
a: 17.573
b: 3.9426
c: 28.423
alpha: 90
beta: 105.525
gamma: 90
cell_volume: 1897.389
crystal_density: 6.683
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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pub_title:
 The crystal structure of paderaite, Cu7(X0.33Pb1.33Bi11.33)Sum13S22,
 with X = Cu or Ag: New data and interpretation

atoms_sites:
["Cu1", "Cu2", "Cu3", "Cu4", "Cu5", "Cu6", "Cu7", "Pb", "Bi1", "Bi2", "Pb2", "Bi3b", "Cu8b", "Bi4", "Bi5", "Bi6", "Bi7", "Pb7", "Bi8", "Bi9", "Bi10", "Bi11", "Bi12", "S1", "S2", "S3", "S4", "S5", "S6", "S7", "S8", "S9", "S10", "S11", "S12", "S13", "S14", "S15", "S16", "S17", "S18", "S19", "S20", "S21", "S22"]

atoms_x:

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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>
a: 5.672
b: 9.909
c: 6.264
alpha: 90
beta: 115.40
gamma: 90
cell_volume: 318.029
crystal_density: 8.006
atoms_sites: ["Cu", "Ag", "Pd1", "Pd2", "Se1", "Se2"]
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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>
a: 5.676
b: 10.342
c: 6.341
alpha: 90
beta: 114.996
gamma: 90
cell_volume: 337.361
crystal_density: 8.193
atoms_sites: ["Ag", "Cu", "Pd1", "Pd2", "Se1", "Se2"]
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qdat:
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formula: Cu6 Pb Se2 O8 Cl5
compound: fumaroles of the Great Tolbachik fissure eruption, Kamchatka Peninsula, Russia
formula_title: <missing>
a: 18.468
b: 6.1475
c: 15.314
alpha: 90
beta: 119.284
gamma: 90
cell_volume: 1516.443
crystal_density: 4.606
atoms_occupancy: 0
pub_title:
 The crystal structure of allochalcoselite, Cu+Cu2+5PbO2(SeO3)2Cl5,
 a mineral with well-defined Cu+ and Cu2+ positions

atoms_sites:
["Cu1", "Cu2", "Cu3", "Cu4", "Cu5", "Cu6", "Pb", "Se1", "Se2", "O1", "O2", "O3", "O4", "O5", "O6", "Cl1", "Cl2", "Cl3", "Cl4", "Cl5"]

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atoms_y:
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atoms_z:
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formula: Pb8 O7 Cl4 H2
compound: Synthetic
pub_title: The crystal structure of Pb8O5(OH)2Cl4, a synthetic analogue of blixite?
formula_title: <missing>
a: 26.069
b: 5.8354
c: 22.736
alpha: 90
beta: 102.612
gamma: 90
cell_volume: 3375.216
crystal_density: 7.531
atoms_occupancy: 0
atoms_aniso_label: ["Pb1", "Pb2", "Pb3", "Pb4", "Pb5", "Pb6", "Pb7", "Pb8", "Cl1", "Cl2", "Cl3", "Cl4", "Cl5"]
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pub_title: The crystal structure of stronalsite and a redetermination of the structure of banalsite
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formula: Ba Na2 Al4 Si4 O16
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pub_title: The crystal structure of stronalsite and a redetermination of the structure of banalsite
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formula_title: <missing>
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pub_title:
 Oftedalite, (Sc,Ca,Mn2+)2 K (Be,Al)3 Si12 O30, a new member of the milarite
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 structure

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pub_title:
 The symmetry and crystal structure of gorceixite, BaAl3[PO3(O,OH)]2(OH)6, a
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alpha: 90
beta: 90
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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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 Sample: XMg = 0.4

qdat:
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formula: (Mn.5 Mg.5) Ti O3
compound: Synthetic
formula_title: <missing>
a: 5.1007
b: 5.1007
c: 14.0910
alpha: 90
beta: 90
gamma: 120
cell_volume: 317.491
crystal_density: 4.252
atoms_sites: ["Mn", "Mg", "Ti", "O1"]
atoms_x: AAAAAAAAAAAAAAAAaGsTAA==
atoms_y: AAAAAAAAAAAAAAAAqL8BAA==
atoms_z: +OcVAPjnFQCI9ggASO8OAA==
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atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 The pyrophanite-geikielite solid-solution series: crystal structures of the
 Mn1-xMgxTiO3 series (0 < x < 0.7)
 Sample: XMg = 0.5

qdat:
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formula: (Mn.4 Mg.6) Ti O3
compound: Synthetic
formula_title: <missing>
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b: 5.0921
c: 14.0532
alpha: 90
beta: 90
gamma: 120
cell_volume: 315.573
crystal_density: 4.181
atoms_sites: ["Mn", "Mg", "Ti", "O1"]
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atoms_aniso_u23: 0
pub_title:
 The pyrophanite-geikielite solid-solution series: crystal structures of the
 Mn1-xMgxTiO3 series (0 < x < 0.7)
 Sample: XMg = 0.6

qdat:
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formula: Mg Ti O3
compound: Synthetic
formula_title: <missing>
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b: 5.0567
c: 13.9034
alpha: 90
beta: 90
gamma: 120
cell_volume: 307.883
crystal_density: 3.889
atoms_sites: ["Mg", "Ti", "O1"]
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pub_title:
 The pyrophanite-geikielite solid-solution series: crystal structures of the
 Mn1-xMgxTiO3 series (0 < x < 0.7)
 Sample: XMg = 1.0
 Note: No bond lengths could be reproduced with the reported dataset

qdat:
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formula: Ce Ba C2 O6 F
compound: Qaqarssuk, Greenland
pub_title: Qaqarssukite-(Ce), a new barium-cerium fluorcarbonate mineral species from Qaqarssuk, Greenland
formula_title: <missing>
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b: 7.242
c: 18.192
alpha: 90
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cell_volume: 826.282
crystal_density: 5.022
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qdat:
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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
formula_title: <missing>
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b: 8.502
c: 4.5480
alpha: 90
beta: 90
gamma: 90
cell_volume: 385.975
crystal_density: 4.333
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qdat:
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formula: Ca2 Fe.958 Mg.059 Al1.984 B Si4 O16 H
compound: Malesov, Czech Republic
formula_title: <missing>
a: 7.152
b: 9.206
c: 8.962
alpha: 91.84
beta: 98.17
gamma: 77.33
cell_volume: 569.858
crystal_density: 3.315
pub_title:
 The crystal structure of near-end-member ferroaxinite from an iron-contaminated
 pegmatite at Malesov, Czech Republic

