# cif

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pub_title: A-site disorder in synthetic fluor-edenite, a crystal-structure study
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compound: Nepal
pub_title: The crystal chemistry of manganese-bearing elbaite Sample: NP1
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compound: Nepal
pub_title: The crystal chemistry of manganese-bearing elbaite Sample: NP1, split atom model
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pub_title: The crystal chemistry of manganese-bearing elbaite Sample: NP2
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compound: Nepal
pub_title: The crystal chemistry of manganese-bearing elbaite Sample: NP2, split atom model
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compound: Zambia
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compound: Zambia
pub_title: The crystal chemistry of manganese-bearing elbaite Sample: NP3, split atom model
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pub_title: The crystal chemistry of manganese-bearing elbaite Sample: T10
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pub_title: The crystal chemistry of manganese-bearing elbaite Sample: T10, split atom model
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compound: Zambia
pub_title: The crystal chemistry of manganese-bearing elbaite Sample: T11
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pub_title: The crystal chemistry of manganese-bearing elbaite Sample: T12
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pub_title: The crystal chemistry of manganese-bearing elbaite Sample: T12, split atom model
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pub_title: The crystal chemistry of manganese-bearing elbaite Sample: T15
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formula: Ca.17 Na.49 Al7.74 Mn.03 Li1.35 Si5.88 B3 F.52 O30.48 H3.48
compound: San Diego mine
pub_title: The crystal chemistry of manganese-bearing elbaite Sample: SD
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formula: Ca14 Mn3 Zn2.76 Be7.24 Si14 O58 H6
compound: Franklin, New Jersey, USA
formula_title: <missing>
a: 9.068
b: 17.992
c: 14.586
alpha: 90
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pub_title:
 Samfowlerite, a new Ca Mn Zn beryllosilicate mineral
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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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formula: V2 Ca.72 O5
compound: Minasragu, Peru
formula_title: <missing>
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b: 3.6537
c: 11.023
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beta: 105.00
gamma: 90
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pub_title:
 The crystal structure and crystal chemistry of fernandinite and corvusite
 Minasragu, Peru, with general formula (Ca,Na,K)x(V,Fe,Ti)8O20.4H2O

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compound: <missing>
pub_title: Revision of the crystal structure of mrazekite, Bi2Cu3(OH)2O2(PO4)2.2H2O
formula_title: <missing>
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formula: Pb7 Cu2 S4 Si2 O26
compound: Mammoth-St Anthony mine, Tiger, Pinal County, Arizona, USA
formula_title: <missing>
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b: 5.787
c: 9.142
alpha: 90
beta: 91.24
gamma: 90
cell_volume: 1099.579
crystal_density: 6.578
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pub_title:
 The crystal structure of wherryite, Pb7Cu2(SO4)4(SiO4)2(OH)2, a mixed
 sulfate-silicate with [M(TO4)2] chains

atoms_sites:
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formula: N2 S6 K3 Mg Na8 O36
compound: <missing>
pub_title: The crystal structure of humberstonite, a mixed sulfate-nitrate mineral
formula_title: <missing>
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b: 10.9055
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beta: 90
gamma: 120
cell_volume: 2512.585
crystal_density: 2.224
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pub_title:
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pub_title:
 The crystal structure of wickenburgite, Pb3CaAl[AlSi10O27](H2O)3, a sheet
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 Sample: UBC refinement

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pub_title:
 The crystal structure of wickenburgite, Pb3CaAl[AlSi10O27](H2O)3, a sheet
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 Sample: UMAN refinement

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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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atoms_sites: ["Si", "MgM1", "FeM1", "MgM2", "FeM2", "O1", "O2", "O3"]
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pub_title:
 Characterization of fine-grained mixtures of rock-forming minerals by Rietveld
 structure refinement: olivine + pyroxene
 Sample: P1 Rietveld, 9.9% olivine

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

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

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

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

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

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

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

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formula: Si (Mg1.802 Fe.198) O4
compound: <missing>
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pub_title:
 Characterization of fine-grained mixtures of rock-forming minerals by Rietveld
 structure refinement: olivine + pyroxene
 Sample: P9 Rietveld, 89.6% olivine

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formula: Na3 Ca6 U4 C12 O61 H34
compound: <missing>
formula_title: Na3Ca6(UO2)4(CO3)12(H2O)17
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pub_title:
 The structure and physicochemical characteristics of a synthetic
 phase compositionally intermediate between liebigite and andersonite

atoms_sites:
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atoms_y:

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formula: (Ca.475 Y.36 Dy.05 Gd.045 Er.02 Ho.015 Sm.015 Yb.005 Nd.005 Tb.005 Ce.005) Na.3 F2.7
compound: <missing>
pub_title: Refinement of the structure of gagarinite-(Y), Nax(CaxREE2-x)F6
formula_title: <missing>
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c: 3.5413
alpha: 90
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cell_volume: 109.929
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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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compound: Mont Saint-Hilaire, Quebec, Canada
formula_title: <missing>
a: 16.020
b: 16.020
c: 19.920
alpha: 90
beta: 90
gamma: 120
cell_volume: 4427.361
crystal_density: 3.330
pub_title:
 Abenakiite-(Ce), a new silicophosphate carbonate mineral from Mont
 Saint-Hilaire, Quebec: description and structure determination

atoms_sites:
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formula: Zn2 Si7 Na4 O24 H8
compound: Mont Saint-Hilaire, Quebec, Canada
formula_title: <missing>
a: 10.231
b: 39.91
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alpha: 90
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pub_title:
 Gaultite, a new zeolite-like mineral species from Mont Saint-Hilaire, Quebec,
 and its crystal structure

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compound: Mont Saint-Hilaire, Quebec, Canada
pub_title: The atomic arrangement of synchysite-(Ce), CeCaF(CO3)2
formula_title: <missing>
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beta: 107.57
gamma: 93.65
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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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pub_title:
 Characterization of the FeSO4.H2O - CuSO4.H2O solid solution series, and the
 nature of poitevinite, (Cu,Fe)SO4.H2O
 Sample: Cu-48,Fe-52

