# cif

formula: (Mg1.4 Sc.3) Li.3 Si2 O6
compound: <missing>
pub_title: The synthesis and crystal structure of a magnesium-lithium-scandium protopyroxene
formula_title: <missing>
a: 9.251
b: 8.773
c: 5.377
alpha: 90
beta: 90
gamma: 90
cell_volume: 436.392
crystal_density: 3.071
atoms_sites: ["Mg1", "Sc1", "Mg2", "Li2", "Si", "O1", "O2", "O3"]
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formula: Ca.72 La.33 U.05 Zr.58 Mg.92 Fe3.43 Cr2.238 V.21 Ti12.474 Al.384 O38
compound: <missing>
pub_title: The crystal structure of loveringite - a new member of the crichtonite group
formula_title: <missing>
a: 9.117
b: 9.117
c: 9.117
alpha: 69.07
beta: 69.07
gamma: 69.07
cell_volume: 637.788
crystal_density: 4.416
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atoms_sites:
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formula: Mn10.16 Al4.42 Fe.42 As3 O34 H23
compound: <missing>
pub_title: Hematolite: A complex dense-packed sheet structure
formula_title: <missing>
a: 8.275
b: 8.275
c: 36.600
alpha: 90
beta: 90
gamma: 120
cell_volume: 2170.439
crystal_density: 3.426
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atoms_sites:
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formula: Ca Na B5 O17 H16
compound: <missing>
formula_title: <missing>
a: 8.816
b: 12.870
c: 6.678
alpha: 90.36
beta: 109.05
gamma: 104.98
cell_volume: 688.445
crystal_density: 1.955
atoms_occupancy: 0
pub_title:
 Ulexite, NaCaB5O6(OH)6*5H2O: Structure refinement, polyanion
 configuration, hydrogen bonding, and fiber optics

atoms_sites:
["Ca", "Na", "B1", "B2", "B3", "B4", "B5", "O1", "O2", "O3", "O4", "O5", "O6", "O-h1", "O-h2", "O-h3", "O-h4", "O-h5", "O-h6", "OW1", "OW2", "OW3", "OW4", "OW5", "H1", "H2", "H3", "H4", "H5", "H6", "H7", "H8", "H9", "H10", "H11", "H12", "H13", "H14", "H15", "H16"]

atoms_x:

atoms_y:

atoms_z:

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formula: Cu I O4 H
compound: Synthetic
formula_title: <missing>
a: 10.784
b: 6.708
c: 4.781
alpha: 90
beta: 90
gamma: 90
cell_volume: 345.853
crystal_density: 4.906
atoms_sites: ["Cu", "I", "O1", "O2", "O-h", "H"]
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pub_title:
 Salesite, CuIO3(OH), and Cu(IO3)2*2H2O: A comparison of the crystal
 structures and their magnetic behavior

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formula: Cu I2 O8 H4
compound: Synthetic
formula_title: Cu(IO3)2*2H2O
a: 6.728
b: 4.813
c: 11.165
alpha: 90
beta: 103.34
gamma: 90
cell_volume: 351.788
crystal_density: 4.242
atoms_sites: ["Cu", "I", "O1", "O2", "O3", "O4", "H1", "H2"]
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pub_title:
 Salesite, CuIO3(OH), and Cu(IO3)2*2H2O: A comparison of the crystal
 structures and their magnetic behavior

qdat:
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formula: Cu4 O3
compound: <missing>
pub_title: The crystal structure of paramelaconite, Cu4O3
formula_title: <missing>
a: 5.837
b: 5.837
c: 9.932
alpha: 90
beta: 90
gamma: 90
cell_volume: 338.389
crystal_density: 5.931
atoms_sites: ["Cu1", "Cu2", "O1", "O2"]
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formula: Ca Al4 Si2 O12 H2
compound: <missing>
formula_title: <missing>
a: 5.104
b: 8.829
c: 19.148
alpha: 90
beta: 95.5
gamma: 90
cell_volume: 858.898
crystal_density: 3.079
atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
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pub_title:
 Refinement of the margarite structure in subgroup symmetry: correction,
 further refinement, and comments

atoms_sites:
["Ca", "Al1", "Al2", "Si1", "Al1", "Si2", "Al2", "Si11", "Al11", "Si22", "Al22", "O1", "O2", "O-H1", "O3", "O4", "O5", "O11", "O22", "O-H11", "O33", "O44", "O55"]

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formula: K Ca4 Si8 O29 H17
compound: <missing>
formula_title: <missing>
a: 8.979
b: 8.979
c: 15.830
alpha: 90
beta: 90
gamma: 90
cell_volume: 1276.253
crystal_density: 2.356
atoms_sites: ["K", "Ca", "Si", "O1", "O2", "O3", "O4", "O-H", "H1", "H2"]
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atoms_aniso_label: ["K", "Ca", "Si", "O1", "O2", "O3", "O4", "O-H"]
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pub_title:
 Hydroxyapophyllite, a new mineral, and a redefinition of the apophyllite group
 II. Crystal structure
 Note: sample is from Kimberley, South Africa

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formula: K Ca4 Si8 O29 H17
compound: Kimberley, South Africa
formula_title: <missing>
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b: 8.979
c: 15.830
alpha: 90
beta: 90
gamma: 90
cell_volume: 1276.253
crystal_density: 2.356
atoms_sites: ["K", "Ca", "Si", "O1", "O2", "O3", "O4", "O-H", "H1", "H2"]
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pub_title:
 Hydroxyapophyllite, a new mineral, and a redefinition of the apophyllite group
 II. Crystal structure