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formula: Na1.18 Mg4.7 Fe.25 Mn.02 Al.03 Ca1.63 Si8 O23.42 F.58 H3.42
compound: Bear Lake diggings, Bancroft area of Ontario, Canada
pub_title: Short-range order in amphiboles from the Bear Lake diggings, Ontario Sample: 757
formula_title: <missing>
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b: 18.033
c: 5.273
alpha: 90
beta: 104.66
gamma: 90
cell_volume: 907.781
crystal_density: 3.060
atoms_sites:
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formula: Na1.28 K.3 Mg3.43 Fe1.4 Mn.05 Ti.06 Al.66 Li.02 Ca1.23 Si7.38 O22.79 (F1.21 H.79)
compound: Bear Lake diggings, Bancroft area of Ontario, Canada
pub_title: Short-range order in amphiboles from the Bear Lake diggings, Ontario Sample: 721
formula_title: <missing>
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b: 18.022
c: 5.290
alpha: 90
beta: 104.72
gamma: 90
cell_volume: 911.746
crystal_density: 3.174
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formula: Na.86 K.18 Mg4.71 Fe.27 Mn.01 Al.11 Ca1.46 Si7.9 O23.29 F.71 H3.29
compound: Bear Lake diggings, Bancroft area of Ontario, Canada
pub_title: Short-range order in amphiboles from the Bear Lake diggings, Ontario Sample: 761
formula_title: <missing>
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b: 18.019
c: 5.274
alpha: 90
beta: 104.58
gamma: 90
cell_volume: 907.395
crystal_density: 3.037
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formula: Na1.33 K.32 Mg3.28 Fe1.5 Mn.05 Ti.08 Al.702 Li.02 Ca1.18 Si7.368 O22.64 (F1.36 H.64)
compound: Bear Lake diggings, Bancroft area of Ontario, Canada
pub_title: Short-range order in amphiboles from the Bear Lake diggings, Ontario Sample: 762
formula_title: <missing>
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formula: (Ca1.9 Pb.1) Mn.88 Mg.1 Fe.01 As2 O10 H4
compound: Harstig mine, Harstigen, Sweden
pub_title: The topology of hydrogen bonding in brandtite, collinsite and fairfieldite
formula_title: <missing>
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b: 12.957
c: 5.675
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gamma: 90
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formula: Ca2 Mg.92 Mn.01 Fe.06 P2 O10 H4
compound: Rapid Creek, Yukon Territory, Canada
pub_title: The topology of hydrogen bonding in brandtite, collinsite and fairfieldite
formula_title: <missing>
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b: 6.778
c: 5.444
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gamma: 107.25
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formula: Ca2 Mn.73 Mg.01 Fe.23 P2 O10 H4
compound: Foote mine, North Carolina, USA
pub_title: The topology of hydrogen bonding in brandtite, collinsite and fairfieldite
formula_title: <missing>
a: 5.795
b: 6.576
c: 5.496
alpha: 102.39
beta: 108.63
gamma: 90.29
cell_volume: 193.230
crystal_density: 3.088
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formula: Ba U6 O30 H6
compound: Shaba, Democratic Republic of Congo
pub_title: Refinement of the crystal structure of billietite, Ba [(UO2)6 O4 (OH)6] (H2O)8
formula_title: <missing>
a: 12.0941
b: 30.211
c: 7.1563
alpha: 90
beta: 90
gamma: 90
cell_volume: 2614.732
crystal_density: 5.211
atoms_occupancy: 0
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formula: Fe4.633 S6 O46 D42
compound: Synthetic
formula_title: <missing>
a: 7.3926
b: 18.3806
c: 7.3361
alpha: 93.933
beta: 102.212
gamma: 98.900
cell_volume: 957.232
crystal_density: 2.206
atoms_aniso_label: "<missing>"
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pub_title:
 An X-ray and neutron-diffraction study of synthetic ferricopiapite,
 Fe14/3(SO4)6(OD,OH)2(D2O,H2O)20, and ab-initio calculations on the structure of
 magnesiocopiapite MgFe4(SO4)6(OH)2(H2O)20

atoms_sites:
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atoms_x:

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formula: Mg Fe4 S6 O46 H42
compound: <missing>
formula_title: <missing>
a: 7.5515
b: 18.601
c: 7.4460
alpha: 95.49
beta: 102.71
gamma: 98.71
cell_volume: 999.446
crystal_density: 2.024
atoms_occupancy: 0
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pub_title:
 An X-ray and neutron-diffraction study of synthetic ferricopiapite,
 Fe14/3(SO4)6(OD,OH)2(D2O,H2O)20, and ab-initio calculations on the structure of
 magnesiocopiapite MgFe4(SO4)6(OH)2(H2O)20
 Note: hypothetical structure from ab-initio calculations

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formula: Hg3 S2 Cl1.376 Br.624
compound: <missing>
formula_title: Hg3S2Cl1.5Br.5
a: 16.841
b: 9.128
c: 9.435
alpha: 90
beta: 90.08
gamma: 90
cell_volume: 1450.391
crystal_density: 7.003
atoms_sites: ["Hg1", "Hg2", "Hg3", "Hg4", "Hg5", "S1", "S2", "Cl1", "Cl2", "Br1", "Cl3", "Br2", "Cl4"]
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pub_title:
 Crystal chemistry of mercury sulfohalides of composition Hg3S2Hal2
 (Hal: Cl,Br). I. Crystal structures of two polymorphic modifications of
 Hg3S2Cl2-xBrx (x ~ 0.5)
 Sample: compound I

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formula: Hg48 S32 Cl24.73 Br7.27
compound: <missing>
formula_title: Hg3S2Cl1.54Br.46
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b: 18.0409
c: 18.0409
alpha: 90
beta: 90
gamma: 90
cell_volume: 5871.845
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pub_title:
 Crystal chemistry of mercury sulfohalides of composition Hg3S2Hal2
 (Hal: Cl,Br). I. Crystal structures of two polymorphic modifications of
 Hg3S2Cl2-xBrx (x ~ 0.5)
 Sample: compound II

atoms_sites:
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formula: Hg6 S4 Cl Br3
compound: <missing>
formula_title: Hg3S2Br1.5Cl.5
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b: 9.238
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alpha: 90
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crystal_density: 7.005
atoms_sites: ["Hg1", "Hg2", "Hg3", "Hg4", "S1", "S2", "Cl1", "Br1", "Br2", "Br3", "Br4"]
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pub_title:
 Crystal chemistry of mercury sulfohalides of composition Hg3S2Hal2
 (Hal: Cl,Br). II. Crystal structures of two polymorphic modifications of
 Hg3S2Cl2-xBrx (x~0.5)
 Sample: compound I