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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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compound: <missing>
pub_title: Kaliborite: An example of a crystallographically symmetrical hydrogen bond
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compound: <missing>
pub_title: Hydrogen bonding in tunellite
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formula: Mn Sn B2 O6
compound: <missing>
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atoms_sites: ["SiT1", "SiT2", "MgM1", "MgM2", "MgM3", "CaM4", "MgM4", "O1", "O2", "F3", "O4", "O5", "O6", "O7"]
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pub_title:
 Synthesis and rietveld refinement of amphibole along
 the join Ca2Mg5Si8O22F2 - NaCa2Mg4Ga3Si6O22F2
 Sample: TREM 19-3

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pub_title:
 Synthesis and rietveld refinement of amphibole along
 the join Ca2Mg5Si8O22F2 - NaCa2Mg4Ga3Si6O22F2
 Sample: PARG 10-1

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pub_title:
 Synthesis and rietveld refinement of amphibole along
 the join Ca2Mg5Si8O22F2 - NaCa2Mg4Ga3Si6O22F2
 Sample: PARG 9-1

atoms_sites:
["SiT1", "GaT1", "SiT2", "GaT2", "MgM1", "MgM2", "GaM2", "MgM3", "CaM4", "MgM4", "NaA", "O1", "O2", "F3", "O4", "O5", "O6", "O7"]

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pub_title:
 Synthesis and rietveld refinement of amphibole along
 the join Ca2Mg5Si8O22F2 - NaCa2Mg4Ga3Si6O22F2
 Sample: PARG 8-2

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pub_title:
 Synthesis and rietveld refinement of amphibole along
 the join Ca2Mg5Si8O22F2 - NaCa2Mg4Ga3Si6O22F2
 Sample: PARG 7-1

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pub_title:
 Synthesis and rietveld refinement of amphibole along
 the join Ca2Mg5Si8O22F2 - NaCa2Mg4Ga3Si6O22F2
 Sample: PARG 6-4

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formula: Si6.012 Al2.762 Mg4.306 Ca2.12 Na.85 O22 F2
compound: Synthetic
formula_title: <missing>
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pub_title:
 Synthesis and crystal-structure refinement of synthetic fluor-pargasite
 Sample: FP1  [note: ideal = NaCa2(Mg4Al)(Si6Al2)O22(OH)2]

atoms_sites:
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formula: Si5.88 Al3.058 Mg8.062 Fe2 Ca2.2 Na.8 O22 F2
compound: Synthetic
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pub_title:
 Synthesis and crystal-structure refinement of synthetic fluor-pargasite
 Sample FP2  [note: ideal = NaCa2(Mg4Al)(Si6Al2)O22(OH)2]

atoms_sites:
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formula: Pb Te Cu3 O8 H2
compound: <missing>
pub_title: Parakhinite, Cu3PbTeO6(OH)2: Crystal structure and revision of chemical formula
formula_title: <missing>
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b: 5.765
c: 18.001
alpha: 90
beta: 90
gamma: 120
cell_volume: 518.115
crystal_density: 6.302
atoms_sites: ["Pb", "Te", "Cu1", "Cu2", "Cu3", "O1", "O2", "O3", "O4", "O5", "O6", "O-H7", "O-H8"]
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formula: Pb Te Cu3 O8 H2
compound: <missing>
formula_title: <missing>
a: 5.765
b: 5.765
c: 18.001
alpha: 90
beta: 90
gamma: 120
cell_volume: 518.115
crystal_density: 6.302
atoms_sites: ["Pb", "Te", "Cu1", "Cu2", "Cu3", "O1", "O2", "O3", "O4", "O5", "O6", "O-H7", "O-H8"]
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atoms_u_iso: cJQAALAEAADAEgAAYAkAANAHAACgDwAAMCoAAEA4AABgCQAAYIYAAKAPAABwFwAAsB0AAA==
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pub_title:
 Parakhinite, Cu3PbTeO6(OH)2: Crystal structure and revision of chemical formula
 Note: This mineral is now known as the -3T polytype of khinite,
 formerly known as parakhinite

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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>
a: 11.274
b: 11.669
c: 6.603
alpha: 90
beta: 98.19
gamma: 90
cell_volume: 859.807
crystal_density: 8.891
atoms_sites: ["Hg1", "Hg2", "Hg3", "Cr", "O1", "O2", "O3"]
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atoms_aniso_label: ["Hg1", "Hg2", "Hg3"]
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formula: Si2.34 Fe1.36 Ti1.06 Al.14 Zr.04 Mg.13 Mn.02 Ca2.88 Na.03 O12
compound: <missing>
formula_title: <missing>
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b: 12.157
c: 12.157
alpha: 90
beta: 90
gamma: 90
cell_volume: 1796.715
crystal_density: 3.787
atoms_sites: ["SiZ", "FeZ", "TiY", "FeY", "AlY", "ZrY", "MgY", "MnY", "CaX", "MgX", "NaX", "O"]
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pub_title: The crystal chemistry of Si=Al substitution in tourmaline Sample: T79
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pub_title: The crystal chemistry of Si=Al substitution in tourmaline Sample: T80
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pub_title:
 Crystal-structure refinement of boromuscovite polytypes using a coupled
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pub_title:
 Crystal-structure refinement of boromuscovite polytypes using a coupled
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pub_title: [6]Al disorder in amphiboles from mantle peridotites Sample: F1
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pub_title: [6]Al disorder in amphiboles from mantle peridotites Sample: F7
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pub_title: [6]Al disorder in amphiboles from mantle peridotites Sample: F8
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pub_title: [6]Al disorder in amphiboles from mantle peridotites Sample: F9
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pub_title: [6]Al disorder in amphiboles from mantle peridotites Sample: F13
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pub_title: The structure of NaCa2LuSi2O7F2, a synthetic phase of the cuspidine group
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formula: As Cu2 O5
compound: <missing>
pub_title: Rietveld refinement of the crystal structure of olivenite: A twinned monoclinic structure
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compound: <missing>
formula_title: <missing>
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beta: 90
gamma: 90
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crystal_density: 4.482
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pub_title:
 Rietveld refinement of the crystal structure of olivenite: A twinned monoclinic
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 Note: The sign of Cu1-z coordinate changed.