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formula: (Mn.64 Ca.36) Si O3
compound: <missing>
formula_title: <missing>
a: 9.807
b: 10.680
c: 7.091
alpha: 99.58
beta: 99.99
gamma: 83.79
cell_volume: 718.832
crystal_density: 3.484
atoms_aniso_label: "<missing>"
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pub_title:
 The role of octahedral cations in pyroxenoid crystal chemistry. I. Bustamite,
 wollastonite, and the pectolite-schizolite-serandite series
 sample Mn-BS, from Mitsuka, Gifu, Japan

atoms_sites:
["Mn1", "Ca1", "Mn2", "Ca2", "Mn3", "Ca3", "Ca4", "Mn4", "Si1", "Si2", "Si3", "Oa1", "Oa2", "Oa3", "Ob1", "Ob2", "Ob3", "Oc1", "Oc2", "Oc3"]

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pub_title:
 The role of octahedral cations in pyroxenoid crystal chemistry. I. Bustamite,
 wollastonite, and the pectolite-schizolite-serandite series
 sample BS, from Hijikuzu, Iwate, Japan

atoms_sites:
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compound: <missing>
formula_title: <missing>
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pub_title:
 The role of octahedral cations in pyroxenoid crystal chemistry. I. Bustamite,
 wollastonite, and the pectolite-schizolite-serandite series
 sample Ca-BS, from Hijikuzu, Iwate, Japan

atoms_sites:
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compound: <missing>
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pub_title:
 The role of octahedral cations in pyroxenoid crystal chemistry. I. Bustamite,
 wollastonite, and the pectolite-schizolite-serandite series
 sample Mn-WO, from Broken Hill, New South Wales, Australia

atoms_sites:
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formula: (Ca.957 Fe.043) Si O3
compound: <missing>
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pub_title:
 The role of octahedral cations in pyroxenoid crystal chemistry. I. Bustamite,
 wollastonite, and the pectolite-schizolite-serandite series
 sample Fe-WO, from Scawt Hill, Antrim County, Ireland

atoms_sites:
["Ca1", "Fe1", "Ca2", "Fe2", "Ca3", "Fe3", "Si1", "Si2", "Si3", "Oa1", "Oa2", "Oa3", "Ob1", "Ob2", "Ob3", "Oc1", "Oc2", "Oc3"]

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compound: <missing>
formula_title: <missing>
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pub_title:
 The role of octahedral cations in pyroxenoid crystal chemistry. I. Bustamite,
 wollastonite, and the pectolite-schizolite-serandite series
 sample SRN, from Rouma, Island of Los, Guinea

atoms_sites:
["Mn1", "Ca1", "Mn2", "Na3", "Si1", "Si2", "Si3", "Oa1", "Oa2", "Oa3", "Ob1", "Ob2", "Ob3", "Oc1", "Oc2", "Oc3"]

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formula: (Ca1.23 Mn.77) Na Si3 O9
compound: Kangerdluarsuk, Julianehaab, Greenland
formula_title: <missing>
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pub_title:
 The role of octahedral cations in pyroxenoid crystal chemistry. I. Bustamite,
 wollastonite, and the pectolite-schizolite-serandite series
 sample SCH, from Kangerdluarsuk, Julianehaab, Greenland

atoms_sites:
["Ca1", "Mn1", "Mn2", "Ca2", "Na3", "Si1", "Si2", "Si3", "Oa1", "Oa2", "Oa3", "Ob1", "Ob2", "Ob3", "Oc1", "Oc2", "Oc3"]

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formula: Sn S2
compound: <missing>
formula_title: <missing>
a: 3.638
b: 3.638
c: 5.880
alpha: 90
beta: 90
gamma: 120
cell_volume: 67.396
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pub_title:
 The crystal structures and compressibilities of layer minerals at high
 pressure.  I. SnS2, berndtite
 P = 1 atm

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formula: Sn S2
compound: <missing>
formula_title: <missing>
a: 3.616
b: 3.616
c: 5.680
alpha: 90
beta: 90
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cell_volume: 64.318
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pub_title:
 The crystal structures and compressibilities of layer minerals at high
 pressure.  I. SnS2, berndtite
 P = 12 kbar

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formula: Sn S2
compound: <missing>
formula_title: <missing>
a: 3.605
b: 3.605
c: 5.460
alpha: 90
beta: 90
gamma: 120
cell_volume: 61.452
crystal_density: 4.941
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pub_title:
 The crystal structures and compressibilities of layer minerals at high
 pressure.  I. SnS2, berndtite
 P = 30 kbar

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formula: (Si2.952 Al1.048) Mg3 K.76 Na.16 Ba.05 O10.7 (F1.3 H.7)
compound: <missing>
formula_title: <missing>
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b: 9.100
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atoms_sites: ["Si", "Al", "Mg1", "Mg2", "K", "Na", "Ba", "O1", "O2", "O3", "F", "O-H"]
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pub_title:
 The crystal structures and compressibilities of layer minerals at high
 pressure. II. Phlogopite and chlorite
 P = 35 kbar, sample is from Franklin, New Jersey, USA

