# cif

formula: Nb2 Ca2 O6 F
compound: <missing>
pub_title: La composition chimique et la structure cristalline du pyrochlore d'Oka, P.Q. Sample: No. 5
formula_title: <missing>
a: 10.4205
b: 10.4205
c: 10.4205
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beta: 90
gamma: 90
cell_volume: 1131.529
crystal_density: 4.473
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formula: (Ag.865 Sb.134 Hg.001)
compound: Hi-Ho mine, Cobalt, Ontario, Canada
pub_title: Allargentum, redefined
formula_title: <missing>
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b: 2.952
c: 4.773
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beta: 90
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formula: Ca2 Al1.91 Mg.05 Fe.02 Si1.02 O7
compound: Crestmore, California, USA
pub_title: Refinement of the crystal structure of a natural gehlenite, Ca2Al(Al,Si)2O7
formula_title: <missing>
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b: 7.716
c: 5.089
alpha: 90
beta: 90
gamma: 90
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crystal_density: 3.011
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formula: Mg7.23 Fe1.51 Ti.26 Si4 O17.6 F.4 H1.08
compound: <missing>
pub_title: The crystal structure of a titaniferous clinohumite
formula_title: <missing>
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formula: Pd Te Bi.88 Sb.11
compound: <missing>
pub_title: The crystal structure of michenerite, PdBiTe
formula_title: <missing>
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b: 6.642
c: 6.642
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beta: 90
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cell_volume: 293.020
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formula: Ag (Fe4.8 Ni3.2) S8
compound: <missing>
formula_title: <missing>
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b: 10.521
c: 10.521
alpha: 90
beta: 90
gamma: 90
cell_volume: 1164.585
crystal_density: 4.678
atoms_sites: ["Ag1", "Fe2", "Ni2", "S1", "S2"]
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pub_title:
 The crystal structure of argentian pentlandite (Fe,Ni)8AgS8, compared with
 the refined structure of pentlandite (Fe,Ni)9S8

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formula: (Fe4.23 Ni4.77) S8
compound: <missing>
formula_title: <missing>
a: 10.044
b: 10.044
c: 10.044
alpha: 90
beta: 90
gamma: 90
cell_volume: 1013.258
crystal_density: 5.065
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pub_title:
 The crystal structure of argentian pentlandite (Fe,Ni)8AgS8, compared with
 the refined structure of pentlandite (Fe,Ni)9S8

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formula: Ni S
compound: <missing>
pub_title: Crystal structure refinement of millerite (B-NiS)
formula_title: <missing>
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b: 9.6071
c: 3.1434
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formula: Ni S
compound: <missing>
pub_title: The crystal structure of millerite
formula_title: <missing>
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b: 9.6190
c: 3.1499
alpha: 90
beta: 90
gamma: 120
cell_volume: 252.399
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formula: Bi1.3 Sb.7 Ni9 S8
compound: Westphalia
pub_title: The crystal structure of antimonian hauchecornite from Westphalia
formula_title: <missing>
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b: 7.300
c: 5.402
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formula: Si9 Ca9.46 Fe1.098 Al5.5 O37.44 (F1.56 H2.44)
compound: <missing>
pub_title: The crystal structures of three Canadian vesuvianites Sample: #1 Great Slave Lake
formula_title: <missing>
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b: 15.516
c: 11.769
alpha: 90
beta: 90
gamma: 90
cell_volume: 2833.343
crystal_density: 3.453
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formula: Si9 Ca9.052 Na.54 Fe1.459 Al4.972 O39 H4
compound: <missing>
pub_title: The crystal structures of three Canadian vesuvianites Sample: #2 Bancroft
formula_title: <missing>
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b: 15.558
c: 11.810
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gamma: 90
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pub_title: Platinum-iron alloys: a nomenclature based on a study of natural and synthetic alloys
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formula: (Sr2.79 Ca.21) Zr Na2 C6 O21 H6
compound: St. Michel, Montreal Island, Quebec, Canada
pub_title: The crystal structure of triclinic weloganite Note: y-coordinate of Sr2 changed.
formula_title: <missing>
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formula: Ca S O4
compound: Leopoldshall, East Germany
pub_title: Anhydrous sulphates. II. Refinement of the crystal structure of anhydrite
formula_title: <missing>
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formula: Al Na3 F6
compound: <missing>
pub_title: Refinement of the crystal structure of cryolite
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formula: Ca Te C O5
compound: <missing>
pub_title: The crystal structure of mroseite, CaTeO2(CO3)
formula_title: <missing>
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formula: (Zr1.86 Nb.08 Ti.06) Si10 Ca.83 Fe.08 Zn.02 Cu.01 Mg.04 Na K O32 H12
compound: <missing>
formula_title: <missing>
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cell_volume: 2980.880
crystal_density: 2.424
atoms_u_iso: 0
pub_title:
 Structure cristalline de la lemoynite, (Na,K)2CaZr2Si10O26,5-6H2O
 Note: x-coordinate of Na1 changed.

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formula: Sb Ag3
compound: <missing>
formula_title: <missing>
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b: 4.828
c: 5.214
alpha: 90
beta: 90
gamma: 90
cell_volume: 75.721
crystal_density: 9.766
atoms_sites: ["Sb", "Ag1", "Ag2", "Ag3"]
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pub_title:
 Refinement of the crystal structure of dyscrasite, and its implications
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formula: Zn2 As O5 H
compound: <missing>
pub_title: A refinement of the crystal structure of adamite
formula_title: <missing>
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formula: Bi11.3 Pb.7 Cu.7 (S14.94 Se3.06)
compound: <missing>
formula_title: <missing>
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b: 33.744
c: 4.016
alpha: 90
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gamma: 90
cell_volume: 1554.638
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pub_title:
 Pekoite, CuPbBi11S18, a new member of the bismuthinite-alkinite mineral series:
 its crystal structure and relationship with naturally- and synthetically-formed members
 Note: x-coordinate of S18 changed in order to generate reported bond lengths.

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compound: <missing>
formula_title: <missing>
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b: 18.048
c: 5.285
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beta: 104.79
gamma: 90
cell_volume: 909.600
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pub_title:
 The crystal chemistry of the amphiboles: IV. X-ray and neutron refinements
 of the crystal structure of tremolite
 Sample: X-ray data

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formula_title: <missing>
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pub_title:
 The crystal chemistry of the amphiboles: IV. X-ray and neutron refinements
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 Sample: Neutron data

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compound: <missing>
pub_title: The crystal chemistry of the amphiboles: V. The structure and chemistry of arfvedsonite
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compound: <missing>
pub_title: Crystal structure of miserite, a Zoltai Type 5 structure
formula_title: <missing>
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compound: <missing>
pub_title: The crystal structure of mawsonite, Cu6Fe2SnS8
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compound: <missing>
pub_title: The ordering scheme for metal atoms in the crystal structure of hammarite, Cu2Pb2Bi4S9
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formula: (Mn.97 Ti.02 Fe.01) (Ta1.28 Nb.72) O6
compound: Bernic lake, Manitoba, Canada
formula_title: <missing>
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b: 5.760
c: 5.084
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pub_title:
 The crystal structures of tantalite, ixiolite and wodginite
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pub_title:
 The crystal structures of tantalite, ixiolite and wodginite
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pub_title:
 The crystal structures of tantalite, ixiolite and wodginite
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formula: Co As S
compound: <missing>
pub_title: The crystal structure of alloclasite, CoAsS, and the alloclasite-cobaltite transformation
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compound: <missing>
pub_title: The crystal structure of roselite
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formula: (Si5.04 Al3.96) (Mg1.36 Fe.64) O18
compound: from a burning coal seam in the Bokaro coalfield, India
pub_title: The polymorphism of cordierite: II. The crystal structure of indialite
formula_title: <missing>
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b: 9.800
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beta: 90
gamma: 120
cell_volume: 777.252
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formula: Si2 Sc Li O6
compound: <missing>
pub_title: Refinement of the crystal structure of LiScSi2O6 and structural variations in alkali pyroxenes
formula_title: LiScSi2O6
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formula: Si7.872 Al.088 Fe.5 Mg3.7 Zn.749 Mn1.599 Ca.28 Na.21 O24 H2
compound: <missing>
formula_title: <missing>
a: 9.606
b: 18.126
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pub_title:
 The crystal structure and site-chemistry of a zincian tirodite
 by least-squares refinement of X-ray and mossbauer data