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formula: Na8 Mn2 Si10 O39 H2
compound: <missing>
pub_title: Varennesite, a new species of hydrated Na-Mn silicate with a unique monophyllosilicate structure
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formula: Ba Mn3 Ti18 O38
compound: <missing>
pub_title: Preparation and structure refinement of synthetic Ti-containing lindsleyite, BaMn3Ti18O38
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compound: <missing>
formula_title: <missing>
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pub_title:
 The structure and physicochemical characteristics of synthetic zippeite
 Note: S occupancies increase from .5 to full to match formula

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formula: Ba U3 Se2 O17 H6
compound: <missing>
pub_title: The crystal structure of guilleminite, a hydrated Ba-U-Se sheet structure
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formula: Cu As H3 O5
compound: Cap Garone, France
pub_title: The crystal structure of geminite, Cu(AsO3OH)(H2O), a heteropolyhedral sheet structure
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formula: Cu Pb V H O5
compound: <missing>
formula_title: <missing>
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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>
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b: 5.880
c: 5.500
alpha: 90
beta: 90
gamma: 90
cell_volume: 190.159
crystal_density: 5.387
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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
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beta: 90
gamma: 90
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pub_title: Jensenite, a cupric tellurate framework structure with two coordinations of copper
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pub_title: The crystal structure of clinoatacamite, a new polymorph of Cu2(OH)3Cl
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pub_title:
 The crystal structure of ludlockite, PbFe4As10O22, the mineral with
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pub_title:
 The crystal structure of shigaite, [AlMn2(OH)6]3(SO4)2Na(H2O)6{H2O}6, a
 hydrotalcite-group mineral

atoms_sites:
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pub_title:
 The crystal structure of rapidcreekite, Ca2(SO4)(CO3)(H2O)4,
 and its relation to the structure of gypsum

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compound: Mont Saint-Hilaire, Quebec, Canada
pub_title: Phosinaite-(Ce) from Mont Saint-Hilaire, Quebec: New data and structure refinement
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cell_volume: 1306.085
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atoms_sites:
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formula: Al1.94 Si3.86 K.86 (O12 H2)
compound: <missing>
formula_title: <missing>
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pub_title:
 Rietveld refinement of micaceous materials: muscovite-2M1, a comparison
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 Sample: Rietveld refinement (transmission mode)

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pub_title:
 Rietveld refinement of micaceous materials: muscovite-2M1, a comparison
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 Sample: Rietveld refinement (reflection mode)

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pub_title:
 Rietveld refinement of micaceous materials: muscovite-2M1, a comparison
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 Sample: single-crystal refinement

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pub_title:
 Sodium at the A site in clinoamphiboles: the effects of composition
 on patterns of order
 Sample: A1 - DJ102 N.3

atoms_sites:
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pub_title:
 Sodium at the A site in clinoamphiboles: the effects of composition
 on patterns of order
 Sample: A2 - DJ102 N.4

atoms_sites:
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pub_title:
 Sodium at the A site in clinoamphiboles: the effects of composition
 on patterns of order
 Sample: A3 - Q95 N.32

atoms_sites:
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pub_title:
 Sodium at the A site in clinoamphiboles: the effects of composition
 on patterns of order
 Sample: A4 - DJ102 N.12

atoms_sites:
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pub_title:
 Sodium at the A site in clinoamphiboles: the effects of composition
 on patterns of order
 Sample: A5 - G230F N.3

atoms_sites:
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pub_title:
 Sodium at the A site in clinoamphiboles: the effects of composition
 on patterns of order
 Sample: A6 - Q99 N.3

atoms_sites:
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pub_title:
 Sodium at the A site in clinoamphiboles: the effects of composition
 on patterns of order
 Sample: A7 - D163 N.2

atoms_sites:
["SiT1", "AlT1", "SiT2", "MgM1", "FeM1", "AlM2", "TiM2", "FeM2", "MgM2", "MgM3", "FeM3", "FeM4", "CaM4", "NaM4", "FeM4*", "CaM4*", "NaM4*", "NaAm", "KAm", "NaA2", "KA2", "H", "O1", "O2", "O-h3", "F3", "O4", "O5", "O6", "O7"]

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pub_title:
 Sodium at the A site in clinoamphiboles: the effects of composition
 on patterns of order
 Sample: A8 - D167 N.1

atoms_sites:
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pub_title:
 Sodium at the A site in clinoamphiboles: the effects of composition
 on patterns of order
 Sample: A9 - BM47 N.1

atoms_sites:
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formula: Si7.08 Al1.85 Mg3.41 Fe.76 Ti.02 Ca.98 Na1.69 K.018 H2 O24
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atoms_aniso_u23: 0
pub_title:
 Sodium at the A site in clinoamphiboles: the effects of composition
 on patterns of order
 Sample: A10 - FE129 N.1

atoms_sites:
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formula: Si7.04 Al1.9 Mg3.69 Fe.49 Ti.02 Cr.04 Ca1.78 Na.944 K.01 H1.96 O23.96 F.04
compound: <missing>
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pub_title:
 Sodium at the A site in clinoamphiboles: the effects of composition
 on patterns of order
 Sample: A11 - FE229 N.18

atoms_sites:
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formula: Si7.04 Al2.04 Mg3.23 Fe.69 Ca1.76 Na1.204 K.038 H1.96 O23.96 F.04
compound: <missing>
formula_title: <missing>
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gamma: 90
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pub_title:
 Sodium at the A site in clinoamphiboles: the effects of composition
 on patterns of order
 Sample: A12 - KP N.1

atoms_sites:
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formula: Cu1.5 Zn2 Cd As3 O14 H4
compound: <missing>
formula_title: <missing>
a: 11.654
b: 12.780
c: 6.840
alpha: 90
beta: 99.11
gamma: 90
cell_volume: 1005.887
crystal_density: 5.225
atoms_sites: ["Cu1", "Cu2", "Zn", "Cd", "As1", "As2", "O1", "O2", "O3", "O4", "O5", "O6", "Wat"]
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pub_title:
 The crystal structure of keyite, Cu3(Zn,Cu)4Cd2(AsO4)6(H2O)2, an oxysalt mineral
 with essential cadmium

qdat:
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formula: Y Na3 C3 O12
compound: <missing>
pub_title: The crystal structure of shomiokite-(Y)
formula_title: <missing>
a: 10.042
b: 17.349
c: 5.948
alpha: 90
beta: 90
gamma: 90
cell_volume: 1036.253
crystal_density: 2.474
atoms_occupancy: 0
atoms_u_iso: 0
atoms_sites:
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formula: Ca2 Fe Cl B9 O23 H15
compound: <missing>
pub_title: Penobsquisite: A new borate mineral with a complex framework structure
formula_title: <missing>
a: 11.620
b: 9.407
c: 8.726
alpha: 90
beta: 98.58
gamma: 90
cell_volume: 943.158
crystal_density: 2.295
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
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atoms_sites:
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atoms_x:

atoms_y:

atoms_z:

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formula: Ti Ca O3
compound: <missing>
formula_title: <missing>
a: 5.380
b: 5.440
c: 7.639
alpha: 90
beta: 90
gamma: 90
cell_volume: 223.572
crystal_density: 4.039
atoms_sites: ["Ti", "Ca", "O1", "O2"]
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atoms_z: AAAAAEBCDwBAQg8A0EYCAA==
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pub_title:
 A single-crystal infrared spectroscopic and X-ray-diffraction study of untwinned
 San Benito perovskite containing OH groups

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formula: Na4 Zr2 Ti C4 O16
compound: Mont St-Hilaire, Quebec, Canada
pub_title: The crystal structure of sabinaite, Na4Zr2TiO4(CO3)4
formula_title: <missing>
a: 10.196
b: 6.616
c: 17.958
alpha: 90
beta: 94.14
gamma: 90
cell_volume: 1208.227
crystal_density: 3.443
atoms_sites: ["Na1", "Na2", "Zr", "Ti", "C1", "C2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8"]
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atoms_occupancy: 0
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atoms_aniso_label: ["Na1", "Na2", "Zr", "Ti", "C1", "C2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8"]
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formula: Y2 Si C O7
compound: Bokan Mountain, Prince of Wales Island, Alaska, USA
pub_title: The atomic arrangement of iimoriite-(Y), Y2(SiO4)(CO3)
formula_title: <missing>
a: 6.5495
b: 6.6291
c: 6.4395
alpha: 116.364
beta: 92.556
gamma: 95.506
cell_volume: 248.156
crystal_density: 4.415
atoms_sites: ["Y1", "Y2", "Si", "C", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
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formula: Te3 Mn2 O8
compound: Moctezuma, Sonora, Mexico
pub_title: The crystal structure of spiroffite
formula_title: <missing>
a: 12.870
b: 5.3813
c: 11.888
alpha: 90
beta: 98.22
gamma: 90
cell_volume: 814.873
crystal_density: 5.059
atoms_sites: ["Te1", "Te2", "Mn", "O1", "O2", "O3", "O4"]
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formula: Al.5 Ca.94 Sr.25 Na2.63 Ba.38 K.06 Pb.03 Fe6.02 Mg4.36 P12 O50
compound: Spluga Valley, Italy
formula_title: <missing>
a: 16.406
b: 9.945
c: 24.470
alpha: 90
beta: 105.73
gamma: 90
cell_volume: 3842.950
crystal_density: 3.125
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:
 Sigismundite, (Ba,K,Pb)Na3(Ca,Sr)(Fe,Mg,Mn)14Al(OH)2(PO4)12, a new
 Ba-rich member of the arrojadite group from Spluga Valley, Italy

atoms_sites:
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atoms_x:

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formula: Si7.28 Al Mg3.49 Fe1.33 Ti.06 Ca1.66 Na.625 Mn.02 K.015 H2 O23.8 F.2
compound: southwestern Finland
formula_title: <missing>
a: 9.857
b: 18.112
c: 5.309
alpha: 90
beta: 104.81
gamma: 90
cell_volume: 916.328
crystal_density: 3.126
atoms_aniso_label: "<missing>"
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Magnesian hornblende from a metamorphosed ultramafic body in southwestern
 Finland: crystal chemistry and petrological implications

atoms_sites:
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formula: Si7.88 Al.12 Fe4.3 Ti.06 Zn.06 Li.48 Mn.1 Na2.68 K.32 O22.84 (F1.16 H.84)
compound: Hurricane Mountain, New Hampshire, USA
formula_title: <missing>
a: 9.838
b: 17.991
c: 5.315
alpha: 90
beta: 103.78
gamma: 90
cell_volume: 913.654
crystal_density: 3.427
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:
 Lithium-bearing fluor-arfvedsonite from Hurricane
 Mountain, New Hampshire: a crystal-chemical study
 Sample: H1 - 2[(K.32Na.68)Na2(Li.48Fe2.83Mn.10Zn.06Fe1.46Ti.07)
 (Si7.88Al0.12)O22(F1.14{OH}.85)]

atoms_sites:
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formula: (Si7.76 Al.24) Fe3.88 Ti.06 Zn.06 Li Na2.75 K.25 O22.64 (F1.36 H.64)
compound: Hurricane Mountain, New Hampshire, USA
formula_title: <missing>
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cell_volume: 913.179
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pub_title:
 Lithium-bearing fluor-arfvedsonite from Hurricane
 Mountain, New Hampshire: a crystal-chemical study
 Sample:H2 - 2[(K.25Na.75)Na2(Li.48Fe2.84Mn.11Zn.05Fe1.45Ti.07)
 (Si7.89Al0.11)O22(F1.35{OH}.65)]

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formula: Si18 Al18 O92 Ca6 K33 F.501 Cl3.5 S5.002
compound: <missing>
pub_title: The crystal structure of liottite, a six-layer member of the cancrinite group
formula_title: <missing>
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c: 16.096
alpha: 90
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gamma: 120
cell_volume: 2308.903
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compound: <missing>
formula_title: <missing>
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alpha: 90
beta: 90
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cell_volume: 1093.329
crystal_density: 2.565
atoms_sites: ["NaM", "SiT1", "AlT1", "SiT2", "AlT2", "O1", "O2", "O3", "O4", "Cl"]
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pub_title:
 Marialite: Rietveld structure-refinement and Si MAS
 and Al satellite transition NMR spectroscopy
 Sample: syn-mar

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atoms_sites: ["NaM", "KM", "CaM", "SiT1", "AlT1", "SiT2", "AlT2", "O1", "O2", "O3", "O4", "Cl"]
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pub_title:
 Marialite: Rietveld structure-refinement and Si MAS
 and Al satellite transition NMR spectroscopy
 Sample: PAM-1