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formula_title: Hg3S2Br1.5Cl.5
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pub_title:
 Crystal chemistry of mercury sulfohalides of composition Hg3S2Hal2
 (Hal: Cl,Br). II. Crystal structures of two polymorphic modifications of
 Hg3S2Cl2-xBrx (x~0.5)
 Sample: compound II

atoms_sites:
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formula: Cs.9 K1.08 Na Ca1.62 Mn.3 Fe.06 Ti.93 Nb.04 Si7 O20 H
compound: Dara-i-Pioz moraine, Alai ridge, Tien-Shan Mountains, Tajikistan
formula_title: <missing>
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b: 12.2408
c: 7.0569
alpha: 90.857
beta: 99.193
gamma: 91.895
cell_volume: 887.791
crystal_density: 3.125
pub_title:
 The crystal chemistry of senkevichite, CsKNaCa2TiO[Si7O18(OH)], from the
 Dara-I-Pioz alkaline massif, northern Tajikistan

atoms_sites:
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formula: Na2 Zr Si4 O11
compound: Kipawa alkaline complex, Quebec, Canada
formula_title: <missing>
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b: 10.0980
c: 8.5677
alpha: 90
beta: 100.313
gamma: 90
cell_volume: 939.628
crystal_density: 3.008
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pub_title:
 Vlasovite, Na2Zr(Si4O11), from the Kipawa alkaline complex, Quebec, Canada:
 Crystal-structure refinement and infrared spectroscopy

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formula: Ca U3 C.7 O13.66 H3.92
compound: Shinkolobwe mine, Shaba, Democratic Republic of Congo
pub_title: The crystal structure of dehydrated wyartite, Ca(CO3)[U5+(U6+O2)2O4(OH)] (H2O)3
formula_title: <missing>
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formula: Sn6 Si O8
compound: <missing>
formula_title: Sn6SiO8
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b: 7.3742
c: 11.9598
alpha: 90
beta: 90
gamma: 120
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atoms_sites: ["Sn1", "Sn2", "Si", "O1", "O2", "O3", "O4"]
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pub_title:
 The structures of two novel Sn2+ oxysalts found with romarchite and
 hydroromarchite as corrosion products of pewter artifacts

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formula: Sn6.54 S O10 H2
compound: <missing>
formula_title: Sn6SiO8(OH2)
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c: 14.5030
alpha: 90
beta: 90
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pub_title:
 The structures of two novel Sn2+ oxysalts found with romarchite and
 hydroromarchite as corrosion products of pewter artifacts

atoms_sites:
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formula: Cu6 Ge W S8
compound: Capillitas, Catamarca, Argentina
formula_title: <missing>
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b: 7.5238
c: 12.390
alpha: 90
beta: 90
gamma: 120
cell_volume: 607.402
crystal_density: 4.890
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pub_title:
 Catamarcaite, Cu6GeWS8, a new germanium sulfide mineral species from
 Capillitas, Catamarca, Argentina: Description, paragenesis and crystal structure

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formula: Pb21.994 Sb26.006 Cl S60
compound: Low Tatra Mountains, Slovakia
pub_title: The crystal structure of dadsonite Sample: 8-angstrom structure
formula_title: <missing>
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beta: 77.882
gamma: 89.215
cell_volume: 2727.275
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atoms_sites:
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formula: Pb10.57 Sb13.43 Cl.5 S30
compound: Low Tatra Mountains, Slovakia
pub_title: The crystal structure of dadsonite Sample: 4-angstrom structure
formula_title: <missing>
a: 4.1382
b: 17.394
c: 19.071
alpha: 96.442
beta: 90.113
gamma: 90.775
cell_volume: 1363.927
crystal_density: 5.850
atoms_sites:
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atoms_aniso_label:
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formula: Ca19 Al8.318 Mg4.154 Fe.422 Mn.106 B.484 Si16.232 O77.82 Cl.18 H12.672
compound: Wiluy River, Sakha-Yakutia, Russia
formula_title: <missing>
a: 15.678
b: 15.678
c: 11.828
alpha: 90
beta: 90
gamma: 90
cell_volume: 2907.319
crystal_density: 3.246
pub_title:
 The crystal structure of Si-deficient, OH-substituted, boron-bearing
 vesuvianite from the Wiluy River, Sakha-Yakutia, Russia

atoms_sites:
["CaX1", "CaX2", "CaX3", "CaX*4", "AlY*1", "MgY*1", "FeY*1", "MnY*1", "AlY2", "MgY2", "AlY3", "MgY3", "BT1", "BT2", "SiZ1", "SiZ2", "SiZ3", "O1", "O-H1", "O2", "O-H2", "O3", "O-H3", "O4", "O-H4", "O5", "O6", "O7", "O-H7", "O8", "O9", "O10", "Cl10", "O11", "H"]

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atoms_y:
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atoms_aniso_label:
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formula: K.157 Na.802 Ca1.506 Al.64 Ti.062 Mg4.255 Fe.497 Mn.062 Si7.464 O22 F1.97 Cl.02
compound: Biancavilla, Mt. Etna, Sicily, Italy
formula_title: <missing>
a: 9.8125
b: 18.0188
c: 5.2781
alpha: 90
beta: 104.620
gamma: 90
cell_volume: 903.002
crystal_density: 3.088
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Structural and chemical contrasts between prismatic and fibrous fluoro-edenite
 from Biancavilla, Sicily, Italy

atoms_sites:
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formula: Na.463 Ca2 Fe3.314 Mg2.686 P6 O26 H4
compound: Larsemann Hills, Prydz Bay, East Antarctica
formula_title: <missing>
a: 12.4595
b: 11.5955
c: 12.7504
alpha: 90
beta: 90
gamma: 90
cell_volume: 1842.103
crystal_density: 3.415
pub_title:
 Tassieite, (Na,_)Ca2(Mg,Fe2+,Fe3+)2(Fe3+,Mg)2(Fe2+,Mg)2(PO4)6*2H2O, a new
 hydrothermal wicksite-group mineral in fluorapatite nodules from granulite-
 facies paragneiss in the Larsemann Hills, Prydz Bay, East Antarctica
 Sample: 2

atoms_sites:
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formula: Na.478 Ca2 Fe3.254 Mg2.746 P6 O26 H4
compound: Larsemann Hills, Prydz Bay, East Antarctica
formula_title: <missing>
a: 12.4595
b: 11.5955
c: 12.7504
alpha: 90
beta: 90
gamma: 90
cell_volume: 1842.103
crystal_density: 3.409
pub_title:
 Tassieite, (Na,_)Ca2(Mg,Fe2+,Fe3+)2(Fe3+,Mg)2(Fe2+,Mg)2(PO4)6*2H2O, a new
 hydrothermal wicksite-group mineral in fluorapatite nodules from granulite-
 facies paragneiss in the Larsemann Hills, Prydz Bay, East Antarctica
 Sample: 1

atoms_sites:
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atoms_aniso_label:
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formula: Cu3.081 Ni.903 Co.012 Fe.004 Cl2 O6 H6
compound: 132N deposit, Widgiemooltha, Australia
formula_title: <missing>
a: 6.8364
b: 6.8364
c: 13.8459
alpha: 90
beta: 90
gamma: 120
cell_volume: 560.411
crystal_density: 3.757
atoms_sites: ["Cu2", "Ni1", "Cu1", "Co1", "Fe1", "Cl", "O", "H"]
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pub_title:
 The structure of gillardite, the Ni-analogue of herbertsmithite, from
 Widgiemooltha, Western Australia