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formula: Mg3 Al2 Si3 O12
compound: Synthetic
pub_title: Crystal structures and compressibilities of pyrope and grossular to 60 kbar P = 16 kbar
formula_title: <missing>
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formula: Mg3 Al2 Si3 O12
compound: Synthetic
pub_title: Crystal structures and compressibilities of pyrope and grossular to 60 kbar P = 31 kbar
formula_title: <missing>
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c: 11.377
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formula: Mg3 Al2 Si3 O12
compound: Synthetic
pub_title: Crystal structures and compressibilities of pyrope and grossular to 60 kbar P = 43 kbar
formula_title: <missing>
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formula: Mg3 Al2 Si3 O12
compound: Synthetic
pub_title: Crystal structures and compressibilities of pyrope and grossular to 60 kbar P = 56 kbar
formula_title: <missing>
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pub_title: Crystal structure refinement of lawsonite
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compound: Coolgardie, Australia
pub_title: The crystal structure of a 3T lepidolite
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formula: Na Cl
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 A revised method of operation of the single-crystal diamond cell and refinement
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 High-temperature structural study of six olivines
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pub_title:
 Guildite, a layer structure with a ferric hydroxy-sulphate chain and its optical
 absorption spectra
 Note: OW2 y-coordinate changed in order to reproduce OW2 bond lengths
 Note: O6 z-coordinated change from .433 to .0433 to ensure SO4 group

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pub_title:
 The crystal structure of synthetic calcium phosphate - sulfate hydrate,
 Ca2HPO4SO4.4H2O, and its relation to brushite and gypsum

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pub_title:
 Crystal structure of hydrochlorborite, Ca2[B3O3(OH)4.OB(OH)3]Cl.7H2O,
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pub_title: Carlfriesite: crystal structure, revision of chemical formula, and synthesis
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pub_title:
 New biopyriboles from Chester, Vermont: II. The crystal chemistry of
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pub_title:
 New biopyriboles from Chester, Vermont: II. The crystal chemistry of
 jimthompsonite, clinojimthompsonite, and chesterite, and the amphibole-mica
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pub_title:
 New biopyriboles from Chester, Vermont: II. The crystal chemistry of
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atoms_z:

atoms_occupancy:

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formula: Mn3.54 Mg.86 Ca.6 Si5 O15
compound: <missing>
pub_title: The crystal chemistry and petrogenesis of a magnesian rhodonite
formula_title: <missing>
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gamma: 82.49
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formula: Te Bi
compound: <missing>
pub_title: Tsumoite, BiTe, a new mineral from Tsumo mine, Japan
formula_title: <missing>
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b: 4.422
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alpha: 90
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gamma: 120
cell_volume: 407.271
crystal_density: 8.234
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formula: Zn1.1 Li.6 Si1.3 O4
compound: <missing>
pub_title: The crystal structures and the phase transformation of Zn-Li silicates T = room temperature
formula_title: Zn(Zn.1Li.6Si.3)SiO4-alpha
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b: 10.516
c: 5.011
alpha: 90
beta: 90.50
gamma: 90
cell_volume: 334.078
crystal_density: 3.511
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formula: Li1.2 Si1.6 Zn.2 O4
compound: <missing>
pub_title: The crystal structures and the phase transformation of Zn-Li silicates T = 450 C
formula_title: Zn(Zn.1Li.6Si.3)SiO4-beta
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b: 10.520
c: 5.043
alpha: 90
beta: 90
gamma: 90
cell_volume: 339.853
crystal_density: 2.547
atoms_sites: ["Li1", "Si1", "Zn1", "Si2", "O1", "O2", "O3"]
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formula: (Na.8 K.2) (Si3 Al) O8
compound: <missing>
formula_title: <missing>
a: 8.144
b: 12.989
c: 7.160
alpha: 92.10
beta: 116.56
gamma: 90.21
cell_volume: 676.846
crystal_density: 2.605
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pub_title:
 Crystal structures and compositions of sanidine and high albite in
 cryptoperthitic intergrowth
 Note this sample of feldspar is from the
 Rabb Canyon pegmatite, Grant County, New Mexico, USA

atoms_sites:
["Na", "K", "Si1o", "Al1o", "Si1m", "Al1m", "Si2o", "Al2o", "Si2m", "Al2m", "Oa1", "Oa2", "Obo", "Obm", "Oco", "Ocm", "Odo", "Odm"]

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formula: (K.65 Na.35) (Si3 Al) O8
compound: <missing>
formula_title: <missing>
a: 8.558
b: 12.997
c: 7.179
alpha: 90
beta: 116.07
gamma: 90
cell_volume: 717.266
crystal_density: 2.525
atoms_sites: ["K", "Na", "Si1", "Al1", "Si2", "Al2", "Oa1", "Oa2", "Ob", "Oc", "Od"]
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pub_title:
 Crystal structure and composition of sanidine and high albite in cryptoperthitic
 intergrowth
 Note this sample of feldspar is from the
 Rabb Canyon pegmatite, Grant County, New Mexico, USA

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formula: Ca2 Cl B5 O10 H2
compound: Choctow Salt Dome, Iberville Parish, Louisiana, USA
formula_title: <missing>
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b: 11.318
c: 6.318
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beta: 90.06
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pub_title:
 Hilgardite, Ca2[B5O9]Cl*H2O: a piezoelectric zeolite-type pentaborate
 Note: polytype Hilgardite-4M