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formula: Si Mg O3
compound: <missing>
formula_title: <missing>
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beta: 90
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pub_title:
 Synthesis and crystal-structure refinement of transition-metal
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pub_title:
 Synthesis and crystal-structure refinement of transition-metal
 orthopyroxenes I: Orthoenstatite and (Mg, Mn, Co) orthopyroxene

atoms_sites:
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formula: Bi3 Ag S5
compound: <missing>
formula_title: <missing>
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b: 4.042
c: 16.417
alpha: 90
beta: 94.02
gamma: 90
cell_volume: 880.714
crystal_density: 6.751
atoms_sites: ["Bi1", "Bi2", "Bi3", "Ag1", "Ag2", "S1", "S2", "S3", "S4", "S5"]
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pub_title:
 The crystal structure of synthetic pavonite, AgBi3S5, and
 the definition of the pavonite homologous series

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formula: Si5.958 Be2.613 Li.436 Al2 O18.66 Na.313 K.033 Rb.006 Ca.003 Cs.134 H1.32
compound: <missing>
pub_title: The alkali-metal positions in Cs-Li beryl
formula_title: <missing>
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b: 9.212
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beta: 90
gamma: 120
cell_volume: 678.770
crystal_density: 2.812
atoms_sites: ["Si", "Be", "Li", "Al", "O1", "O2", "Na", "K", "Rb", "Ca", "Li", "Cs", "Wat"]
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formula: Na (Fe.9 Mn.06 Mg.03 Ca.01) P O4
compound: <missing>
pub_title: The crystal structure of the new mineral maricite, NaFePO4
formula_title: <missing>
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beta: 90
gamma: 90
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formula: Ba S O4
compound: <missing>
pub_title: A further refinement of the barite structure
formula_title: <missing>
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b: 5.4559
c: 7.1569
alpha: 90
beta: 90
gamma: 90
cell_volume: 346.904
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formula: Bi7 Pb3 Cu3 S15
compound: <missing>
formula_title: <missing>
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b: 11.5695
c: 4.001
alpha: 90
beta: 90
gamma: 90
cell_volume: 2597.539
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pub_title:
 Lindstromite, Cu3Pb3Bi7S15: Its space group and ordering scheme
 for metal atoms in the crystal structure

atoms_sites:
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formula: Si6.2 Al1.84 Fe3.736 Mg.885 Ti.186 Mn.185 Ca1.178 Na1.582 K.494 O24 H2
compound: <missing>
formula_title: <missing>
a: 9.923
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alpha: 90
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gamma: 90
cell_volume: 930.936
crystal_density: 3.432
pub_title:
 The crystal chemistry of the amphiboles. VII. Crystal structure
 and site chemistry of potassian ferri-taramite

atoms_sites:
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pub_title: The crystal structure of landauite, Na[MnZn2(Ti,Fe)6Ti12]O38
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compound: <missing>
pub_title: Refinement of the crystal structure of hydroboracite
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formula: Y2.5 Ca1.5 Si4 O23 C3 H7.5
compound: <missing>
pub_title: Caysichite: A double crankshaft chain structure
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formula: Cu2 Sn (Zn.71 Fe.28 Cd.01) S4
compound: <missing>
formula_title: <missing>
a: 5.427
b: 5.427
c: 10.871
alpha: 90
beta: 90
gamma: 90
cell_volume: 320.176
crystal_density: 4.535
atoms_sites: ["Cu", "Sn", "Cu", "Zn", "Fe", "Cd", "S"]
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atoms_aniso_label: ["Cu", "Sn", "Cu", "Zn", "Fe", "Cd", "S"]
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pub_title:
 Kesterite, Cu2(Zn,Fe)SnS4, and stannite, Cu2(Fe,Zn)SnS4,
 structurally similar but distinct minerals

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compound: <missing>
formula_title: <missing>
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b: 5.449
c: 10.757
alpha: 90
beta: 90
gamma: 90
cell_volume: 319.393
crystal_density: 4.500
atoms_sites: ["Fe", "Zn", "Cd", "Sn", "Cu", "S"]
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pub_title:
 Kesterite, Cu2(Zn,Fe)SnS4, and stannite, Cu2(Fe,Zn)SnS4,
 structurally similar but distinct minerals

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formula: (Cd.37 Zn.33 Fe.29 Mn.01) Sn Cu2 S4
compound: <missing>
formula_title: <missing>
a: 5.487
b: 5.487
c: 10.848
alpha: 90
beta: 90
gamma: 90
cell_volume: 326.603
crystal_density: 4.616
atoms_sites: ["Cd", "Zn", "Fe", "Mn", "Sn", "Cu", "S"]
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pub_title:
 The crystal structure of cernyite, Cu2CdSnS4, a cadmium analogue of stannite
 Note: z-coordinate for S atom changed in order to reproduce bond lengths.

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formula: Cu2 P O5 H
compound: <missing>
pub_title: A crystal-structure refinement of libethenite
formula_title: <missing>
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c: 5.881
alpha: 90
beta: 90
gamma: 90
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formula: Na2.024 K.29 Ca.014 Li.344 Mn.182 Fe4.36 Al.354 Si7.76 O22.892 F1.253 H.892
compound: Pikes Peak, Colorado, USA
formula_title: <missing>
a: 9.811
b: 18.013
c: 5.326
alpha: 90
beta: 103.68
gamma: 90
cell_volume: 914.539
crystal_density: 3.387
pub_title:
 The crystal chemistry of the amphiboles.
 VIII. The crystal structure and site chemistry of fluor-riebeckite

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

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formula: Mn10.446 Mg11.384 Fe1.76 B8 O40
compound: <missing>
formula_title: <missing>
a: 18.357
b: 12.591
c: 6.068
alpha: 90
beta: 90
gamma: 90
cell_volume: 1402.515
crystal_density: 3.967
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pub_title:
 Orthopinakiolite, Me2.95O2[BO3]: its crystal structure
 and relationship to pinakiolite, Me2.90O2[BO3]
 Note: z-coordinate of O9 changed. y-coordinate of M7* changed.