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formula: Ag12.96 Cu3.04 (Sb1.846 As.154) S11
compound: Eagle mine, Colorado, USA
formula_title: <missing>
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b: 7.4805
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alpha: 90
beta: 90
gamma: 120
cell_volume: 575.891
crystal_density: 6.286
atoms_sites: ["Ag1", "Cu1", "Ag2", "Ag3", "Cu2", "Sb", "As", "S1", "S2", "S3", "S4"]
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pub_title:
 Complex twinning, polytypism and disorder phenomena in the crystal structures
 of antimonpearceite and arsenpolybasite
 Sample: T = 330 K
 Note: mineral name has been changed from antimonpearceite
 Note: this is type pearceite-Tac

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formula: Ag29.046 Cu2.954 As4 S22
compound: St. Joachimsthal, Bohemia, Czech Republic
formula_title: <missing>
a: 14.9746
b: 14.9746
c: 11.9982
alpha: 90
beta: 90
gamma: 120
cell_volume: 2330.007
crystal_density: 6.166
pub_title:
 Complex twinning, polytypism and disorder phenomena in the crystal structures
 of antimonpearceite and arsenpolybasite
 Sample: 221
 Note: mineral name has been changed from arsenpolybasite
 Note: this is type pearceite-T2ac

atoms_sites:
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formula: Ag29.786 Cu2.214 As3.762 Sb.238 S22
compound: Freiberg, Germany
formula_title: <missing>
a: 26.036
b: 15.0319
c: 24.042
alpha: 90
beta: 90.000
gamma: 90
cell_volume: 9409.330
crystal_density: 6.170
pub_title:
 Complex twinning, polytypism and disorder phenomena in the crystal structures
 of antimonpearceite and arsenpolybasite
 Sample: 222
 Note: mineral name has been changed from arsenpolybasite
 Note: This is type pearceite-M2a2b2c

atoms_sites:
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formula: Cd Pb3.06 Bi4.173 In.771 (S7.6 Se.4)
compound: <missing>
pub_title: The crystal structure of kudriavite, (Cd,Pb)Bi2S4
formula_title: <missing>
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b: 4.0032
c: 14.711
alpha: 90
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gamma: 90
cell_volume: 695.532
crystal_density: 9.465
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formula: Pb Cu3 V2 O8 Cl2
compound: Great fissure Tolbachik eruption, Kamchatka Peninsula, Russia
formula_title: <missing>
a: 9.005
b: 11.046
c: 9.349
alpha: 90
beta: 90
gamma: 90
cell_volume: 929.938
crystal_density: 4.990
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atoms_aniso_label: ["Pb", "Cu1", "Cu2", "V", "O1", "O2", "Cl"]
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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: Fe S O11 (D13.16 H.84)
compound: Synthetic
pub_title: The atomic structure and hydrogen bonding of deuterated melanterite, FeSO4*7D2O
formula_title: <missing>
a: 14.0774
b: 6.5039
c: 11.0506
alpha: 90
beta: 105.604
gamma: 90
cell_volume: 974.481
crystal_density: 1.985
atoms_aniso_label: "<missing>"
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atoms_sites:
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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
atoms_sites: ["Rb", "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: 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
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crystal_density: 3.264
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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>
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pub_title:
 Pauflerite, B-VO(SO4), a new mineral species from the Tolbachik volcano,
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pub_title: The crystal structure of parageorgbokiite, B-Cu5O2(SeO3)2Cl2
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formula: Ba3 (Si2.7 Al1.3) C2 O14 Cl1.24
compound: Esquire
pub_title: The crystal structure of kampfite
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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"]
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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>
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b: 3.9090
c: 15.6820
alpha: 90
beta: 90
gamma: 120
cell_volume: 207.522
crystal_density: 7.911
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pub_title:
 Vavrinite, Ni2SbTe2, a new mineral species from the Kunratice Cu-Ni sulfide
 deposit, Czech Republic

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formula: Pb Bi17 Cu14.77 Fe.23 S35
compound: Piz Grisch Mountain, Val Ferrera, Graubunden, Switzerland
formula_title: <missing>
a: 35.095
b: 3.9067
c: 43.222
alpha: 90
beta: 96.71
gamma: 90
cell_volume: 5885.388
crystal_density: 6.584
pub_title:
 Pizgrischite, (Cu,Fe)Cu14PbBi17S35, a new sulfosalt from the Swiss Alps:
 Description, crystal structure and occurrence

atoms_sites:
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formula: Ba3.84 K.52 Na2.66 Mn.04 Fe.34 Ti5.4 Nb.26 Al.1 Si8 O38.04 F1.32 H10.38
compound: Mt. Yuksporr, Khibina alkaline massif, Kola Peninsula, Russia
formula_title: <missing>
a: 10.6968
b: 13.7535
c: 21.5758
alpha: 90
beta: 93.975
gamma: 90
cell_volume: 3166.562
crystal_density: 3.743
pub_title:
 From structure topology to chemical composition. II. Titanium silicates:
 revision of the crystal structure and chemical formula of delindeite

atoms_sites:
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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>
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b: 5.6461
c: 9.2322
alpha: 90
beta: 90
gamma: 120
cell_volume: 254.878
crystal_density: 2.870
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formula: Na9.34 Ca4.58 Si13.16 B2.84 F2 O44 H10
compound: Poudrette quarry, Mont Saint-Hilaire, Rouville County, Quebec, Canada
formula_title: <missing>
a: 9.5437
b: 9.5349
c: 14.0268
alpha: 108.943
beta: 74.154
gamma: 119.780
cell_volume: 1038.084
crystal_density: 2.480
pub_title:
 Martinite, a new hydrated sodium calcium fluorborosilicate species from Mont
 Saint-Hilaire, Quebec: description, structure determination and genetic implications
 Note: changed F(y) to match reported bond distances