atoms_sites:
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formula: Zr Si O4
compound: <missing>
pub_title: Crystal structure and compressibility of zircon at high pressure crystal No. 1, 1 atm - before P
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formula: Zr Si O4
compound: <missing>
pub_title: Crystal structure and compressibility of zircon at high pressure crystal No. 1, P = 9.8 kbar
formula_title: <missing>
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b: 6.5927
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alpha: 90
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formula: Zr Si O4
compound: <missing>
pub_title: Crystal structure and compressibility of zircon at high pressure crystal No. 2, P = 17.4 kbar
formula_title: <missing>
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b: 6.5849
c: 5.9693
alpha: 90
beta: 90
gamma: 90
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formula: Zr Si O4
compound: <missing>
pub_title: Crystal structure and compressibility of zircon at high pressure crystal No. 2, P = 23.2 kbar
formula_title: <missing>
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b: 6.5808
c: 5.9670
alpha: 90
beta: 90
gamma: 90
cell_volume: 258.412
crystal_density: 4.712
atoms_sites: ["Zr", "Si", "O"]
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pub_title: Crystal structure of synthetic (NH4)H8Fe3(PO4)6(H2O)6
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compound: <missing>
pub_title: Crystal structure of 2Mg2SiO4.3Mg(OH)2, a new high-pressure structure type
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formula: C Mn26 As18 O57
compound: <missing>
pub_title: Armangite, Mn26[As6(OH)4O14][As6O18]2[CO3], a fluorite derivative structure
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formula: Na.46 Ca.36 Mg2.04 V1.11 Cr.18 Fe.18 Al5.94 Ti.06 Si5.64 B3 O31 H4
compound: Silver Knob, Mariposa County, California, USA
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pub_title:
 The structure of vanadium-bearing tourmaline and its implications regarding
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pub_title: The crystal structure of wairakite
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formula: Ni2 Si O4
compound: <missing>
formula_title: Ni2SiO4
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c: 8.0442
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beta: 90
gamma: 90
cell_volume: 520.533
crystal_density: 5.346
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pub_title:
 Crystal structures and electron densities of nickel and iron silicate spinels at
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pub_title:
 Crystal structures and electron densities of nickel and iron silicate spinels at
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pub_title:
 Crystal structures and electron densities of nickel and iron silicate spinels at
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pub_title:
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 Crystal structures and electron densities of nickel and iron silicate spinels at
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formula: Mn As O5 H2
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pub_title:
 Krautite, Mn(H2O)(AsO3OH): crystal structure, hydrogen bonding and relations
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pub_title: Crystal chemistry of a metamorphic biotite and its significance in water barometry
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compound: Passo di Mello, Bergell Alps, Switzerland
pub_title: Structure variation in low cordierites Note: sample sci 1542 mono
formula_title: <missing>
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formula: Mg1.766 Fe.18 Al5.743 Si4.823 O18.71 H.71
compound: Alpe Lera Sura, Bergell Alps, Switzerland
pub_title: Structure variation in low cordierites Note: sample Brg 50
formula_title: <missing>
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formula: Mg1.632 Fe.26 Al3.879 Si4.833 O19.22 H1.22
compound: Debris SW Cap Brasca, Bergell Alps, Switzerland
pub_title: Structure variation in low cordierites Note: sample sci 624
formula_title: <missing>
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formula: Mg1.252 Fe1.252 Al3.836 Si4.83 O18.58 H.58
compound: Vallun Trubinasca, Bergell Alps, Switzerland
pub_title: Structure variation in low cordierites Note: sample sci 1018
formula_title: <missing>
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gamma: 90
cell_volume: 1559.075
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formula: Mg1.162 Fe.732 Al3.848 Si4.835 O18.77 H.77
compound: SW Mte. Rosso, Bergell Alps, Switzerland
pub_title: Structure variation in low cordierites Note: sample sci 1104
formula_title: <missing>
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formula: Mg1.176 Fe.772 Al3.856 Si4.878 O18.72 H.72
compound: contact of Bergell granite, Switzerland
pub_title: Structure variation in low cordierites Note: sample sci 552
formula_title: <missing>
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beta: 90
gamma: 90
cell_volume: 1560.714
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formula: Mg5 Al1.67 Cr.28 Si3.04 O18 H8
compound: <missing>
pub_title: Cr3+ coordination in chlorites: a structural study of ten chromian chlorites Day Book Body, N. C.
formula_title: <missing>
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formula: Mg5 Al1.75 Cr.25 Si3 O18 H8
compound: <missing>
pub_title: Cr3+ coordination in chlorites: a structural study of ten chromian chlorites Siskiyou Co., Calif.
formula_title: <missing>
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gamma: 89.90
cell_volume: 701.402
crystal_density: 2.661
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formula: Ba4 (Fe3 Ti) Si8 B2 O29 Cl.89
compound: Candoglia, Italy
pub_title: The crystal structure of taramellite
formula_title: <missing>
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b: 13.946
c: 7.129
alpha: 90
beta: 90
gamma: 90
cell_volume: 1207.966
crystal_density: 4.142
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atoms_sites:
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pub_title:
 The crystal structure of taramellite
 Note: y-coordinate of Ba2 changed from .75 to reproduce reported bond lengths