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compound: <missing>
formula_title: <missing>
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atoms_sites: ["NaM", "KM", "CaM", "SiT1", "AlT1", "SiT2", "AlT2", "O1", "O2", "O3", "O4", "Cl", "O-H"]
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pub_title:
 Marialite: Rietveld structure-refinement and Si MAS
 and Al satellite transition NMR spectroscopy
 Sample: PAM-2

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pub_title:
 Marialite: Rietveld structure-refinement and Si MAS
 and Al satellite transition NMR spectroscopy
 Sample: PAM-3

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formula: Si4 Fe.69 Zn1.2 Mg.68 Al8.4 Ti.04 O24
compound: <missing>
pub_title: Crystal-structure refinement of a highly ordered staurolite
formula_title: <missing>
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alpha: 90
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cell_volume: 741.095
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compound: <missing>
formula_title: <missing>
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pub_title:
 X-ray and neutron crystal-structure refinements of a boron-bearing vesuvianite
 Sample: X-ray data, 298 K

atoms_sites:
["SiZ1", "SiZ2", "SiZ3", "CaX1", "CaX2", "CaX3", "CaX4", "FeY1", "AlY2", "AlY3", "FeY3", "BT1", "AlT1", "BT2", "O1", "O2", "O3", "O4", "O5", "O6", "O7a", "O7b", "O8", "O9", "O10", "O11", "O12"]

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compound: <missing>
formula_title: <missing>
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pub_title:
 X-ray and neutron crystal-structure refinements of a boron-bearing vesuvianite
 Sample: neutron data, 15 K

atoms_sites:
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formula: U4 O21 H18
compound: <missing>
pub_title: The crystal structure of schoepite, [(UO2)8O2(OH)12](H2O)12
formula_title: <missing>
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pub_title:
 Nezilovite, a new member of the magnetoplumbite group, and the crystal
 chemistry of mognetoplumbite and hibonite

atoms_sites:
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formula_title: <missing>
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b: 5.902
c: 23.185
alpha: 90
beta: 90
gamma: 120
cell_volume: 699.417
crystal_density: 5.739
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pub_title:
 Nezilovite, a new member of the magnetoplumbite group, and the crystal
 chemistry of mognetoplumbite and hibonite

atoms_sites:
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formula_title: <missing>
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alpha: 90
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pub_title:
 Nezilovite, a new member of the magnetoplumbite group, and the crystal
 chemistry of mognetoplumbite and hibonite

atoms_sites:
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compound: Tsumeb, Namibia
formula_title: <missing>
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b: 7.225
c: 17.03
alpha: 90
beta: 90
gamma: 120
cell_volume: 769.876
crystal_density: 11.909
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pub_title:
 Gallobeudantite, PbGa3[(AsO4),(SO4)]2(OH)6, a new mineral species from Tsumeb,
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formula_title: <missing>
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beta: 90
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pub_title:
 Sheldrickite, a new sodium-calcium-fluorocarbonate mineral
 species from Mont Saint-Hilaire, Quebec

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formula: Na Y C O3 F2
compound: Mont Saint-Hilaire, Quebec, Canada
pub_title: Horvathite-(Y), rare-earth fluorocarbonate, a new mineral species from Mont Saint-Hilaire, Quebec
formula_title: <missing>
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alpha: 90
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formula: Ca3 Cl2 B5 O21 H23
compound: <missing>
pub_title: Brianroulstonite: A new borate mineral with a sheet structure
formula_title: <missing>
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b: 8.079
c: 8.693
alpha: 90
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gamma: 90
cell_volume: 1039.295
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formula: Te Cu2 Mg O12
compound: <missing>
pub_title: The crystal structure of leisingite, (Cu,Mg,Zn)2(Mg,Fe)TeO6.6H2O
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formula: Hg5 Cr S2 O5
compound: <missing>
pub_title: The crystal structure of deanesmithite, Hg2Hg3CrO5S2
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formula: (Pd2.88 Pt.12) (Pb.89 Bi.11)
compound: <missing>
pub_title: The crystal structure and calculated powder-diffraction data for zvyagintsevite, Pd3Pb
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formula: P6 Fe4.24 Mg.96 Al.18 Mn.6 Ca2 Na H4 O26
compound: <missing>
pub_title: The crystal structure of wicksite
formula_title: <missing>
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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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pub_title:
 The atomic arrangement of brackebuschite, redefined as Pb2(Mn,Fe)(VO4)2(OH),
 and comments on Mn octahedra

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pub_title:
 Structure determination of vistepite SnMn4B2Si4O16(OH)2: Isotypism with
 bustamite, revised crystallographic data and composition

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pub_title:
 Refinement of the crystal structure of nuffieldite, Pb2Cu1.4(Pb.4Bi.4Sb.2)Bi2S7:
 Structural relationships and genesis of complex lead sulfosalt structures

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compound: <missing>
pub_title: The crystal structure of jorgensenite
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formula: Na Al5 Fe P4 H10 O24
compound: <missing>
pub_title: Refinement of the crystal structure of burangaite
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formula_title: <missing>
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pub_title:
 New data on the structure of norbergite: location of hydrogen
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 Sample: HV43 N4

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pub_title:
 New data on the structure of norbergite: location of hydrogen
 by X-ray diffraction
 Sample: HV47 N1

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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
 of the sequence of tunnel Ba cations

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compound: Pargas, Turku-Pori, Finland
pub_title: Potassicpargasite, a new member of the amphibole group from Pargas, Turku-Pori, Finland
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formula: Te As6 Pb3 Zn3 O18
compound: <missing>
pub_title: The crystal structure of dugganite, Pb3Zn3TeAs2O14
formula_title: <missing>
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compound: <missing>
formula_title: <missing>
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b: 9.0153
c: 20.0457
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gamma: 90
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pub_title:
 Triclinic muscovite: X-ray diffraction, neutron diffraction and
 photo-acoustic FTIR spectroscopy
 Sample: room temperature

atoms_sites:
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compound: <missing>
formula_title: <missing>
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b: 8.962
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pub_title:
 Triclinic muscovite: X-ray diffraction, neutron diffraction and
 photo-acoustic FTIR spectroscopy
 Sample: T = 12 K