atoms_sites:
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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>
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b: 4.3852
c: 15.6373
alpha: 90
beta: 91.845
gamma: 90
cell_volume: 791.782
crystal_density: 7.505
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formula: Na.86 K.17 Ca1.95 Mg3.35 Fe.22 Al3.7 Ti.16 Cr.07 Si5.5 O23.58 (F.42 H1.58)
compound: Dattaw mine, Mogok Stone Tract, Mandalay Division, Myanmar
pub_title: The crystal chemistry of Al-rich amphiboles: sadanagaite and potassic-ferrisadanagaite
formula_title: <missing>
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b: 17.899
c: 5.318
alpha: 90
beta: 105.36
gamma: 90
cell_volume: 904.743
crystal_density: 3.123
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formula: K.62 Na.6 Ca1.72 Mg.68 Fe3.11 Mn.26 Al3.62 Ti.21 Zn.02 Si5.1 O23.7 F.3 H1.7
compound: Ilmen alkaline massif, South Urals, Russia
pub_title: The crystal chemistry of Al-rich amphiboles: sadanagaite and potassic-ferrisadanagaite
formula_title: <missing>
a: 9.9257
b: 18.0917
c: 5.3709
alpha: 90
beta: 105.19
gamma: 90
cell_volume: 930.771
crystal_density: 3.391
atoms_sites:
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formula: Li6 (K1.93 Ba.04 Rb.03) Na2.39 Ca6.16 Sr.17 Ti4 Si24 O66.37 F1.63
compound: Dara-i-Poiz glacier, Alai mountain ridge, Tien-Shan Mountains, Tajikistan
formula_title: <missing>
a: 9.8156
b: 9.8249
c: 17.3087
alpha: 99.209
beta: 94.670
gamma: 119.839
cell_volume: 1403.743
crystal_density: 2.839
pub_title:
 The crystal chemistry of faizievite, K2Li6Na(Ca6Na)Ti4[Si6O18]2[Si12O30]F2,
 a novel structure based on intercalated blocks of the baratovite and
 berezanskite structures

atoms_sites:
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formula: K.77 Co1.206 U4 S2 O26.07 H12.14
compound: <missing>
formula_title: Co0.75K0.5SU2O13H6
a: 8.651
b: 14.188
c: 17.713
alpha: 90
beta: 104.14
gamma: 90
cell_volume: 2108.229
crystal_density: 4.873
atoms_aniso_label: "<missing>"
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pub_title:
 The crystal structures of synthetic potassium - transition-metal zippeite-group phases
 Sample: K-Co

atoms_sites:
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compound: <missing>
formula_title: Mn0.75K0.5SU2O13H6
a: 8.661
b: 14.375
c: 17.705
alpha: 90
beta: 104.12
gamma: 90
cell_volume: 2137.707
crystal_density: 4.786
atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 The crystal structures of synthetic potassium - transition-metal zippeite-group phases
 Sample: K-Mn

atoms_sites:
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compound: <missing>
formula_title: Ni0.75K0.5SU2O13H6
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b: 14.095
c: 17.770
alpha: 90
beta: 104.18
gamma: 90
cell_volume: 2103.451
crystal_density: 4.840
atoms_aniso_label: "<missing>"
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atoms_aniso_u23: 0
pub_title:
 The crystal structures of synthetic potassium - transition-metal zippeite-group phases
 Sample: K-Ni

atoms_sites:
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formula: K.74 Zn1.148 U4 S2 O25.95 H11.9
compound: <missing>
formula_title: Zn0.75K0.5SU2O13H6
a: 8.650
b: 14.180
c: 17.709
alpha: 90
beta: 104.14
gamma: 90
cell_volume: 2106.321
crystal_density: 4.880
atoms_aniso_label: "<missing>"
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atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 The crystal structures of synthetic potassium - transition-metal zippeite-group phases
 Sample: K-Zn

atoms_sites:
["K", "Zn1", "Zn2", "U1", "U2", "S", "O1", "O1*", "O2", "O2*", "O3", "O4", "O5", "O6", "O7", "O8", "Wat9", "Wat10", "Wat11", "Wat12"]

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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_y: q7AoALDMMgBQkC4AgIQeAAAAAABw5hwA8Bg4AAC2HABAMzcA
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formula: As2.08 Se2.28 S.64
compound: Western Middle Anthracite field, Northumberland County, Pennsylvania
formula_title: <missing>
a: 11.891
b: 9.742
c: 4.274
alpha: 90
beta: 90.03
gamma: 90
cell_volume: 495.109
crystal_density: 4.781
atoms_sites: ["As1", "As2", "SeX1", "SX1", "AsX1", "SeX2", "SX2", "AsX2", "SeX3", "SX3", "AsX3"]
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atoms_aniso_label: ["As1", "As2", "SeX1", "SX1", "AsX1", "SeX2", "SX2", "AsX2", "SeX3", "SX3", "AsX3"]
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atoms_aniso_u23: sDYAAPDx//+QAQAAkAEAAJABAABQFAAAUBQAAFAUAADwCgAA8AoAAPAKAAA=
pub_title:
 Effects of sulfur-for-selenium substitution on the structure of laphamite, As2(Se,S)3
 Sample: LAP1

qdat:
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formula: As2.04 Se2.25 S.71
compound: Western Middle Anthracite field, Northumberland County, Pennsylvania
formula_title: <missing>
a: 11.934
b: 9.804
c: 4.268
alpha: 90
beta: 90.32
gamma: 90
cell_volume: 499.352
crystal_density: 4.699
atoms_sites: ["As1", "As2", "SeX1", "SX1", "AsX1", "SeX2", "SX2", "AsX2", "SeX3", "SX3", "AsX3"]
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atoms_aniso_label: ["As1", "As2", "SeX1", "SX1", "AsX1", "SeX2", "SX2", "AsX2", "SeX3", "SX3", "AsX3"]
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pub_title:
 Effects of sulfur-for-selenium substitution on the structure of laphamite, As2(Se,S)3
 Sample: LAP2

qdat:
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formula: Ba.88 K.61 Sr.33 Ca.13 Ti2.91 Al.03 Fe.35 Nb.01 Na2.09 Mn.28 Mg.05 Si4 O18
compound: Mt. Yuksporr, Khibina alkaline massif, Kola Peninsula, Russia
formula_title: <missing>
a: 19.8971
b: 7.1165
c: 5.4108
alpha: 90
beta: 96.676
gamma: 90
cell_volume: 760.962
crystal_density: 3.511
pub_title:
 From structure topology to chemical composition. III. Titanium
 silicates: The crystal chemistry of barytolamprophyllite

atoms_sites:
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atoms_aniso_label:
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atoms_aniso_u23:
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qdat:
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formula: Ce1.03 La.621 Nd.229 Pr.081 Sm.014 Na1.906 Ca.039 Ti.875 Nb.109 Si C2 O12.11 H.25
compound: Mount Saint-Hilaire, Quebec, Canada
formula_title: <missing>
a: 7.5760
b: 13.9252
c: 5.0290
alpha: 99.981
beta: 70.791
gamma: 100.947
cell_volume: 488.363
crystal_density: 4.221
pub_title:
 Tundrite-(Ce) from Mount Saint-Hilaire, Quebec: Crystal-structure
 analysis and species characterization

atoms_sites:
["Ce1", "Ce2", "La2", "Nd2", "Pr2", "Sm2", "Na1", "Na2", "Ca2", "Na3", "Ti", "Nb", "Si", "C1", "C2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O-H13", "H5", "H6"]