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formula: (Ni.86 Co.14) S Sb
compound: <missing>
pub_title: Crystal structure refinement of a cobaltian ullmannite
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formula: Ca2.94 Mg.38 Zr1.21 Ti.47 (Si1.509 Al.999 Fe.492) O12
compound: <missing>
pub_title: Crystal chemistry of kimzeyite from Stomboli, Aeolian Islands, Italy
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compound: <missing>
pub_title: The crystal structures of whewellite and weddellite: re-examination and comparison
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compound: <missing>
pub_title: The crystal structures of whewellite and weddellite: re-examination and comparison
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formula: Pb2 As2 O5
compound: <missing>
pub_title: The crystal structure of paulmooreite, Pb2[As2O5]: dimeric arsenite groups
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formula: Mg4.9 Fe.3 Al1.64 Si3.16 O17.98 H7.86
compound: <missing>
pub_title: A neutron diffraction study of a one-layer triclinic chlorite (penninite)
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formula: Zn2 As O5
compound: <missing>
pub_title: Crystal structure of paradamite
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formula: (Si2.82 Al1.18) (K.59 Na.22 Ba.19) O8
compound: Otjosondu, Namibia
pub_title: The crystal structure of ternary (Ba,K,Na)-feldspar and its significance
formula_title: <missing>
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gamma: 90
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formula: Mn7 As2 Zn4 Si2 O24 H8
compound: <missing>
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formula: Mg4 P2 O8.56 F.25 H.37
compound: <missing>
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formula: Na Fe S2 (O2 H4)
compound: Coyote Peak, Humboldt County, California, USA
pub_title: The crystal structure of erdite, NaFeS2*2H2O
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formula: Al3.84 Fe1.93 Mg.15 Si2 O14
compound: <missing>
pub_title: The structure of triclinic chloritoid and chloritoid polymorphism
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formula: Fe Ni
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pub_title: Tetrataenite - ordered FeNi, a new mineral in meteorites
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formula: Ca (Mn11.62 Fe2.38) Si O24
compound: Wessels mine, near Hotazel, South Africa
pub_title: The crystal structure of braunite II and its relation to bixbyite and braunite
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formula: Si O2
compound: <missing>
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formula: Si O2
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formula: Si O2
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formula: Si O2
compound: <missing>
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formula: Sb4 S O10 H2
compound: <missing>
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atoms_sites:
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qdat:
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formula: Sb4 Ca S2 O16 H6
compound: <missing>
pub_title: Peretaite, CaSb4O4(OH)2(SO4)2*2H2O: Its atomic arrangement and twinning
formula_title: <missing>
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b: 5.6006
c: 10.185
alpha: 90
beta: 95.98
gamma: 90
cell_volume: 1399.288
crystal_density: 4.050
atoms_sites: ["Sb1", "Sb2", "Ca", "S", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "H1", "H2", "H3"]
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formula: Al1.005 Si2.995 Na.986 O8
compound: <missing>
formula_title: <missing>
a: 8.142
b: 12.785
c: 7.159
alpha: 94.19
beta: 116.61
gamma: 87.68
cell_volume: 664.477
crystal_density: 2.618
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pub_title:
 Low albite: An X-Ray and neutron diffraction study
 Sample: X-ray single Na atom
 Note: this sample of feldspar is from Amelia, Virginia

atoms_sites:
["Al1o", "Si1o", "Si1m", "Al1m", "Si2o", "Si2m", "Na1", "Oa1", "Oa2", "Obo", "Obm", "Oco", "Ocm", "Odo", "Odm"]

atoms_aniso_label:
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qdat:
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formula: Al.502 Si1.497 Na O4
compound: <missing>
formula_title: <missing>
a: 8.142
b: 12.785
c: 7.159
alpha: 94.19
beta: 116.61
gamma: 87.68
cell_volume: 664.477
crystal_density: 2.851
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pub_title:
 Low albite: An X-Ray and neutron diffraction study
 Sample: X-ray split Na site
 Note: this sample of feldspar is from Amelia, Virginia

atoms_sites:
["Al1o", "Si1o", "Si1m", "Al1m", "Si2o", "Si2m", "Na2", "Na3", "Oa1", "Oa2", "Obo", "Obm", "Oco", "Ocm", "Odo", "Odm"]

atoms_aniso_label:
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qdat:
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formula: Al1.005 Si2.995 Na.986 O8
compound: <missing>
formula_title: <missing>
a: 8.142
b: 12.785
c: 7.159
alpha: 94.19
beta: 116.61
gamma: 87.68
cell_volume: 664.477
crystal_density: 2.618
atoms_x: yIwAAMiMAABQPAAAUDwAAOg9KgDAmCkAKGMQAJBMAACIJiQAWJQxALgQMgCw0QAAsHYBAFCtDABgNQsA
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pub_title:
 Low albite: An X-Ray and neutron diffraction study
 Sample: neutron single Na atom
 Note: this sample of feldspar is from Amelia, Virginia

atoms_sites:
["Al1o", "Si1o", "Si1m", "Al1m", "Si2o", "Si2m", "Na1", "Oa1", "Oa2", "Obo", "Obm", "Oco", "Ocm", "Odo", "Odm"]

qdat:
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formula: Al.502 Si1.497 Na O4
compound: <missing>
formula_title: <missing>
a: 8.142
b: 12.785
c: 7.159
alpha: 94.19
beta: 116.61
gamma: 87.68
cell_volume: 664.477
crystal_density: 2.851
atoms_x: yIwAAMiMAABQPAAAUDwAAOg9KgDAmCkAEIoQACg2EACQTAAAiCYkAFiUMQC4EDIAsNEAALB2AQBQrQwAYDULAA==
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pub_title:
 Low albite: An X-Ray and neutron diffraction study
 Sample: neutron split Na site
 Note: this sample of feldspar is from Amelia, Virginia

atoms_sites:
["Al1o", "Si1o", "Si1m", "Al1m", "Si2o", "Si2m", "Na2", "Na3", "Oa1", "Oa2", "Obo", "Obm", "Oco", "Ocm", "Odo", "Odm"]