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pub_title:
 The crystal chemistry of the amphiboles. X. Refinement of the crystal
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pub_title: Sulfate disorder in scapolite
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 Polyhedral thermal expansion in the TiO2 polymorphs: Refinement
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 Polyhedral thermal expansion in the TiO2 polymorphs: Refinement
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 Polyhedral thermal expansion in the TiO2 polymorphs: Refinement
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 Polyhedral thermal expansion in the TiO2 polymorphs: Refinement
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 Polyhedral thermal expansion in the TiO2 polymorphs: Refinement
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 Polyhedral thermal expansion in the TiO2 polymorphs: Refinement
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 Polyhedral thermal expansion in the TiO2 polymorphs: Refinement
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 Polyhedral thermal expansion in the TiO2 polymorphs: Refinement
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atoms_sites:
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atoms_aniso_label:
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formula: Cu11.4 S12.77 Sb4
compound: <missing>
formula_title: <missing>
a: 10.323
b: 10.323
c: 10.323
alpha: 90
beta: 90
gamma: 90
cell_volume: 1100.064
crystal_density: 4.893
atoms_sites: ["Cu1", "Cu2", "S1", "S2", "Sb"]
atoms_x: QEIPAEBODQCA+wYAAAAAADBgEAA=
atoms_y: gIQeAAAAAACA+wYAAAAAADBgEAA=
atoms_z: AAAAAAAAAACwLxYAAAAAADBgEAA=
atoms_occupancy: gO42AAAJPQDAbDwAQFI2AAAJPQA=
atoms_u_iso: gAACALDmBADYJgEAmJ0BACARAQA=
atoms_aniso_label: ["Cu1", "Cu2", "S1", "S2", "Sb"]
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atoms_aniso_u23: AAAAALAc/P/gEAAAAAAAALDm//8=
pub_title:
 Studies of the sulfosalts of copper
 VII. Crystal structures of the exolution products Cu12.3Sb4S13
 and Cu13.8Sb4S13 of unsubstituted synthetic tetrahedrite
 Sample: Cu-poor tetrahedrite Cu12.3Sb4S13

qdat:
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formula: Cu10.02 S12.88 Sb4
compound: <missing>
formula_title: <missing>
a: 10.448
b: 10.448
c: 10.448
alpha: 90
beta: 90
gamma: 90
cell_volume: 1140.511
crystal_density: 4.475
atoms_sites: ["Cu1", "Cu2", "S1", "S2", "Sb"]
atoms_x: QEIPAFAqDQCQ8AYAAAAAAPBAEAA=
atoms_y: gIQeAAAAAACQ8AYAAAAAAPBAEAA=
atoms_z: AAAAAAAAAABQDRYAAAAAAPBAEAA=
atoms_occupancy: wOQoAAAJPQDAbDwAAAk9AAAJPQA=
atoms_u_iso: gKEBAGAEBQB4SgEAcKcBAGivAQA=
atoms_aniso_label: ["Cu1", "Cu2", "S1", "S2", "Sb"]
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atoms_aniso_u23: AAAAAEhjBAAgzP//AAAAAACh//8=
pub_title:
 Studies of the sulfosalts of copper
 VII. Crystal structures of the exolution products Cu12.3Sb4S13
 and Cu13.8Sb4S13 of unsubstituted synthetic tetrahedrite
 Sample: Cu-rich tetrahedrite Cu13.8Sb4S13

qdat:
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formula: Pb5.33 Bi8.34 Ag.33 S15.03 Se2.97
compound: Falun, Sweden
formula_title: <missing>
a: 53.68
b: 4.11
c: 15.40
alpha: 90
beta: 90
gamma: 90
cell_volume: 3397.622
crystal_density: 7.036
atoms_u_iso: 0
pub_title:
 Weibullite Ag0.32Pb5.09Bi8.55Se6.08S11.92 from Falun, Sweden:
 A higher homologue of galenobismutite

atoms_sites:
["PbMe1", "BiMe2", "BiMe3", "PbMe4", "BiMe5", "BiMe6", "BiMe7", "BiMe8", "PbMe9", "PbMe10", "PbMe11", "BiMe11", "AgMe11", "BiMe12", "PbMe13", "BiMe14", "S1", "S2", "S3", "S4", "Se4", "S5", "Se5", "S6", "Se6", "S7", "Se7", "S8", "Se8", "S9", "Se9", "S10", "Se10", "S11", "Se11", "S12", "S13", "S14", "Se14", "S15", "S16", "S17", "S18"]

atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

atoms_aniso_label:
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atoms_aniso_u11:

atoms_aniso_u22:

atoms_aniso_u33:

atoms_aniso_u12:

atoms_aniso_u13:

atoms_aniso_u23:

qdat:
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formula: Ca2 Na.076 K1.06 O30.68 Si12 (Be2.115 Al.885) H1.36
compound: Kings Mt., North Carolina, USA
pub_title: Crystal chemistry of milarite Note: sample Kings Mt.(31)
formula_title: <missing>
a: 10.420
b: 10.420
c: 13.810
alpha: 90
beta: 90
gamma: 120
cell_volume: 1298.553
crystal_density: 2.546
atoms_sites: ["CaA", "NaB", "KB", "WatB", "KC", "SiT1", "BeT2", "AlT2", "O1", "O2", "O3"]
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atoms_occupancy: AAk9AMBRAgDA1AEAgMAUAAAJPQAACT0AoAcrAGABEgAACT0AAAk9AAAJPQA=
atoms_u_iso: 8HcBAPh5AQD4eQEA+HkBANAkAQCgggAAOEUAADhFAADoIAEASEkAACCyAAA=
atoms_aniso_label: ["CaA", "KC", "SiT1", "BeT2", "AlT2", "O1", "O2", "O3"]
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qdat:
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formula: Ca4 Na.24 K1.184 O30.92 Si12 (Be2.55 Al.45) H1.84
compound: Vezna west, Czechoslovakia
pub_title: Crystal chemistry of milarite Note: sample Vezna(29a), radial fibrous
formula_title: <missing>
a: 10.428
b: 10.428
c: 13.675
alpha: 90
beta: 90
gamma: 120
cell_volume: 1287.834
crystal_density: 2.787
atoms_sites: ["CaA", "NaB", "KB", "WatB", "KC", "SiT1", "BeT2", "AlT2", "O1", "O2", "O3"]
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atoms_aniso_label: ["CaA", "KC", "SiT1", "BeT2", "AlT2", "O1", "O2", "O3"]
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atoms_aniso_u13: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACKj//wAAAAA=
atoms_aniso_u23: AAAAAAAAAAB47P//AAAAAAAAAAAAAAAAuLH///DY//8=
qdat:
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formula: Ca4 Na.24 K1.184 O30.68 Si12 (Be2.55 Al.45) H1.36
compound: Vezna west, Czechoslovakia
pub_title: Crystal chemistry of milarite Note: sample Vezna(29b), radial fibrous
formula_title: <missing>
a: 10.417
b: 10.417
c: 13.688
alpha: 90
beta: 90
gamma: 120
cell_volume: 1286.340
crystal_density: 2.779
atoms_sites: ["CaA", "NaB", "KB", "WatB", "KC", "SiT1", "BeT2", "AlT2", "O1", "O2", "O3"]
atoms_x: VVgUAFVYFABVWBQAVVgUAAAAAACg2AQAAAAAAAAAAACAtgUAQKULAADvBgA=
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atoms_u_iso: MAEBADABAQAwAQEAMAEBAPB3AQD4xQAAsO4BALDuAQCIAgIAQGQBADABAQA=
atoms_aniso_label: ["CaA", "KC", "SiT1", "BeT2", "AlT2", "O1", "O2", "O3"]
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atoms_aniso_u13: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGM///yj2//8=
atoms_aniso_u23: AAAAAAAAAADw2P//AAAAAAAAAAAAAAAACKj//5C7//8=
qdat:
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formula: Sb2 V O5
compound: <missing>
pub_title: A redetermination of the structure of Sb2VO5, stibivanite, a new mineral
formula_title: <missing>
a: 17.989
b: 4.7924
c: 5.500
alpha: 90
beta: 95.15
gamma: 90
cell_volume: 472.244
crystal_density: 5.267
atoms_sites: ["Sb", "V", "O1", "O2", "O3"]
atoms_x: sNcJAAAAAAAAAAAAUGAEAOCVDAA=
atoms_y: YPYrAMitFgDAgwIAwD8eAOBHGQA=
atoms_z: oD0JAEBCDwBAQg8AwFcBAIBvFQA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: ["Sb", "V", "O1", "O2", "O3"]
atoms_aniso_u11: 8LkAAPCgAABwCwIAsJoAAOCrAAA=
atoms_aniso_u22: UA4BAPBoAQAwVgEAUEABAGCAAQA=
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atoms_aniso_u13: UMn//yDR//9gIgAAcMz//9AHAAA=
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qdat:
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formula: Fe2.06 Ti.73 Mn.02 V.01 Ca.01 Si.01 Al.06 Mg.1 O4
compound: Aiyansh basalt lava flow, Nass River valley, British Columbia, Canada
pub_title: Crystal structure of two ferrian ulvospinels from British Columbia Note: sample NR5
formula_title: <missing>
a: 8.481
b: 8.481
c: 8.481
alpha: 90
beta: 90
gamma: 90
cell_volume: 610.016
crystal_density: 4.798
atoms_sites: ["FeT", "TiT", "FeO", "MnO", "VO", "TiO", "CaO", "SiO", "AlO", "MgO", "O"]
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atoms_u_iso: QKYAAECmAAC4fgAAuH4AALh+AAC4fgAAuH4AALh+AAC4fgAAuH4AAMjNAAA=
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
qdat:
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formula: Fe2.1 Mn.02 V.01 Ti.74 Ca.01 Si.01 Al.05 Mg.06 O4
compound: Itcha Mountain hawaiite lava flow, central British Columbia, Canada
pub_title: Crystal structure of two ferrian ulvospinels from British Columbia Note: sample IM7
formula_title: <missing>
a: 8.504
b: 8.504
c: 8.504
alpha: 90
beta: 90
gamma: 90
cell_volume: 614.992
crystal_density: 4.791
atoms_sites: ["FeT", "FeO", "MnO", "VO", "TiO", "CaO", "SiO", "AlO", "MgO", "O"]
atoms_x: IKEHAICEHgCAhB4AgIQeAICEHgCAhB4AgIQeAICEHgCAhB4AsNYPAA==
atoms_y: IKEHAICEHgCAhB4AgIQeAICEHgCAhB4AgIQeAICEHgCAhB4AsNYPAA==
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atoms_occupancy: AAk9AMCRIQBAnAAAIE4AAECVFgAgTgAAIE4AAKCGAQDA1AEAAAk9AA==
atoms_u_iso: CLYAAEieAABIngAASJ4AAEieAABIngAASJ4AAEieAABIngAAcOkAAA==
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
qdat:
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formula: Bi7.92 Pb2.08 Cu S10.8 Se3.2
compound: Falun, Sweden
formula_title: <missing>
a: 17.97
b: 4.11
c: 17.62
alpha: 90
beta: 94.3
gamma: 90
cell_volume: 1297.692
crystal_density: 7.034
atoms_u_iso: 0
pub_title:
 The crystal structure of nordstromite CuPb3Bi7(S,Se)14, from Falun,
 Sweden: A member of the junoite homologous series