atoms_x:
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atoms_y:
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atoms_z:
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atoms_occupancy:
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atoms_u_iso:
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atoms_aniso_label:
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qdat:
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formula: (Ce.44 Nd.22 La.21 Th.06 Y.03 U.02 Ca.02) Fe1.671 Ti.939 Al.381 Sn.009 As1.16 Si1.68 O13
compound: Alpine fissures at Pizzo Cervandone, Scherbadung, Central Alps
formula_title: <missing>
a: 6.508
b: 6.508
c: 18.520
alpha: 90
beta: 90
gamma: 120
cell_volume: 679.308
crystal_density: 4.667
atoms_aniso_label: ["Ce", "Nd", "La", "Th", "Y", "U", "Ca", "Fe3+", "Fe2+", "Ti", "Al", "Sn", "As1", "As2"]
atoms_aniso_u11: kF8BAJBfAQCQXwEAkF8BAJBfAQCQXwEAkF8BAOC+AQDgvgEA4L4BAOC+AQDgvgEAgGoBAABxAgA=
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atoms_aniso_u33: cPgAAHD4AABw+AAAcPgAAHD4AABw+AAAcPgAAFD1AABQ9QAAUPUAAFD1AABQ9QAAQIMAANDPAAA=
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atoms_aniso_u23: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIA+AACAPgAAgD4AAIA+AACAPgAAAAAAAAAAAAA=
pub_title:
 The crystal structure of cervandonite-(Ce), an interesting example of
 As3+ - Si diadochy
 Note: Chemistry from original description of the mineral.

atoms_sites:
["Ce", "Nd", "La", "Th", "Y", "U", "Ca", "Fe3+", "Fe2+", "Ti", "Al", "Sn", "As1", "As2", "Si1", "Si2", "Si3", "Si4", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]

atoms_x:
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atoms_y:
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atoms_z:
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atoms_occupancy:
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atoms_u_iso:
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qdat:
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formula: K3 Na4 Si3 F22 B
compound: La Fossa Crater, Vulcano, Aeolian Islands, Italy
formula_title: <missing>
a: 5.522
b: 17.106
c: 9.175
alpha: 90
beta: 90
gamma: 90
cell_volume: 866.664
crystal_density: 2.768
atoms_sites: ["K1", "K2", "Na1", "Na2", "Si1", "Si2", "F1", "F2", "F3", "F4", "F5", "F6", "F7", "F8", "F9", "B"]
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atoms_y: uNEWAAAAAAAgdgoAcN4VAAAAAADgEg0AAAAAAAAAAAAQQQQA4MENAGBwDAAY5AgAkDsRAICEHgDAcBoAgIQeAA==
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atoms_occupancy: 0
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atoms_aniso_label: ["K1", "K2", "Na1", "Na2", "Si1", "Si2", "F1", "F2", "F3", "F4", "F5", "F6", "F7", "F8", "F9", "B"]
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atoms_aniso_u13: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAg6v//AAAAAAAAAAAwQwAAcK0AAKBBAAAAAAAAAAAAAA==
atoms_aniso_u23: gIkAAAAAAAAwEQAAwMf//wAAAACQ6P//AAAAAAAAAACwNgAAYHP//+Cx//9wYgAAAGQAAAAAAAAA+gAAAAAAAA==
pub_title:
 Knasibfite, K3Na4[SiF6]3[BF4], a new hexafluorosilicate-tetrafluoroborate
 from La Fossa Crater, Vulcano, Aeolian Islands, Italy

qdat:
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formula: Bi4.48 Ag.52 Pb Cu2 S9
compound: Baita Bihor, Romania
formula_title: <missing>
a: 13.405
b: 4.016
c: 29.949
alpha: 90
beta: 99.989
gamma: 90
cell_volume: 1587.848
crystal_density: 6.757
pub_title:
 What is the reason for the doubled unit-cell volumes of
 copper-lead-rich pavonite homologues? The crystal structures of
 cupromakovickyite and makovickyite

atoms_sites:
["Bi1", "Ag1", "Bi2", "Bi3", "Ag3", "Bi4", "Ag4", "Bi5", "Pb", "Cu1", "Cu2", "S1", "S2", "S3", "S4", "S5", "S6", "S7", "S8", "S9", "S10"]

atoms_x:
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atoms_y:
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formula: Cu1.062 Ag.68 Bi5.6 S9
compound: Felbertal, Austria
formula_title: <missing>
a: 13.239
b: 4.0547
c: 14.667
alpha: 90
beta: 99.397
gamma: 90
cell_volume: 776.762
crystal_density: 6.840
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pub_title:
 What is the reason for the doubled unit-cell volumes of
 copper-lead-rich pavonite homologues? The crystal structures of
 cupromakovickyite and makovickyite

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compound: Tien-Shan Mountains, northern Tajikistan
pub_title: The crystal structure of nalivkinite, a new lithium member of the astrophyllite group
formula_title: <missing>
a: 5.3745
b: 11.9299
c: 11.6509
alpha: 113.325
beta: 94.524
gamma: 103.080
cell_volume: 656.214
crystal_density: 3.311
formula:
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formula: S12 Fe4.47 Mg3.53 Al K2 O66.252 H36.504
compound: Madeni Zakh, Iran
pub_title: Pertlikite, a new tetragonal Mg-rich member of the voltaite group from Madeni Zakh, Iran
formula_title: <missing>
a: 19.2080
b: 19.2080
c: 27.2158
alpha: 90
beta: 90
gamma: 90
cell_volume: 10041.194
crystal_density: 2.543
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formula: Mg B O3 H
compound: Penobsquis, Kings County, New Brunswick, Canada
pub_title: Szaibelyite: Crystal structure analysis and hydrogen bonding
formula_title: <missing>
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b: 10.415
c: 3.1340
alpha: 90
beta: 95.923
gamma: 90
cell_volume: 408.622
crystal_density: 2.735
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formula: Ca2 Mg V10 O44 H32
compound: Blue Cap mine, San Juan County, Utah, USA
pub_title: Magnesiopascoite, a new member of the pascoite group: description and crystal structure
formula_title: <missing>
a: 19.8442
b: 9.9353
c: 10.7149
alpha: 90
beta: 120.305
gamma: 90
cell_volume: 1823.855
crystal_density: 2.458
atoms_occupancy: 0
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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>
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b: 6.0818
c: 7.1793
alpha: 90
beta: 90
gamma: 120
cell_volume: 229.973
crystal_density: 3.360
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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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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