atoms_aniso_label:
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formula: Mg1.03 Mn.97 Si O4
compound: Langban, Sweden
pub_title: The forsterite-tephroite series: I. Crystal structure refinements Sample: Fo51 olivine
formula_title: <missing>
a: 4.794
b: 10.491
c: 6.123
alpha: 90
beta: 90
gamma: 90
cell_volume: 307.949
crystal_density: 3.676
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atoms_aniso_label: ["Mg1", "Mn2", "Mg2", "Si", "O1", "O2", "O3"]
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formula: Mn1.83 Mg.17 Si O4
compound: Madagascar
pub_title: The forsterite-tephroite series: I. Crystal structure refinements Sample: Te 91 olivine
formula_title: <missing>
a: 4.879
b: 10.589
c: 6.234
alpha: 90
beta: 90
gamma: 90
cell_volume: 322.072
crystal_density: 4.058
atoms_sites: ["Mn1", "Mg1", "Mn2", "Si", "O1", "O2", "O3"]
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atoms_aniso_label: ["Mn1", "Mg1", "Mn2", "Si", "O1", "O2", "O3"]
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formula: Ca3 Si6 O22 H14
compound: Caxias do Sul, Rio Grande do Sul, Brazil
pub_title: The structure of nekoite, Ca3Si6O15*7H2O, a new type of sheet silicate
formula_title: <missing>
a: 7.588
b: 9.793
c: 7.339
alpha: 111.77
beta: 103.50
gamma: 86.53
cell_volume: 492.263
crystal_density: 2.209
atoms_occupancy: 0
atoms_aniso_label: ["Ca1", "Ca2", "Ca3"]
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atoms_aniso_u23: mBwAAEgmAABYOQAA
atoms_sites:
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atoms_u_iso:
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qdat:
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formula: Na.55 (Mg2.58 Fe.42) (Si3.2 Al.8) O12
compound: <missing>
pub_title: Wonesite: A new rock-forming silicate from the Post Pond Volcanics, Vermont
formula_title: <missing>
a: 5.312
b: 9.163
c: 9.825
alpha: 90
beta: 103.18
gamma: 90
cell_volume: 465.624
crystal_density: 2.869
atoms_sites: ["Na", "Mg1", "Fe1", "Mg2", "Fe2", "Si", "Al", "O1", "O2", "O3", "O4"]
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compound: <missing>
formula_title: <missing>
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b: 8.93
c: 5.27
alpha: 90
beta: 106.44
gamma: 90
cell_volume: 440.538
crystal_density: 3.322
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pub_title:
 Exsolution relationships in a clinopyroxene of average composition
 Ca0.43Mn0.69Mg0.82Si2O6: X-ray diffraction and analytical electron microscopy

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pub_title:
 Exsolution relationship in a clinopyroxene of average composition
 Ca0.43Mn0.69Mg0.82Si2O6: X-ray diffraction and analytical electron microscopy

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formula: Mn4.03 Ca.92 Mg.05 Si5 O17 H4
compound: <missing>
formula_title: <missing>
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pub_title:
 The crystal structure of santaclaraite, CaMn4[Si5O14(OH)](OH)*H2O: The role of
 hydrogen atoms in the pyroxenoid structure
 Note: gamma angle revised according to Am Min 66 (1981) 1281

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compound: <missing>
formula_title: <missing>
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pub_title:
 The crystal structure of a third polymorph of Cu5(PO4)2(OH)4
 Note: related to pseudomalachite and ludjibaite

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formula: Si1.026 Al1.989 Mg1.962 O9 H4
compound: Saranovskoye chromite deposit, North Urals Mountains, USSR
pub_title: A new cation ordering pattern in amesite-2H2
formula_title: <missing>
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compound: <missing>
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pub_title:
 Thermal stability of the heulandite-type framework: Crystal structure of the
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compound: <missing>
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 The crystal structure of bartonite, a potassium iron sulfide, and its
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formula: Ca2 Fe.657 Mn.13 Mg.185 Ti.005 K.022 Na.065 Al1.893 B H Si4 O16
compound: <missing>
pub_title: The crystal structure of a Mexican axinite
formula_title: <missing>
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alpha: 91.857
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gamma: 77.359
cell_volume: 567.657
crystal_density: 3.290
atoms_sites:
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formula: (Mn.86 Al1.14) Si O5
compound: <missing>
pub_title: Refinement of the crystal structure of kanonaite, (Mn,Al)(Al,Mn)O[SiO4]
formula_title: <missing>
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c: 5.616
alpha: 90
beta: 90
gamma: 90
cell_volume: 359.683
crystal_density: 3.436
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formula: Mg2 Si O4
compound: <missing>
pub_title: Beta-Mg2SiO4: Single-crystal X-ray diffraction study case 1
formula_title: <missing>
a: 5.6983
b: 11.4380
c: 8.2566
alpha: 90
beta: 90
gamma: 90
cell_volume: 538.142
crystal_density: 3.473
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formula: (Si3.312 Fe.688) (Mg2.664 Li.225 Na.111) K O10 F2
compound: <missing>
pub_title: Crystal structure of a silica- and alkali-rich trioctahedral mica
formula_title: <missing>
a: 5.329
b: 9.230
c: 10.219
alpha: 90
beta: 100
gamma: 90
cell_volume: 495.002
crystal_density: 2.935
atoms_sites: ["Si", "Fe", "Mg1", "Li1", "Na1", "Mg2", "Li2", "Na2", "K", "O1", "O2", "O3", "F"]
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formula: U2 Si2 O16 Ca H8
compound: Shinkolobwe, Katanga
formula_title: <missing>
a: 15.858
b: 6.985
c: 6.641
alpha: 90
beta: 97.55
gamma: 90
cell_volume: 729.234
crystal_density: 3.809
atoms_occupancy: 0
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pub_title:
 The crystal chemistry of the uranyl silicate minerals
 Note: signs of y and z are changed for many of the atoms