atoms_sites:
["BiMe1", "PbMe1", "PbMe2", "BiMe3", "BiMe4", "BiMe5", "BiMe6", "PbMe6", "BiMe7", "BiMe8", "PbMe8", "BiMe9", "PbMe9", "BiMe10", "Cu1", "S1", "S2", "S3", "S4", "Se4", "S5", "S6", "Se6", "S7", "S8", "S9", "Se9", "S10", "S11", "S12", "Se12", "S13", "S13", "S14"]

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atoms_y:
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atoms_z:
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atoms_occupancy:
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atoms_aniso_label:
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atoms_aniso_u22:
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qdat:
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formula: Na4.8 Ca.2 Zr2 Si6 O20.37 Cl.75 H4.37
compound: <missing>
pub_title: Petarasite, Na5Zr2Si6O18(Cl,OH).2H2O, a zeolite-type zirconosilicate
formula_title: <missing>
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formula: Hg4.224 Cu.864 Zn.528 Tl.304 Fe.03 Cs.595 (As3.932 Sb.068) S12
compound: Getchell mine, Humboldt County, Nevada, USA
pub_title: The structure and chemistry of galkhaite, a mercury sulfosalt containing Cs and Tl
formula_title: <missing>
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formula: Pd3 Sn
compound: <missing>
pub_title: Phases and phase relations in the system Pd-Pt-Sn Note: sample is synthetic
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formula: (Th.95 U.05) (Ca1.92 Fe.06 Mn.02) Si8 O20
compound: <missing>
formula_title: <missing>
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pub_title:
 A mineralogical study and crystal-structure determination of
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 Note: Changed O2-x coordinate to match reported bond lengths

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formula_title: <missing>
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pub_title:
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 Note: Si-y coordinate changed to match reported bond lengths

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pub_title: The crystal structure of hydrodresserite BaAl2(CO3)2(OH)4.3H2O
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compound: <missing>
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formula: U Ti2 O6
compound: <missing>
formula_title: <missing>
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b: 3.7697
c: 6.9253
alpha: 90
beta: 118.957
gamma: 90
cell_volume: 224.138
crystal_density: 6.368
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pub_title:
 A crystal structure refinement of synthetic brannerite UTi2O6 and its bearing
 on rate of alkaline-carbonate leaching of brannerite in ore

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formula: Mn4.48 Fe3.7 Si5.82 O23.35 Cl1.65 H8.35
compound: <missing>
formula_title: <missing>
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b: 13.391
c: 7.139
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pub_title:
 The pyrosmalite group of minerals I. Structure refinement of
 Manganpyrosmalite
 Sample 1: Iron-rich manganpyrosmalite, Kyurazawa mine, Japan

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pub_title:
 The pyrosmalite group of minerals I. Structure refinement of
 Manganpyrosmalite
 Note: sample 2
 Note: z-coordinate for AlM4 changed

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formula: Na3.76 Fe.04 Al3 Si3 O12 Cl
compound: Mont St-Hilaire, Quebec, Canada
pub_title: The structure of hackmanite, a variety of sodalite, from Mont St-Hilaire, Quebec
formula_title: <missing>
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compound: <missing>
pub_title: The crystal structure of jarlite
formula_title: <missing>
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b: 10.821
c: 7.241
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cell_volume: 1222.468
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formula: Al Ca Na F6 O H2
compound: <missing>
pub_title: The crystal structure of pachnolite
formula_title: <missing>
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c: 15.680
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formula: Sr2 Al C F5 O3
compound: <missing>
pub_title: The crystal structure of stenonite and the classification of the aluminofluoride minerals
formula_title: <missing>
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b: 8.704
c: 13.150
alpha: 90
beta: 98.72
gamma: 90
cell_volume: 616.583
crystal_density: 3.848
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formula: O14.67 Si3 Al3 S.24 Na3.25 K.51 Ca.06
compound: <missing>
pub_title: The character of the cancrinite-vishnevite solid-solution series
formula_title: <missing>
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b: 12.685
c: 5.179
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beta: 90
gamma: 120
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formula: Se3 Fe2 O15 H11
compound: <missing>
pub_title: The crystal structure of mandarinoite, Fe2Se3O9.6H2O
formula_title: <missing>
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b: 7.880
c: 10.019
alpha: 90
beta: 98.26
gamma: 90
cell_volume: 1313.377
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formula: W O4 H2
compound: <missing>
pub_title: The crystal structure of tungstite, WO3.H2O
formula_title: <missing>
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c: 5.133
alpha: 90
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gamma: 90
cell_volume: 288.588
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formula: Na K Zr Si3 O11 H4
compound: <missing>
pub_title: The crystal structure of georgechaoite NaKZrSi3O9.2H2O
formula_title: <missing>
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b: 12.940
c: 6.735
alpha: 90
beta: 90
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cell_volume: 1031.518
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formula: Na2 Zr Si3 O11 H4
compound: Mont St. Hilaire, Quebec, Canada
pub_title: The crystal structure of gaidonnayite Na2ZrSi3O9.2H2O
formula_title: <missing>
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b: 12.820
c: 6.691
alpha: 90
beta: 90
gamma: 90
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pub_title:
 Refinement of the crystal structure of bloedite: Structural similarities
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pub_title: Schneiderhohnite, (Fe2+)(Fe3+)3As5O13, a densely packed arsenite structure
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pub_title:
 The crystal structure of mannardite, a new hydrated cryptomelane-group
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pub_title: The crystal structure of paderaite, a mineral of the cuprobismutite series.
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compound: <missing>
pub_title: The crystal structure of bobfergusonite.
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compound: <missing>
pub_title: Re-evaluation of ordering and local charge-balance in Ia chlorite
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formula: (Y.9 Sm.1) B C O7 H4
compound: <missing>
pub_title: The crystal structure of moydite
formula_title: <missing>
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formula: Ca (Ni.67 Zn.22 Co.04 Mg.06 Cu.01) As O5 H
compound: <missing>
formula_title: <missing>
a: 7.455
b: 8.955
c: 5.916
alpha: 90
beta: 90
gamma: 90
cell_volume: 394.949
crystal_density: 4.274
atoms_sites: ["Ca", "Ni", "Zn", "Co", "Mg", "Cu", "As", "O1", "O2", "O3", "O4", "O5", "H"]
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pub_title:
 La nickelaustinite Ca(Ni,Zn)(AsO4)(OH): Nouvelle espece minerale du
 district cobalto-nickelifere de Bou-Azzer, Maroc
 Note: signs changed on y-coordinates of O1 and O2