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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_occupancy: 0
atoms_u_iso: 0BQCADBvAQDgQQEAUKQBACBIAQCQRgEAMD0BAFBZAQA=
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

qdat:
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formula: Na.9 Ca.09 Be C O5 H2.92
compound: Poudrette quarry, Mont Saint-Hilaire, Quebec, Canada
formula_title: <missing>
a: 13.1304
b: 13.1304
c: 5.4189
alpha: 90
beta: 90
gamma: 90
cell_volume: 934.258
crystal_density: 1.824
atoms_sites: ["Na", "Ca", "Be", "C", "O1", "O2", "O3", "O3H", "H", "Wat"]
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atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Niveolanite, the first natural beryllium carbonate, a new mineral species from
 Mont Saint-Hilaire, Quebec, Canada

qdat:
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formula: Pb Zn.438 Fe3 As2 O14 H6
compound: Broken Hill, Australia
formula_title: <missing>
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b: 14.8753
c: 12.1700
alpha: 90
beta: 110.681
gamma: 90
cell_volume: 4384.875
crystal_density: 4.746
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pub_title:
 A new crystal-chemical variation of the alunite-type structure
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pub_title:
 Lasalite, Na2Mg2[V10O28]*20H2O, a new decavanadate mineral species from the
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 and relationship to the pascoite group of minerals

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pub_title: Compressibility and high-pressure behavior of Ab63Or27An10 anorthoclase Note: P = 4.7 GPa
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pub_title: Compressibility and high-pressure behavior of Ab63Or27An10 anorthoclase Note: P = 6.0 GPa
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formula: K.57 Na3.24 (Al3.84 Si4.16) O16
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pub_title:
 The mechanism of coupling in the modulated structure of nepheline
 Note: natural sample
 Note: T = 110 K

atoms_sites:
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formula: K.57 Na3.24 (Al3.84 Si4.16) O16
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pub_title:
 The mechanism of coupling in the modulated structure of nepheline
 Note: natural sample
 Note: T = 200 K

atoms_sites:
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pub_title:
 The mechanism of coupling in the modulated structure of nepheline
 Note: natural sample
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compound: Snipe River, Tambani, Malawi
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formula: K.57 Na3.24 (Al3.84 Si4.16) O16
compound: Snipe River, Tambani, Malawi
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 The crystal chemistry of the scapolite-group minerals. I. crystal structure and
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pub_title:
 The crystal chemistry of the scapolite-group minerals. I. crystal structure and
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 Note: S6

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pub_title:
 The crystal chemistry of the scapolite-group minerals. I. crystal structure and
 long-range order
 Note: S7

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pub_title:
 The crystal chemistry of the scapolite-group minerals. I. crystal structure and
 long-range order
 Note: S8

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pub_title:
 The crystal chemistry of the scapolite-group minerals. I. crystal structure and
 long-range order
 Note: S9

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pub_title:
 The crystal chemistry of the scapolite-group minerals. I. crystal structure and
 long-range order
 Note: S10

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pub_title:
 The crystal chemistry of the scapolite-group minerals. I. crystal structure and
 long-range order
 Note: S11

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pub_title:
 The crystal chemistry of the scapolite-group minerals. I. crystal structure and
 long-range order
 Note: S12

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pub_title:
 The crystal chemistry of the scapolite-group minerals. I. crystal structure and
 long-range order
 Note: S13

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pub_title:
 The crystal chemistry of the scapolite-group minerals. I. crystal structure and
 long-range order
 Note: S14

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pub_title:
 The crystal chemistry of the scapolite-group minerals. I. crystal structure and
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 Note: S15

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pub_title:
 The crystal chemistry of the scapolite-group minerals. I. crystal structure and
 long-range order
 Note: S16

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pub_title:
 The crystal chemistry of the scapolite-group minerals. I. crystal structure and
 long-range order
 Note: S17

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pub_title:
 The crystal chemistry of the scapolite-group minerals. I. crystal structure and
 long-range order
 Note: S18

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pub_title:
 Increase in Al-Si and Na-Ca disorder with temperature in scapolite Me32.9
 Note: T = 25 C (HRPXRD)
 Note: 32.9% Meionite, 67.1% Marialite

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pub_title:
 Increase in Al-Si and Na-Ca disorder with temperature in scapolite Me32.9
 Note: T = 26 C
 Note: 32.9% Meionite, 67.1% Marialite

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pub_title:
 Increase in Al-Si and Na-Ca disorder with temperature in scapolite Me32.9
 Note: T = 105 C
 Note: 32.9% Meionite, 67.1% Marialite

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pub_title:
 Increase in Al-Si and Na-Ca disorder with temperature in scapolite Me32.9
 Note: T = 204 C
 Note: 32.9% Meionite, 67.1% Marialite

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 Increase in Al-Si and Na-Ca disorder with temperature in scapolite Me32.9
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 Increase in Al-Si and Na-Ca disorder with temperature in scapolite Me32.9
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pub_title:
 Increase in Al-Si and Na-Ca disorder with temperature in scapolite Me32.9
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pub_title:
 Increase in Al-Si and Na-Ca disorder with temperature in scapolite Me32.9
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pub_title:
 Increase in Al-Si and Na-Ca disorder with temperature in scapolite Me32.9
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 Increase in Al-Si and Na-Ca disorder with temperature in scapolite Me32.9
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 Increase in Al-Si and Na-Ca disorder with temperature in scapolite Me32.9
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 Powder neutron-diffraction studies of clinopyroxenes. I. The crystal structure
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 Powder neutron-diffraction studies of clinopyroxenes. I. The crystal structure
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 Powder neutron-diffraction studies of clinopyroxenes. I. The crystal structure
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 Powder neutron-diffraction studies of clinopyroxenes. I. The crystal structure
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 Powder neutron-diffraction studies of clinopyroxenes. I. The crystal structure
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 Powder neutron-diffraction studies of clinopyroxenes. I. The crystal structure
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 Powder neutron-diffraction studies of clinopyroxenes. I. The crystal structure
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 Powder neutron-diffraction studies of clinopyroxenes. I. The crystal structure
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pub_title:
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pub_title:
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 Powder neutron-diffraction studies of clinopyroxenes. I. The crystal structure
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formula: Pb13.51 Sb15.45 S36 O.59
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pub_title:
 The crystal structure of sulfosalts with the boxwork architecture and
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formula: Bi20 Pb16 Cu2 Se18.38 S28.12
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pub_title:
 Proudite: A redetermination of its crystal structure and the
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pub_title:
 Pasavaite, Pd3Pb2Te2, a new platinum-group mineral species from
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formula: Pb3 Al S (O11 H7)
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pub_title: The crystal structure of krivovichevite, Pb3[Al(OH)6](SO4)(OH)
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pub_title: The crystal structure of burgessite, Co2(H2O)4[AsO3(OH)]2(H2O), and its relation to erythrite
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formula: Na.89 Ca.04 Mn.6 Fe.43 Al.01 P O7 H5
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pub_title:
 The crystal structure of ercitite, Na2(H2O)4[Mn3+2(OH)2(PO4)2],
 and its relation to bermanite, Mn2+(H2O)4[Mn3+2(OH)2(PO4)2]