atoms_sites:
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formula: Si18 Ca19 Al9.92 Mg1.92 Fe1.16 H11 O78
compound: <missing>
pub_title: X-ray and neutron single-crystal study of P4/n vesuvianite Sample: neutron
formula_title: <missing>
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formula: Si9 Ca9.5 Al4.96 Mg.96 Fe.58 O39 H5
compound: <missing>
pub_title: X-ray and neutron single-crystal study of P4/n vesuvianite Sample: X-ray
formula_title: <missing>
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formula: Gd2 Si4 Mg Na2 F2 O12
compound: <missing>
pub_title: The crystal structure of Na2MgGd2(Si4O12)F2 and its relationship with leucophanite
formula_title: Na2MgGd2(Si4O12)F2
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formula: Ba Zn2 P2 O8
compound: <missing>
formula_title: Ba(ZnPO4)2
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b: 9.7383
c: 9.1446
alpha: 90
beta: 91.394
gamma: 90
cell_volume: 763.696
crystal_density: 3.984
atoms_sites: ["Ba", "ZnT1o", "PT1m", "PT2o", "ZnT2m", "O1o", "O1m", "O2o", "O2m", "O3o", "O3m", "O4", "O5"]
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pub_title:
 Synthesis and rietveld refinement of new phosphate and arsenate analogues of
 paracelsian
 Sample: Ba(ZnPO4)2

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formula: Ba Zn2 As2 O8
compound: <missing>
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pub_title:
 Synthesis and rietveld refinement of new phosphate and arsenate analogues of
 paracelsian
 Sample: Ba(ZnAsO4)2

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compound: <missing>
formula_title: Sr(ZnAsO4)2
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pub_title:
 Synthesis and rietveld refinement of new phosphate and arsenate analogues of
 paracelsian
 Sample: Sr(ZnAsO4)2

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formula: Sr S O4
compound: <missing>
pub_title: Rigid-body character of the SO4 groups in celestine, anglesite and barite
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formula: Pb S O4
compound: <missing>
pub_title: Rigid-body character of the SO4 groups in celestine, anglesite and barite
formula_title: <missing>
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formula: Ba S O4
compound: <missing>
pub_title: Rigid-body character of the SO4 groups in celestine, anglesite and barite
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formula: U6 K2.04 O28.84 H19.68
compound: <missing>
pub_title: The structure of compreignacite, K2((UO2)3O2(OH)3)2(H2O)7
formula_title: <missing>
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compound: <missing>
pub_title: The structure of boltwoodite and implications of solid solution toward sodium boltwoodite
formula_title: <missing>
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compound: <missing>
formula_title: <missing>
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alpha: 90
beta: 90
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cell_volume: 2967.452
crystal_density: 4.865
pub_title:
 The crystal structure of blatterite, Sb3(Mn,Fe)9(Mn,Mg)35(BO3)16O32,
 and structural hierarchy in Mn-bearing zigzag borates

atoms_sites:
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formula: (Mg1.56 Fe1.44) B7 O13 Cl
compound: <missing>
formula_title: <missing>
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alpha: 90
beta: 90
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pub_title:
 The crystal structure of trembathite, (Mg1.55Fe1.43Mn0.02)B7O13Cl, a mineral of
 the boracite group: An example of the insertion of a cluster into a three-dimensional net

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formula: Mg Sn H6 O6
compound: a 1375 BC shipwreck
formula_title: <missing>
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b: 7.7449
c: 7.7449
alpha: 90
beta: 90
gamma: 90
cell_volume: 464.566
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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,
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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
atoms_sites: ["Mn", "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,
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formula: Ca Sn H6 O6
compound: a 1375 BC shipwreck
formula_title: <missing>
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c: 8.1221
alpha: 90
beta: 90
gamma: 90
cell_volume: 535.803
crystal_density: 3.233
atoms_sites: ["Ca", "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: (Si7.44 Al.56) Mg5.06 Na1.8 Ca1.68 O22 F2
compound: <missing>
formula_title: <missing>
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pub_title:
 Synthetic fluoro-amphiboles: site preferences of Al, Ga, Sc and inductive
 effects on mean bond-lengths of octahedra
 Sample: A1

atoms_sites:
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compound: <missing>
formula_title: <missing>
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pub_title:
 Synthetic fluoro-amphiboles: site preferences of Al, Ga, Sc and inductive
 effects on mean bond-lengths of octahedra
 Sample: A2, Sc-substituted

atoms_sites:
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formula_title: <missing>
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pub_title:
 Synthetic fluoro-amphiboles: site preferences of Al, Ga, Sc and inductive
 effects on mean bond-lengths of octahedra
 Sample: A3, Ga-substituted

atoms_sites:
["SiT1", "AlT1", "GaT1", "SiT2", "AlT2", "GaT2", "MgM1", "AlM1", "GaM1", "MgM2", "AlM2", "GaM2", "MgM3", "AlM3", "GaM3", "NaM4", "CaM4", "MgM4", "NaA", "NaAm", "NaA2", "O1", "O2", "F3", "O4", "O5", "O6", "O7"]

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formula: Si6 Al1.89 Ga1.01 Mg4.1 Ca2.21 Na1.62 O22 F2
compound: <missing>
formula_title: <missing>
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b: 17.934
c: 5.301
alpha: 90
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gamma: 90
cell_volume: 903.146
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pub_title:
 Synthetic fluoro-amphiboles: site preferences of Al, Ga, Sc and inductive
 effects on mean bond-lengths of octahedra
 Sample: A4

atoms_sites:
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 Intermediate scapolite: 29Si MAS and 26Al SATRAS NMR spectroscopy and Rietveld
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 Intermediate scapolite: 29Si MAS and 26Al SATRAS NMR spectroscopy and Rietveld
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 Intermediate scapolite: 29Si MAS and 26Al SATRAS NMR spectroscopy and Rietveld
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 Refinement of the crystal structure of tienshanite: short-range-order
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pub_title:
 The crystal structure of vuonnemite, Na11TiNb2(Si2O7)2(PO4)2O3(F,OH),
 a phosphate-bearing sorosilicate of the lomonosovite group

atoms_sites:
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formula_title: <missing>
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pub_title:
 The crystal structure of vuonnemite, Na11TiNb2(Si2O7)2(PO4)2O3(F,OH),
 a phosphate-bearing sorosilicate of the lomonosovite group