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formula: (K.95 Na.05) Al Si3 O8
compound: <missing>
formula_title: <missing>
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pub_title:
 A re-examination of the Pellotsalo microcline: Mineralogical implications and
 genetic considerations

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formula: K Na2 B3 Si12 O30
compound: Mont Saint-Hilaire, Quebec, Canada
formula_title: <missing>
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b: 10.253
c: 13.503
alpha: 90
beta: 90
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pub_title:
 Poudretteite, KNa2B3Si12O30, a new member of the osumilite group from
 Mont Saint-Hilaire, Quebec, and its crystal structure

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formula: Ca2 Zn P3 Be O16 H9
compound: <missing>
pub_title: The crystal structure of ehrleite, a tetrahedral sheet structure
formula_title: <missing>
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b: 7.430
c: 12.479
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beta: 102.1
gamma: 82.7
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formula: Sn Nb2 O6
compound: <missing>
pub_title: The crystal structure of foordite
formula_title: <missing>
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formula: Pb1.002 (As1.07 S.93) (Fe2.541 Al.459) O14
compound: <missing>
pub_title: The crystal structure of beudantite, Pb(Fe,Al)3((As,S)O4)2(OH)6
formula_title: <missing>
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c: 17.0355
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formula: Hg2 Te O3
compound: Mount Lion Mine, Colorado, USA
pub_title: The crystal structure of magnolite, Hg2TeO3
formula_title: <missing>
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b: 10.576
c: 3.749
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beta: 90
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formula: Ni18 Bi3 As S16
compound: Vermilion mine, Sudbury District, Ontario, Canada
pub_title: The crystal structure of arsenohauchecornite
formula_title: <missing>
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b: 10.2711
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alpha: 90
beta: 90
gamma: 90
cell_volume: 1140.090
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formula: Al3 Si3 O14.44 Na4.04 S.49 H.96
compound: <missing>
formula_title: <missing>
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b: 9.084
c: 9.084
alpha: 90
beta: 90
gamma: 90
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crystal_density: 2.241
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pub_title:
 The structure of nosean, ideally Na8(Al6Si6O24)SO4.H2O
 Note: O2 z-coordinate has been corrected according to the ICSD

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formula: V3 O11.5 Ca.5
compound: Colorado Plateau, USA
pub_title: The crystal structure of hewettite Note: sample Weeks number W-220-54
formula_title: <missing>
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b: 3.590
c: 11.174
alpha: 90
beta: 97.24
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pub_title: Refinement of the crystal structure of leucophanite
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pub_title: Feruvite, a new member of the tourmaline group, and its crystal structure
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formula: Cu3 S O8 H4
compound: Torre Capdulla, Lerida, Italy
pub_title: Antlerite, Cu3SO4(OH)4, a heteropolyhedral wallpaper structure
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formula: Sb.47 As1.474 Fe4 Ti5.58 Al.32 V2.1 O24
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pub_title:
 Hemloite (As,Sb)2(Ti,V,Fe,Al)12O23OH: A new mineral from the Hemlo gold
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formula: Fe4.8 Mn1.2 P4 O27 H17
compound: Mangualde, Portugal
pub_title: Manganese-bearing beraunite from Mangualde, Portugal: mineral data and structure refinement
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compound: <missing>
pub_title: Gittinsite: A modification of the thortveitite structure
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compound: <missing>
formula_title: <missing>
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b: 8.9235
c: 5.2524
alpha: 90
beta: 105.939
gamma: 90
cell_volume: 439.276
crystal_density: 3.248
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pub_title:
 Evaluation of the Rietveld method for the characterization of fine-grained
 products of the mineral synthesis: the diopside-hedenbergite join
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formula: Pb5 As3 O12 Cl
compound: Johanngeorgenstat, Erzgebirge, Sachsen, Germany
formula_title: <missing>
a: 10.1891
b: 20.3723
c: 7.4564
alpha: 90
beta: 90
gamma: 119.8827
cell_volume: 1341.985
crystal_density: 7.366
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pub_title:
 The crystal structures of mimetite and clinomimetite, Pb5(AsO4)3Cl
 Note: previously known as clinomimetite, now considered a polytype, mimetite-M

atoms_sites:
["Pb1A", "Pb1B", "Pb2A", "Pb2B", "Pb2C", "AsA", "AsB", "AsC", "O1A", "O1B", "O1C", "O2A", "O2B", "O2C", "O3A", "O3B", "O3C", "O3D", "O3E", "O3F", "Cl"]

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formula: O14.35 Si3 Al3 Na4
compound: <missing>
pub_title: The crystal structure of basic cancrinite, ideally Na8[Al6Si6O24](OH)2.3H2O
formula_title: <missing>
a: 12.664
b: 12.664
c: 5.159
alpha: 90
beta: 90
gamma: 120
cell_volume: 716.536
crystal_density: 2.256
atoms_sites: ["O1", "O2", "O3", "O4", "Si", "Al", "O51", "O52", "O5", "O6", "Na1", "Na2"]
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qdat:
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formula: Pb3.37 Bi3.32 Ag1.31 S9
compound: La Roche Balue, west of Nantes, France
pub_title: The crystal structure of Ag-Bi-bearing heyrovskyite
formula_title: <missing>
a: 4.11
b: 13.60
c: 30.485
alpha: 90
beta: 90
gamma: 90
cell_volume: 1703.990
crystal_density: 7.102
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atoms_y: wJUYAICEHgCAhB4AwPANAMDwDQCQjQoAkI0KAAC8GwCQpAIAgGsFAPCqDwAQ+hMAYOkVAA==
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atoms_aniso_label: ["PbMe1", "PbMe2", "BiMe2", "PbMe3", "BiMe3", "AgMe4", "BiMe4", "BiMe5"]
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atoms_sites:
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formula: K (Si3 Al) O8
compound: Buck Claim Pegmatite, Bernic Lake, Manitoba, Canada
formula_title: <missing>
a: 8.603
b: 13.036
c: 7.174
alpha: 90
beta: 116.03
gamma: 90
cell_volume: 722.944
crystal_density: 2.557
atoms_sites: ["K", "SiT1", "AlT1", "SiT2", "AlT2", "OA1", "OA2", "OB", "OC", "OD"]
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atoms_u_iso: 0
atoms_aniso_label: ["K", "SiT1", "AlT1", "SiT2", "AlT2", "OA1", "OA2", "OB", "OC", "OD"]
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atoms_aniso_u23: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAALAEAADg4///UBQAAA==
pub_title:
 Structure refinement of an adularian end-member high sanidine from the
 Buck Claim Pegmatite, Bernic Lake, Manitoba
 Sample: I
 Note: variety adularia