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formula: Na4.6 Ca4.04 Si16 O41 F2 H6
compound: Poudrette quarry, Mont Saint-Hilaire, Quesbec, Canada
formula_title: <missing>
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b: 9.613
c: 12.115
alpha: 96.62
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gamma: 119.81
cell_volume: 954.823
crystal_density: 2.464
pub_title:
 Lalondeite, a new hydrated Na-Ca fluorosilicate species from Mont Saint-Hilaire,
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compound: Erzwies, Austria
formula_title: <missing>
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pub_title:
 Dantopaite, Ag5Bi13S22, the 6P natural member of the pavonite homologous
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compound: Vulcano, Italy
pub_title: The crystal structure of 7H:12Q cannizzarite from Vulcano, Italy
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pub_title:
 Crystal chemistry of dark blue aquamarine from the True Blue showing,
 Yukon Territory, Canada
 Note: X-ray

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pub_title:
 Crystal chemistry of dark blue aquamarine from the True Blue showing,
 Yukon Territory, Canada
 Note: neutron

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formula_title: <missing>
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beta: 90
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pub_title:
 A crystallographic study of the incomplete solid-solution
 between plumbojarosite and jarosite
 Note Sample G

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compound: Poudrette quarry, Mont Saint-Hilaire, Quebec, Canada
pub_title: Bussyite-(Ce), a new beryllium silicate mineral species from Mont Saint-Hilaire, Quebec
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cell_volume: 2674.112
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formula:
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formula: Sn Cl6 N2 H8
compound: La Fossa crater, Vulcano, Aeolian Islands, Italy
formula_title: <missing>
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b: 10.064
c: 10.064
alpha: 90
beta: 90
gamma: 90
cell_volume: 1019.323
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pub_title:
 Panichiite, natural ammonium hexachlorostannate(IV), (NH4)2SnCl6,
 from La Fossa crater, Vulcano, Aeolian Islands, Italy

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crystal_density: 5.616
pub_title:
 Steropesite, Tl3BiCl6, a new thallium bismuth chloride from La Fossa crater, Vulcano, Aeolian Islands, Italy

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formula: Ca Ti O3
compound: <missing>
formula_title: <missing>
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c: 7.64208
alpha: 90
beta: 90
gamma: 90
cell_volume: 223.583
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pub_title:
 Parameterization of the crystal structures of centerosymmetric
 zone-boundary-tilted perovskites: An analysis in terms of symmetry-adapted
 basis-vectors of the cubic aristotype phase

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formula: Cs3 Y Si8 O19
compound: Synthetic
pub_title: Crystal chemistry and topology of two flux-grown yttrium silicates, BaKYSi2O7 and Cs3YSi8O19
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cell_volume: 2184.896
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formula: Ba K Y Si2 O7
compound: Synthetic
pub_title: Crystal chemistry and topology of two flux-grown yttrium silicates, BaKYSi2O7 and Cs3YSi8O19
formula_title: BaKYSi2O7
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formula: Fe S2 O9
compound: Synthetic
pub_title: The atomic structure of (H3O)Fe3+(SO4)2 and rhomboclase, (H5O2)Fe3+(SO4)2*2H2O
formula_title: (H3O)Fe(SO4)2
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gamma: 89.951
cell_volume: 311.294
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formula: Fe S2 O12 H9
compound: Alcoparrosa, Chile
pub_title: The atomic structure of (H3O)Fe3+(SO4)2 and rhomboclase, (H5O2)Fe3+(SO4)2*2H2O
formula_title: <missing>
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b: 18.2040
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crystal_density: 2.229
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formula: Pb Cu S O6 H2
compound: Leadhills, Lanarkshire, Scotland
formula_title: <missing>
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b: 5.646
c: 4.683
alpha: 90
beta: 102.66
gamma: 90
cell_volume: 249.770
crystal_density: 5.330
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pub_title:
 Proton location and hydrogen bonding in the hydrous lead copper
 sulfates linarite, PbCu(SO4)(OH)2, and caledonite, Pb5Cu2(SO4)3CO3(OH)6

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formula: Pb5 Cu2 S3 O21 C H6
compound: Leadhills, Lanarkshire, Scotland
formula_title: <missing>
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b: 7.141
c: 6.563
alpha: 90
beta: 90
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cell_volume: 941.311
crystal_density: 5.692
atoms_occupancy: 0
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pub_title:
 Proton location and hydrogen bonding in the hydrous lead copper
 sulfates linarite, PbCu(SO4)(OH)2, and caledonite, Pb5Cu2(SO4)3CO3(OH)6

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formula: (Ti.96 Nb.04) O17.8 Na.24 Ca3.58 Ce1.1 Zr.08 Si4 F.9 H5.42
compound: nepheline syenite pegmatites on Laven Island, Langesundsfjord, Norway
pub_title: Mosandrite: Structural and crystal-chemical relationships with rinkite
formula_title: <missing>
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b: 5.595
c: 18.662
alpha: 90
beta: 101.37
gamma: 90
cell_volume: 757.294
crystal_density: 3.420
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formula: K.746 Ca1.902 (Fe2.818 Mg2.182) Si7.492 Al.468 O22.02 F1.98
compound: the Greenwood mine, Orange County, New York, USA
formula_title: <missing>
a: 9.9480
b: 18.1777
c: 5.3302
alpha: 90
beta: 105.140
gamma: 90
cell_volume: 930.414
crystal_density: 3.315
atoms_aniso_label: "<missing>"
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pub_title:
 Fluoro-potassichastingsite from the Greenwood mine, Orange County, New York:
 A new end-member calcic amphibole

atoms_sites:
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atoms_z:
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atoms_occupancy:
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atoms_u_iso:
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qdat:
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formula: Na.88 K.1 Mg3.66 Fe.47 Al2.37 Cr.2 Ca1.8 Si6.44 O24 H2
compound: Fiskenaesset, Greenland
formula_title: <missing>
a: 9.8059
b: 17.9721
c: 5.3012
alpha: 90
beta: 105.063
gamma: 90
cell_volume: 902.144
crystal_density: 3.139
pub_title:
 Crystal structure and Mossbauer spectroscopy of tschermakite from the ruby
 locality at Fiskenaesset, Greenland

atoms_sites:
["NaA2", "NaAm", "KAm", "MgM1", "FeM1", "MgM2", "AlM2", "CrM2", "FeM2", "MgM3", "AlM3", "FeM3", "CaM4", "NaM4", "FeM4", "SiT1", "AlT1", "SiT2", "AlT2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "H"]

atoms_x:
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atoms_y:
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atoms_z:
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atoms_occupancy:
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atoms_u_iso:
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atoms_aniso_label:
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atoms_aniso_u11:
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atoms_aniso_u22:
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atoms_aniso_u33:
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atoms_aniso_u12:
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atoms_aniso_u13:
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atoms_aniso_u23:
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qdat:
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