atoms_sites:
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compound: <missing>
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compound: <missing>
pub_title: Effect of temperature on the structures of lizardite-1T and lizardite-2H1 Sample: T = 360 C
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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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alpha: 90
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compound: <missing>
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compound: <missing>
pub_title: Effect of temperature on the structures of lizardite-1T and lizardite-2H1 Sample: T = 475 C
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formula: Mg48 Si34 (O147 H62)
compound: <missing>
pub_title: TEM and XRD study of antigorite superstructures
formula_title: <missing>
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formula: Pb4 As4 Zn2.2 Fe4.8 O26 H10
compound: <missing>
formula_title: <missing>
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b: 9.542
c: 10.219
alpha: 109.81
beta: 90.57
gamma: 97.71
cell_volume: 506.653
crystal_density: 6.445
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pub_title:
 Local Pb-_ disorder in the crystal structure of jamesite,
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formula_title: <missing>
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pub_title:
 The crystal structure of betpakdalite, and a new chemical formula:
 {Mg(H2O)6}Ca2(H2O)13[Mo8As2Fe3O36(OH)](H2O)4

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formula: As2 Ca2 Al2 Na.68 F4 (O11 H5)
compound: La Esperanza mine, Mexico
formula_title: <missing>
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b: 10.7379
c: 5.5523
alpha: 90
beta: 105.32
gamma: 90
cell_volume: 557.017
crystal_density: 3.319
atoms_sites: ["As1", "As2", "Ca", "Al", "Na", "F1", "F2", "O-H", "Wat", "O1", "O2", "O3", "O4", "O5", "O6"]
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pub_title:
 Esperanzaite, NaCa2Al2(AsO4)2F4(OH).2H2O, a new mineral species from
 the La Esperanza mine, Mexico: Descriptive mineralogy and atomic arrangement

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formula: Ca Na2 Cu2 P4 O24 H20
compound: <missing>
formula_title: <missing>
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beta: 90
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pub_title:
 The crystal structure of wooldridgeite, Na2CaCu2(P2O7)2(H2O)10,
 a novel copper pyrophosphate mineral

atoms_sites:
["Ca", "Na", "Cu", "P1", "P2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "Wat1", "Wat2", "Wat3", "Wat4", "Wat5"]

atoms_aniso_label:
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formula: (Na10 Ca5) P5 O20 F5
compound: <missing>
formula_title: <missing>
a: 7.0179
b: 7.0179
c: 40.56
alpha: 90
beta: 90
gamma: 120
cell_volume: 1729.987
crystal_density: 2.880
atoms_aniso_label: "<missing>"
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pub_title:
 Modular approach in solving the crystal structure of a synthetic dimorph of
 nacaphite, Na2Ca[PO4]F, from powder-diffraction data

atoms_sites:
["Na1", "Ca1", "Na2", "Ca2", "Na3", "Ca3", "Na4", "Ca4", "Na5", "Ca5", "P1", "P2", "P3", "P4", "P5", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "F1", "F2", "F3", "F4", "F5"]

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formula: Hg3 Cr S2 O4
compound: <missing>
pub_title: The structure of edoylerite determined from a microcrystal
formula_title: <missing>
a: 7.5283
b: 14.8325
c: 7.4629
alpha: 90
beta: 118.746
gamma: 90
cell_volume: 730.634
crystal_density: 7.108
atoms_sites: ["Hg1", "Hg2", "Hg3", "Cr", "S1", "S2", "O1", "O2", "O3", "O4"]
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formula: Hg3 Cl O
compound: <missing>
formula_title: <missing>
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alpha: 90
beta: 110.82
gamma: 90
cell_volume: 2699.547
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pub_title:
 New data on the mercury oxide-chloride mineral poyarkovite: The second
 find, and crystal-structure determination

atoms_sites:
["Hg1", "Hg2", "Hg3", "Hg4", "Hg5", "Hg6", "Hg7", "Hg8", "Hg9", "Cl1", "Cl2", "Cl3", "O1", "O2", "O3"]

atoms_aniso_label:
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formula: (K.92 Na.08) (Mg1.62 Fe1.23 Ti.09 Mn.06) (Si2.98 Al1.02) O11.06 (F.94 H1.06)
compound: Silver Crater mine, Ontario, Canada
formula_title: <missing>
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b: 9.2417
c: 10.182
alpha: 90
beta: 100.26
gamma: 90
cell_volume: 493.954
crystal_density: 3.097
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pub_title:
 The crystal structures of near-end-member phlogopite at high temperatures
 and heat-treated Fe-rich phlogopite: The influence of the O, OH, F site
 Note: untreated, room temperature, Fe-rich phlogopite

atoms_sites:
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atoms_aniso_label:
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formula: K.92 Na.04 Mg1.56 Fe1.17 Ti.144 Mn.06 Si2.972 Al1.004 O11.06 (F.94 H1.06)
compound: Silver Crater mine, Ontario, Canada
formula_title: <missing>
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c: 10.093
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beta: 100.07
gamma: 90
cell_volume: 484.667
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pub_title:
 The crystal structures of near-end-member phlogopite at high temperatures
 and heat-treated Fe-rich phlogopite: The influence of the O,OH,F site
 Sample: heat-treated at 904 degrees C for 24 hours, Fe-rich phlogopite

atoms_sites:
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compound: White Well, Australia
formula_title: <missing>
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pub_title:
 The crystal structures of near-end-member phlogopite at high temperatures
 and heat-treated Fe-rich phlogopite: The influence of the O, OH, F site
 Sample: T = 20 deg C

qdat:
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compound: White Well, Australia
formula_title: <missing>
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alpha: 90
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gamma: 90
cell_volume: 496.037
crystal_density: 2.781
atoms_sites: ["K", "Na", "Mg1", "Al1", "Fe1", "Mg2", "Al2", "Fe2", "Si", "Al", "O1", "O2", "O3", "O-H4", "F4"]
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pub_title:
 The crystal structures of near-end-member phlogopite at high temperatures
 and heat-treated Fe-rich phlogopite: The influence of the O, OH, F site
 Sample: T = 300 deg C

qdat:
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cell_volume: 500.161
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pub_title:
 The crystal structures of near-end-member phlogopite at high temperatures
 and heat-treated Fe-rich phlogopite: The influence of the O, OH, F site
 Sample: T = 450 deg C