qdat:
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formula: K (Si3 Al) O8
compound: Buck Claim Pegmatite, Bernic Lake, Manitoba, Canada
formula_title: <missing>
a: 8.608
b: 13.041
c: 7.180
alpha: 90
beta: 115.98
gamma: 90
cell_volume: 724.556
crystal_density: 2.552
atoms_sites: ["K", "SiT1", "AlT1", "SiT2", "AlT2", "OA1", "OA2", "OB", "OC", "OD"]
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atoms_u_iso: 0
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pub_title:
 Structure refinement of an adularian end-member high sanidine from the
 Buck Claim Pegmatite, Bernic Lake, Manitoba
 Sample: II
 Note: variety adularia

qdat:
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formula: K (Si3 Al) O8
compound: Buck Claim Pegmatite, Bernic Lake, Manitoba, Canada
formula_title: <missing>
a: 8.611
b: 13.046
c: 7.175
alpha: 90
beta: 116.01
gamma: 90
cell_volume: 724.396
crystal_density: 2.552
atoms_sites: ["K", "SiT1", "AlT1", "SiT2", "AlT2", "OA1", "OA2", "OB", "OC", "OD"]
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pub_title:
 Structure refinement of an adularian end-member high sanidine from the
 Buck Claim Pegmatite, Bernic Lake, Manitoba
 Sample: III
 Note: variety adularia

qdat:
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formula: K (Si3 Al) O8
compound: Buck Claim Pegmatite, Bernic Lake, Manitoba, Canada
formula_title: <missing>
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b: 13.017
c: 7.185
alpha: 90
beta: 115.97
gamma: 90
cell_volume: 723.619
crystal_density: 2.555
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pub_title:
 Structure refinement of an adularian end-member high sanidine from the
 Buck Claim Pegmatite, Bernic Lake, Manitoba
 Sample: IV
 Note: variety adularia

qdat:
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formula: Na Li2 P O4
compound: <missing>
pub_title: The crystal structure of nalipoite
formula_title: <missing>
a: 6.884
b: 9.976
c: 4.927
alpha: 90
beta: 90
gamma: 90
cell_volume: 338.361
crystal_density: 2.588
atoms_sites: ["Na", "Li", "P", "O1", "O2", "O3"]
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formula: Bi2 Cu3 P2 O14 H6
compound: <missing>
pub_title: Mrazekite, Bi2Cu3(OH)2O2(PO4)2.2H2O, a new mineral species and its crystal structure
formula_title: <missing>
a: 12.359
b: 6.331
c: 9.060
alpha: 90
beta: 122.71
gamma: 90
cell_volume: 596.479
crystal_density: 5.014
atoms_sites: ["Bi", "Cu1", "Cu2", "P", "O1", "O-H2", "O3", "O4", "O5", "Wat6"]
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formula: Li.09 Mn.68 Fe.4 Sn.47 Nb.35 Ta1.94 Zr.07 O8
compound: <missing>
pub_title: The wodginite group. I. Structural crystallography Sample: CX-1, partially ordered
formula_title: <missing>
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b: 11.465
c: 5.139
alpha: 90
beta: 90.51
gamma: 90
cell_volume: 559.705
crystal_density: 7.524
atoms_u_iso: 0
atoms_sites:
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formula: Li.01 Mn.54 Fe.57 Sn.45 Ti.2 Nb.38 Ta1.85 O8
compound: <missing>
pub_title: The wodginite group. I. Structural crystallography Sample: A-17, ferroan
formula_title: <missing>
a: 9.460
b: 11.421
c: 5.119
alpha: 90
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pub_title: The crystal structure of dietzeite, Ca2H20(IO3)2(CrO4), a heteropolyhedral framework mineral
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pub_title: Edge-sharing MnO4 tetrahedra in the structure of akatoreite, Mn9Al2Si8O24(OH)8
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formula: Ca (Mn.94 Al.06) Si O5
compound: Cerchiara Mine, Northern Apennines, Italy
pub_title: Mozartite, CaMn(OH)SiO4, a new mineral species from the Cerchiara Mine, Northern Apennines, Italy
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compound: Black Mountains, New Hampshire, USA
formula_title: <missing>
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gamma: 90
cell_volume: 738.025
crystal_density: 3.714
pub_title:
 The crystal chemistry of staurolite. I. Crystal structure and site populations
 Sample Code: 71-62R/1

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compound: Black Mountains, New Hampshire, USA
formula_title: <missing>
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cell_volume: 738.086
crystal_density: 3.713
pub_title:
 The crystal chemistry of staurolite. I. Crystal structure and site populations
 Sample Code: 71-62R/6

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compound: Black Mountains, New Hampshire, USA
formula_title: <missing>
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cell_volume: 738.128
crystal_density: 3.725
pub_title:
 The crystal chemistry of staurolite. I. Crystal structure and site populations
 Sample Code: 71-62R/5

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compound: Emery Hill, New York, USA
formula_title: <missing>
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cell_volume: 741.479
crystal_density: 3.739
pub_title:
 The crystal chemistry of staurolite. I. Crystal structure and site populations
 Sample Code: EH-6/6

atoms_sites:
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atoms_aniso_label:
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formula: O12 Si1.92 Al4.365 Fe.765 Zn.015 Mg.425
compound: Emery Hill, New York, USA
formula_title: <missing>
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gamma: 90
cell_volume: 741.695
crystal_density: 3.741
pub_title:
 The crystal chemistry of staurolite. I. Crystal structure and site populations
 Sample Code: EH-6/4

atoms_sites:
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formula: O12 Si1.93 Al4.35 Fe.745 Zn.015 Mg.42
compound: Emery Hill, New York, USA
formula_title: <missing>
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gamma: 90
cell_volume: 741.713
crystal_density: 3.729
pub_title:
 The crystal chemistry of staurolite. I. Crystal structure and site populations
 Sample Code: EH-6/2

atoms_sites:
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formula: O12 Si1.92 Al4.467 Fe.882 Li.02 Mg.213
compound: West Sidney, Maine, USA
pub_title: The crystal chemistry of staurolite. I. Crystal structure and site populations Sample Code: 3-3/1
formula_title: <missing>
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gamma: 90
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formula: O12 Si1.91 Al4.493 Fe.872 Zn.01 Li.04 Mg.173
compound: West Sidney, Maine, USA
pub_title: The crystal chemistry of staurolite. I. Crystal structure and site populations Sample Code: 3-3/2
formula_title: <missing>
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gamma: 90
cell_volume: 741.217
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formula_title: <missing>
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gamma: 90
cell_volume: 740.034
crystal_density: 3.764
pub_title:
 The crystal chemistry of staurolite. I. Crystal structure and site populations
 Sample Code: 106038/1