atoms_sites:
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formula: U K Si O7 H2
compound: New Method mine, Amboy, California, USA
pub_title: The crystal chemistry of the uranyl silicate minerals
formula_title: <missing>
a: 7.073
b: 7.064
c: 6.638
alpha: 90
beta: 105.75
gamma: 90
cell_volume: 319.207
crystal_density: 4.362
atoms_sites: ["U", "K", "Si", "O1", "O2", "O3", "O4", "O5", "O6", "Wat"]
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formula: U Si O7
compound: Anderson mine, Yavapai County, Arizona, USA
pub_title: The crystal chemistry of the uranyl silicate minerals
formula_title: <missing>
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b: 17.900
c: 7.087
alpha: 90
beta: 90
gamma: 90
cell_volume: 901.448
crystal_density: 2.786
atoms_sites: ["U1", "Si", "O1", "O2", "O2b", "O3", "O4"]
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formula: Ni1.66 Mg.34 Si O4
compound: <missing>
pub_title: Cation ordering in synthetic and natural Ni-Mg olivine natural
formula_title: <missing>
a: 4.7311
b: 10.1797
c: 5.9408
alpha: 90
beta: 90
gamma: 90
cell_volume: 286.116
crystal_density: 4.591
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formula: (Ni1.16 Mg.84) Si O4
compound: <missing>
pub_title: Cation ordering in synthetic and natural Ni-Mg olivine synthetic
formula_title: <missing>
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b: 10.164
c: 5.9322
alpha: 90
beta: 90
gamma: 90
cell_volume: 285.593
crystal_density: 4.200
atoms_sites: ["Ni1", "Mg1", "Ni2", "Mg2", "Si", "O1", "O2", "O3"]
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formula: Mn35.6 Ca4.66 Fe8.02 Na11.72 P36 O144
compound: <missing>
pub_title: Fillowite, Na2Ca(Mn,Fe)7(PO4)6: Its crystal structure
formula_title: <missing>
a: 15.282
b: 15.282
c: 43.507
alpha: 90
beta: 90
gamma: 120
cell_volume: 8799.340
crystal_density: 3.555
atoms_u_iso: 0
atoms_sites:
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atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

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formula: Pb11 Fe4.5 Si12.5 O41 Cl3
compound: <missing>
pub_title: The crystal structure of jagoite
formula_title: <missing>
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formula: Ca C2 O7 H12
compound: <missing>
pub_title: The crystal structure of calcium oxalate trihydrate Ca(H2O)3(C2O4)
formula_title: Ca(H2O)3(C2O4)
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b: 8.600
c: 6.099
alpha: 112.30
beta: 108.87
gamma: 89.92
cell_volume: 324.935
crystal_density: 1.923
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formula: Ti V O4 H
compound: Lake View mine, Kalgoorlie, Western Australia
formula_title: <missing>
a: 7.494
b: 4.552
c: 10.005
alpha: 90
beta: 129.79
gamma: 90
cell_volume: 262.251
crystal_density: 4.149
atoms_sites: ["Ti", "V", "O1", "O2", "O-H2", "O3", "O-H3", "O4"]
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atoms_aniso_u33: 0
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Tivanite, a new oxyhydroxide mineral from Western Australia,
 and its structural relationship to rutile and diaspore

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formula: Al Fe14 Ca Na4 K P12 O48 F2
compound: Nancy mine, North Groton, New Hampshire, USA
formula_title: <missing>
a: 24.692
b: 10.031
c: 16.453
alpha: 90
beta: 105.78
gamma: 90
cell_volume: 3921.587
crystal_density: 3.654
atoms_u_iso: 0
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pub_title:
 The arrojadite-dickinsonite series, KNa4Ca(Fe,Mn)14Al(OH)2(PO4)12:
 Crystal structure and crystal chemistry
 sample NM

atoms_sites:
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formula: Al Fe14 Ca Na4 K P12 O48 F2
compound: Nickel Plate mine, Keystone, South Dakota, USA
formula_title: <missing>
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b: 10.057
c: 16.526
alpha: 90
beta: 105.78
gamma: 90
cell_volume: 3955.274
crystal_density: 3.623
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pub_title:
 The arrojadite-dickinsonite series, KNa4Ca(Fe,Mn)14Al(OH)2(PO4)12:
 Crystal structure and crystal chemistry
 sample NP

atoms_sites:
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formula: Al Fe14 Ca Na4 K P12 O48 F2
compound: Branchville, Connecticut, USA
formula_title: <missing>
a: 24.940
b: 10.131
c: 16.722
alpha: 90
beta: 105.60
gamma: 90
cell_volume: 4069.458
crystal_density: 3.522
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pub_title:
 The arrojadite-dickinsonite series, KNa4Ca(Fe,Mn)14Al(OH)2(PO4)12:
 crystal structure and crystal chemistry
 sample BR

atoms_sites:
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formula: (Mg.796 Fe.204) Al2 Si2 (O10 H4)
compound: southeast Sfinari, West Crete
pub_title: The crystal structure of a Mg-rich carpholite
formula_title: <missing>
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b: 20.079
c: 5.105
alpha: 90
beta: 90
gamma: 90
cell_volume: 1405.730
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compound: <missing>
pub_title: Cation ordering in lepidolite type 2M(2) from Radkovice
formula_title: <missing>
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c: 20.171
alpha: 90
beta: 99.48
gamma: 90
cell_volume: 932.952
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formula: K Li1.56 Al1.808 Si3.492 O10 F2
compound: <missing>
pub_title: Cation ordering in lepidolite type 1M from Radkovice
formula_title: <missing>
a: 5.209
b: 9.011
c: 10.149
alpha: 90
beta: 100.77
gamma: 90
cell_volume: 467.986
crystal_density: 2.802
atoms_sites: ["K", "Li1", "Al2", "Li2", "Si", "Al", "O1", "O2", "O3", "F"]
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formula: K Li2 Al1.128 Si3.868 O11 (F H)
compound: <missing>
pub_title: Cation ordering in lepidolite Tanakamiyama
formula_title: <missing>
a: 5.242
b: 9.055
c: 10.097
alpha: 90
beta: 100.77
gamma: 90
cell_volume: 470.825
crystal_density: 2.737
atoms_sites: ["K", "Li1", "Al2", "Li3", "Si1", "Al1", "Si2", "Al2", "O1", "O2", "O3", "O4", "O5", "F", "O-H6"]
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formula: Mn12.9 Mg.1 Fe Cu.843 Si1.7 As6.3 O33 H6
compound: <missing>
pub_title: Dixenite, CuMn14Fe(OH)6(AsO3)5(SiO4)2(AsO4): Metallic [As4Cu] clusters in an oxide matrix
formula_title: <missing>
a: 8.233
b: 8.233
c: 37.499
alpha: 90
beta: 90
gamma: 120
cell_volume: 2201.236
crystal_density: 4.242
atoms_u_iso: 0
atoms_sites:
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pub_title:
 Crystal structure of a pink muscovite from Archer's Post, Kenya: Implications
 for reverse pleochroism in dioctahedral micas