qdat:
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formula: K.82 Na.115 Mg2.28 Al1.711 Fe.12 Si2.784 O11.932 (F.068 H1.932)
compound: White Well, Australia
formula_title: <missing>
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cell_volume: 503.362
crystal_density: 2.740
atoms_sites: ["K", "Na", "Mg1", "Al1", "Fe1", "Mg2", "Al2", "Fe2", "Si", "Al", "O1", "O2", "O3", "O-H4", "F4"]
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pub_title:
 The crystal structures of near-end-member phlogopite at high temperatures
 and heat-treated Fe-rich phlogopite: The influence of the O, OH, F site
 Sample: T = 600 deg C

qdat:
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formula: Te6 (Cu2.79 Sb.21) (Pb2.7 Ca.3) O18 Cl.92
compound: <missing>
pub_title: The crystal structure of choloalite
formula_title: <missing>
a: 12.520
b: 12.520
c: 12.520
alpha: 90
beta: 90
gamma: 90
cell_volume: 1962.515
crystal_density: 6.297
atoms_sites: ["Te", "Cu", "Sb", "Pb1", "Ca1", "Pb2", "Ca2", "O1", "O2", "O3", "Cl"]
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formula: Ca10 Mg1.67 Fe.89 Al4.36 Ti.08 Si9 O38.28 F.72 H5
compound: <missing>
pub_title: Hydrogen-atom positions in P4/nnc vesuvianite
formula_title: <missing>
a: 15.533
b: 15.533
c: 11.785
alpha: 90
beta: 90
gamma: 90
cell_volume: 2843.415
crystal_density: 3.496
atoms_sites:
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formula: (Mn1.46 Zr.28 Y.22 Mg.04) Na1.22 K1.36 Si12 (Li1.53 Zn1.14 Fe.33) O30
compound: <missing>
formula_title: <missing>
a: 10.262
b: 10.262
c: 14.307
alpha: 90
beta: 90
gamma: 120
cell_volume: 1304.798
crystal_density: 2.871
atoms_sites: ["MnA", "ZrA", "YA", "MgA", "NaB", "KB", "KC", "SiT1", "LiT2", "ZnT2", "FeT2", "O1", "O2", "O3"]
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pub_title:
 The crystal structure of darapiosite and a comparison
 with Li- and Zn-bearing minerals of the milarite group

qdat:
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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
alpha: 90
beta: 90
gamma: 90
cell_volume: 1060.250
crystal_density: 9.541
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atoms_aniso_label: ["Hg1", "Hg2", "Hg3", "Hg4", "Hg5", "Cl1", "Cl2", "O1", "O2"]
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atoms_aniso_u22: 0MkBAJBAAgDwmgEAgK8CAGDLAQAgbgMAUJgDAEBFAgDQXwIA
atoms_aniso_u33: gOcBAKDqAQAwHgIAUGwCAMCiAQCAzgEAYJkBAOC/BQCQTAAA
atoms_aniso_u12: sNL//6B5//8AAAAAAAAAAJAaAAAQWQAAAAAAAAAAAABwFwAA
atoms_aniso_u13: MHv///B0//+wBAAAUPv//+Dj//8AAAAAwPn///Dx//8wEQAA
atoms_aniso_u23: AAAAAGDw//8AAAAAAAAAAKD2//8AAAAAAAAAAAAAAADwCgAA
qdat:
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formula: Na14.19 Ca5.58 Sr.12 K.3 Ce.234 La.096 Mn1.38 Fe1.77 Si25.68 Nb.318 Zr3 O76.256 Cl.684 H1.356
compound: Mont Saint-Hilaire, Rouville County, Quebec, Canada
formula_title: <missing>
a: 14.2646
b: 14.2646
c: 30.186
alpha: 90
beta: 90
gamma: 120
cell_volume: 5319.311
crystal_density: 2.869
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:
 The crystal chemistry of the eudialyte group
 Sample: #1
 Note: additional sites with low but unreported occupancies excluded

atoms_sites:
["Na1a", "Na1b", "Na4", "CaNa4", "SrNa4", "KNa4", "CeNa4", "LaNa4", "Na5", "CaM1", "MnM1", "CeM1", "LaM1", "FeM24", "MnM24", "MnM25", "SiM3", "NbM3", "SiM3a", "NbM3a", "Si7", "NbSi7", "Zr", "Si1", "Si3", "Si5", "O1", "O2", "O3", "O7", "O8", "O9", "O13", "O14", "O15", "O19", "O19a", "O20", "ClX1a", "O-HX1a", "ClX1b", "O-HX1b", "ClX1c", "O-HX1c", "ClX1d", "O-HX1d", "ClX1e", "O-HX1e", "ClX1f", "O-HX1f"]

atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

atoms_u_iso:

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compound: Mont Saint-Hilaire, Rouville County, Quebec, Canada
pub_title: The crystal chemistry of the eudialyte group Sample: #2
formula_title: <missing>
a: 14.2277
b: 14.2277
c: 29.987
alpha: 90
beta: 90
gamma: 120
cell_volume: 5256.940
crystal_density: 3.044
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
formula:
Ca4.68 Mn1.86 Y.18 Ce.45 La.33 Fe2.28 Nb.62 Ta.04 Ti.06 Si25.12 Na13.02 Nd.12 K.3 Sr.12 Zr3 O78.494 Cl.764 H1.244

atoms_sites:
["CaM1", "MnM1", "YM1", "CeM1", "LaM1", "MnM25", "FeM25", "FeM24", "NbM3", "TaM3", "TiM3", "NbM3a", "TaM3a", "TiM3a", "SiM3b", "Si7", "Si7a", "Na1a", "Na1b", "Na2", "Na3a", "CeNa3a", "LaNa3a", "NdNa3a", "Na3b", "CeNa3b", "LaNa3b", "NdNa3b", "Na4", "CeNa4", "LaNa4", "NdNa4", "KNa4", "CaNa4", "SrNa4", "Na5", "Zr", "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", "ClX1a", "O-HX1a", "ClX1b", "O-HX1b", "ClX1c", "O-HX1c", "ClX1d", "O-HX1d", "ClX2a", "O-HX2a", "ClX2b", "O-HX2b", "ClX2c", "O-HX2c", "ClX2d", "O-HX2d"]

atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

atoms_u_iso:

qdat:
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