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compound: Franklin, North Carolina, USA
formula_title: <missing>
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alpha: 90
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gamma: 90
cell_volume: 739.958
crystal_density: 3.772
pub_title:
 The crystal chemistry of staurolite. I. Crystal structure and site populations
 Sample Code: 106038/3

atoms_sites:
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formula: O12 Si1.86 Al4.529 Fe.654 Zn.162 Mg.273
compound: Stratford, North Carolina, USA
formula_title: <missing>
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cell_volume: 739.542
crystal_density: 3.774
pub_title:
 The crystal chemistry of staurolite. I. Crystal structure and site populations
 Sample Code: 117189/6

atoms_sites:
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formula: O12 Si1.92 Al4.417 Fe.593 Zn.33 Li.015 Mg.195
compound: Stratford, North Carolina, USA
formula_title: <missing>
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alpha: 90
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gamma: 90
cell_volume: 739.391
crystal_density: 3.815
pub_title:
 The crystal chemistry of staurolite. I. Crystal structure and site populations
 Sample Code: 117189/7

atoms_sites:
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formula: O12 Si1.92 Al4.415 Fe.582 Zn.35 Li.015 Mg.195
compound: Stratford, North Carolina, USA
formula_title: <missing>
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alpha: 90
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gamma: 90
cell_volume: 739.593
crystal_density: 3.820
pub_title:
 The crystal chemistry of staurolite. I. Crystal structure and site populations
 Sample Code: 117189/21

atoms_sites:
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compound: Stratford, North Carolina, USA
formula_title: <missing>
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alpha: 90
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gamma: 90
cell_volume: 739.546
crystal_density: 3.827
pub_title:
 The crystal chemistry of staurolite. I. Crystal structure and site populations
 Sample Code: 117189/1

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formula: O12 Si1.946 Al4.491 Fe.71 Li.255 Mg.082
compound: East Winthrop, Maine, USA
pub_title: The crystal chemistry of staurolite. I. Crystal structure and site populations Sample Code: 6-3/1
formula_title: <missing>
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gamma: 90
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formula: O12 Si1.92 Al4.44 Fe.74 Mg.348
compound: Fiordland, New Zealand
formula_title: <missing>
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alpha: 90
beta: 90.122
gamma: 90
cell_volume: 739.443
crystal_density: 3.732
pub_title:
 The crystal chemistry of staurolite. I. Crystal structure and site populations
 Sample Code: WARD/7

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atoms_aniso_label:
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formula: O12 Si1.86 Al4.512 Fe.898 Li.02 Mg.169 H.75
compound: <missing>
pub_title: The crystal chemistry of staurolite. I. Crystal structure and site populations Sample Code: MOT/2
formula_title: <missing>
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c: 5.6582
alpha: 90
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gamma: 90
cell_volume: 739.833
crystal_density: 3.781
atoms_sites:
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formula: O12 Si1.88 Al4.488 Fe.812 Mg.25 Li.02 Zn.015 H.75
compound: Pizzo Forno, Switzerland
formula_title: <missing>
a: 7.8682
b: 16.61499
c: 5.6553
alpha: 90
beta: 90.024
gamma: 90
cell_volume: 739.318
crystal_density: 3.766
pub_title:
 The crystal chemistry of staurolite. I. Crystal structure and site populations
 Sample Code: MUS/6-1

atoms_sites:
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formula: O12 Si1.88 Al4.487 Fe.812 Mg.25 Li.02 Zn.015 H.75
compound: Pizzo Forno, Switzerland
formula_title: <missing>
a: 7.8660
b: 16.61378
c: 5.6552
alpha: 90
beta: 90.057
gamma: 90
cell_volume: 739.044
crystal_density: 3.768
pub_title:
 The crystal chemistry of staurolite. I. Crystal structure and site populations
 Sample Code: MUS-AR/3

atoms_sites:
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formula: O12 Si1.89 Al4.478 Fe.829 Mg.267 Li.025 Zn.03
compound: Pizzo Forno, Switzerland
pub_title: The crystal chemistry of staurolite. I. Crystal structure and site populations Sample Code: HP1/2
formula_title: <missing>
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formula: O12 Si1.89 Al4.478 Fe.819 Mg.268 Li.025 Zn.03 H.75
compound: Pizzo Forno, Switzerland
pub_title: The crystal chemistry of staurolite. I. Crystal structure and site populations Sample Code: MUS/3
formula_title: <missing>
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formula: O12 Si1.87 Al4.51 Fe.838 Mg.204 Li.025 Zn.02 H.75
compound: Brazil
formula_title: <missing>
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b: 16.6216
c: 5.6569
alpha: 90
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gamma: 90
cell_volume: 739.699
crystal_density: 3.773
pub_title:
 The crystal chemistry of staurolite. I. Crystal structure and site populations
 Sample Code: PIO/11

atoms_sites:
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formula: O12 Si1.87 Al4.495 Fe.859 Mg.221 Li.023 Zn.02 H.75
compound: Brazil
formula_title: <missing>
a: 7.8650
b: 16.60899
c: 5.6560
alpha: 90
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gamma: 90
cell_volume: 738.842
crystal_density: 3.788
atoms_aniso_label: ["O1", "O2", "O3", "O4", "O5", "O6", "O7", "Si1", "Al1", "Fe1", "Mg1", "Li1", "Zn1", "Al3"]
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pub_title:
 The crystal chemistry of staurolite. I. Crystal structure and site populations
 Sample Code: PIO/13

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compound: Antarctica
pub_title: The crystal chemistry of staurolite. I. Crystal structure and site populations Sample Code: DW7/4
formula_title: <missing>
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gamma: 90
cell_volume: 740.266
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compound: Antarctica
formula_title: <missing>
a: 7.8682
b: 16.6218
c: 5.6573
alpha: 90
beta: 90.104
gamma: 90
cell_volume: 739.881
crystal_density: 3.772
pub_title:
 The crystal chemistry of staurolite. I. Crystal structure and site populations
 Sample Code: DW7/8II

atoms_sites:
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formula: O12 Si1.88 Al4.48 Fe.9 Mg.18 Li.03 Zn.01
compound: Derivo, Italy
formula_title: <missing>
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b: 16.6218
c: 5.6573
alpha: 90
beta: 90.104
gamma: 90
cell_volume: 739.881
crystal_density: 3.781
pub_title:
 The crystal chemistry of staurolite. I. Crystal structure and site populations
 Sample Code: DER/10-2

atoms_sites:
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formula: O12 Si1.88 Al4.48 Fe.9 Mg.18 Li.03 Zn.01
compound: Derivo, Italy
pub_title: The crystal chemistry of staurolite. I. Crystal structure and site populations Sample Code: DER/2
formula_title: <missing>
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c: 5.6619
alpha: 90
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gamma: 90
cell_volume: 740.904
crystal_density: 3.776
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: O12 Si1.88 Al4.491 Fe.891 Mg.178 Li.028 Zn.008 H.75
compound: Derivo, Italy
pub_title: The crystal chemistry of staurolite. I. Crystal structure and site populations Sample Code: DER/1
formula_title: <missing>
a: 7.8710
b: 16.62399
c: 5.6605
alpha: 90
beta: 90.120
gamma: 90
cell_volume: 740.660
crystal_density: 3.780
atoms_sites:
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atoms_aniso_label:
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formula: O12 Si1.88 Al4.491 Fe.891 Mg.178 Li.028 Zn.008 H.75
compound: Derivo, Italy
formula_title: <missing>
a: 7.8687
b: 16.62219
c: 5.6604
alpha: 90
beta: 90.122
gamma: 90
cell_volume: 740.350
crystal_density: 3.782
pub_title:
 The crystal chemistry of staurolite. I. Crystal structure and site populations
 Sample Code: DER/10-4

atoms_sites:
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atoms_aniso_label:
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formula: O12 Si1.894 Al4.473 Fe.847 Mg.192 Li.028 Zn.023
compound: Derivo, Italy
formula_title: <missing>
a: 7.8695
b: 16.60759
c: 5.6558
alpha: 90
beta: 90.001
gamma: 90
cell_volume: 739.176
crystal_density: 3.770
pub_title:
 The crystal chemistry of staurolite. I. Crystal structure and site populations
 Sample Code: MAR/FP15

atoms_sites:
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atoms_z:
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atoms_aniso_label:
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formula: O12 Si1.894 Al4.472 Fe.847 Mg.192 Li.028 Zn.023 H.75
compound: Ticino River, Italy
pub_title: The crystal chemistry of staurolite. I. Crystal structure and site populations Sample Code: MAR/1
formula_title: <missing>
a: 7.8683
b: 16.61989
c: 5.6614
alpha: 90
beta: 90.050
gamma: 90
cell_volume: 740.343
crystal_density: 3.771
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: O12 Si1.894 Al4.473 Fe.847 Mg.192 Li.028 Zn.023 H.75
compound: Ticino River, Italy
formula_title: <missing>
a: 7.8666
b: 16.6198
c: 5.6581
alpha: 90
beta: 90.090
gamma: 90
cell_volume: 739.747
crystal_density: 3.774
pub_title:
 The crystal chemistry of staurolite. I. Crystal structure and site populations
 Sample Code: MAR/15

atoms_sites:
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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_u13:
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atoms_aniso_u23:
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qdat:
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formula: O12 Si1.894 Al4.473 Fe.847 Mg.192 Li.028 Zn.023 H.75
compound: Ticino River, Italy
formula_title: <missing>
a: 7.8663
b: 16.62479
c: 5.6601
alpha: 90
beta: 90.100
gamma: 90
cell_volume: 740.202
crystal_density: 3.772
pub_title:
 The crystal chemistry of staurolite. I. Crystal structure and site populations
 Sample Code: MAR/16

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_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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formula: O12 Si1.894 Al4.526 Fe.767 Mg.185 Li.035 Zn.025 H.75
compound: Ticino River, Italy
formula_title: <missing>
a: 7.8667
b: 16.6113
c: 5.6543
alpha: 90
beta: 90.159
gamma: 90
cell_volume: 738.879
crystal_density: 3.751
pub_title:
 The crystal chemistry of staurolite. I. Crystal structure and site populations
 Sample Code: MAR/5g

atoms_x:
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atoms_y:
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atoms_z:
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qdat:
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formula: O12 Si1.894 Al4.532 Fe.822 Mg.165 Zn.01 H.75
compound: Ticino River, Italy
pub_title: The crystal chemistry of staurolite. I. Crystal structure and site populations Sample Code: MAR/2
formula_title: <missing>
a: 7.8639
b: 16.6189
c: 5.6589
alpha: 90
beta: 90.169
gamma: 90
cell_volume: 739.555
crystal_density: 3.761
atoms_sites:
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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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formula: O12 Si1.894 Al4.532 Fe.821 Mg.165 Zn.01 H.75
compound: Ticino River, Italy
formula_title: <missing>
a: 7.8689
b: 16.6202
c: 5.6594
alpha: 90
beta: 90.173
gamma: 90
cell_volume: 740.148
crystal_density: 3.758
pub_title:
 The crystal chemistry of staurolite. I. Crystal structure and site populations
 Sample Code: MAR/6-1

atoms_sites:
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atoms_y:
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atoms_z:
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atoms_aniso_label:
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pub_title:
 The crystal chemistry of staurolite. I. Crystal structure and site populations
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pub_title:
 The crystal chemistry of staurolite. I. Crystal structure and site populations
 Sample Code: BARR888

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pub_title:
 Harrisonite, a well-ordered silico-phosphate with a layered crystal structure.
 Ca(Fe,Mg)6(SiO4)2(PO4)2

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pub_title:
 Determination of the megastructures of the borate polymorphs pringleite and
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pub_title: Determination of the megastructures of the borate polymorphs pringleite and ruitenbergite
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c: 4.926
alpha: 90
beta: 100.48
gamma: 90
cell_volume: 527.178
crystal_density: 3.881
atoms_aniso_u11: kH4AAOB5AADgeQAA4HkAAOBgAADgYAAAIGcAALBoAAAQiwAAUKoAADCnAABAzgAAQLUAAEDOAAAAfQAAUMMAAHCtAAA=
atoms_aniso_u22: oIwAAKBzAACgcwAAoHMAAHBiAABwYgAAcGIAACBnAABQwwAAIJkAAICJAAAggAAAUNwAALCzAACwswAAILIAAGCfAAA=
atoms_aniso_u33: MHUAAAB9AAAAfQAAAH0AAIBXAACAVwAA0FIAAIBXAABQXwAAIGcAACCZAAAgmQAAMFwAACCAAACQyQAAkEwAAHBiAAA=
atoms_aniso_u12: AAAAAJABAACQAQAAkAEAAMD5///A+f//AAAAAEAGAAAAAAAAAAAAADDG//9g8P//8PH//4Dz//9gOwAAAAAAABD1//8=
atoms_aniso_u13: MBEAAGAJAABgCQAAYAkAAEAGAABABgAA8AoAAGAJAAAQ9f//oCgAAOAuAADQIAAAIDUAAGDX///AEgAAkAEAAGAJAAA=
atoms_aniso_u23: AAAAAKD2//+g9v//oPb//wAAAAAAAAAAAAAAAGAJAAAAAAAAAAAAALDr//+AJQAA8PH//9Du///AKwAAAAAAAJDP//8=
pub_title:
 Refinement of the crystal structure of kulanite
 Note: occupancies of M1 and M2 have been switched, as noted by authors, 2006

atoms_sites:
["Ba", "FeM1", "MnM1", "MgM1", "AlM2", "FeM2", "P1", "P2", "H1", "H2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9"]

atoms_x:
GGIhADAEEgAwBBIAMAQSACCUBQAglAUA8IMJAAhNFAAgJAcAQBMCAFD5EAAQHg4AsKEDAHB0FgDQwA8AoNQNAJDpHABAiwcAkJ4DAA==

atoms_y:
wMYtAPhF+f/4Rfn/+EX5/zBxGAAwcRgAwMYtAKj2GgCA6g0AYI8kAMDGLQDAxi0A0GInAFD3IQAQmBsAIEEXAECVFgBAQg8AQAIiAA==

atoms_z:
cDotAMDEDADAxAwAwMQMAPDaBwDw2gcAwN4pAGABKwDApfT/QB4VAHDOOQDQZRoAkOYpALA5JQBAAjsAwK8cABAaMACwaAAAsKMLAA==

atoms_occupancy:
AAk9AMACJAAAcQIAwOsSAIBfOQCAqQMAAAk9AAAJPQCAhB4AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AA==

atoms_u_iso:
ABJ6AAASegAAEnoAABJ6AAASegAAEnoAABJ6AAASegBAnAAAQJwAAAASegAAEnoAABJ6AAASegAAEnoAABJ6AAASegAAEnoAABJ6AA==

atoms_aniso_label:
["Ba", "FeM1", "MnM1", "MgM1", "AlM2", "FeM2", "P1", "P2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9"]

qdat:
AAAAAAAAAAABAACAAIAAAiAKAQEDEIACABDVGQBEBAgWxkFKkatBhOgG6QqiCdK5Vc0ymL5GDsesqnrrn122nXHcz/v4Zetrz7vfneWs3//T+uxb7/tY/ve7p7/R+b/qPbtd/sfP70/fdiz1rl39X/g+63Q79F7nnbMq9V==