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pub_title:
 An ordering model for the commensurate antiphase structure of yoderite
 Ordered, T = 20 deg C
 Note: the sample is from Mautia Hill, Tanzania

atoms_sites:
["Si1", "Si2", "Al1", "Mg1", "Al2", "Mg2", "Al3", "Fe", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8"]

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compound: <missing>
formula_title: <missing>
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beta: 104.9
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pub_title:
 An ordering model for the commensurate antiphase structure of yoderite
 Disordered after heating to 800 C, at T = 20 C
 Note: the sample is from Mautia Hill, Tanzania

atoms_sites:
["Si1", "Si2", "Al1", "Mg1", "Al2", "Mg2", "Al3", "Fe", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8"]

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pub_title:
 Crystal structure of minamiite, a new mineral of the alunite group
 Note: mineral has been redefined as the 2R polytype of natroalunite

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pub_title:
 Crystal structure of minamiite, a new mineral of the alunite group
 Note: mineral is the 2R polytype

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formula: P2 Mg2.18 Fe.58 Mn.29 Ca.95 O10 H2
compound: <missing>
pub_title: The crystal structure of thadeuite, Mg(Ca,Mn)(Mg,Fe,Mn)2(PO4)2(OH,F)2
formula_title: <missing>
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formula: (Fe.725 Ni.025 Si.25)
compound: North Haig ureilite, meteorite, Western Australia
pub_title: Suessite, Fe3Si: a new mineral in the North Haig ureilite
formula_title: <missing>
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b: 2.841
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gamma: 90
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compound: <missing>
pub_title: Mica polytypism: Similarities in the crystal structures of coexisting 1M and 2M(1) oxybiotite
formula_title: <missing>
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alpha: 90
beta: 100.102
gamma: 90
cell_volume: 487.429
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compound: <missing>
formula_title: <missing>
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cell_volume: 974.662
crystal_density: 3.071
atoms_u_iso: 0
pub_title:
 Mica polytypism: Similarities in the crystal structures of coexisting 1M and
 2M(1) oxybiotite
 Sample: in the 2M1 setting

atoms_sites:
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formula: Mg7.164 Fe3.512 Al3.3 Ti1.344 Si5.68 K2 O48
compound: <missing>
formula_title: <missing>
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b: 9.211
c: 10.105
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pub_title:
 Mica polytypism: Similarities in the crystal structures of coexisting 1M and
 2M(1) oxybiotite
 Sample: in the 2M1 setting

atoms_sites:
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compound: <missing>
pub_title: The modulated structure of cubic Cu9BiS6 the alpha phase
formula_title: <missing>
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formula: Al7.29 Fe2.21 Ti.5 Mg.7 Zn.3 O16 H
compound: <missing>
pub_title: The crystal structure of hogbomite-8H
formula_title: <missing>
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b: 5.734
c: 18.389
alpha: 90
beta: 90
gamma: 120
cell_volume: 523.605
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formula: Cu4 Mn S2 O18 H14
compound: <missing>
formula_title: <missing>
a: 21.707
b: 6.098
c: 11.245
alpha: 90
beta: 100.3
gamma: 90
cell_volume: 1464.506
crystal_density: 3.063
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pub_title:
 Campigliaite, Cu4Mn(SO4)2(OH)6.4H2O, a new mineral from Campiglia Marittima,
 Tuscany, Italy II. Crystal structure

atoms_sites:
["Cu1", "Cu2", "Cu3", "Cu4", "Mn", "S1", "S2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "O16", "O17", "O18", "H1", "H2", "H3", "H4", "H5", "H6", "H7", "H8", "H9", "H10", "H11", "H12", "H13", "H14"]

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formula: Si2 Mg3 O9 H4
compound: <missing>
pub_title: The crystal structure of lizardite 1T: hydrogen bonds and polytypism
formula_title: <missing>
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b: 5.332
c: 7.233
alpha: 90
beta: 90
gamma: 120
cell_volume: 178.086
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formula: Ca Sc Si3 O9 H2
compound: <missing>
pub_title: The crystal structure of cascandite, CaScSi3O8(OH)
formula_title: <missing>
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b: 10.420
c: 7.076
alpha: 98.91
beta: 102.63
gamma: 84.17
cell_volume: 694.221
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formula: (Ca1.74 Th.26) Zr2 Ti2.11 Fe.91 Nb.98 O14
compound: <missing>
pub_title: Structure refinement of zirkelite from Kaiserstuhl, West Germany
formula_title: <missing>
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formula: Si Mg O3
compound: <missing>
pub_title: MgSiO3 (ilmenite-type): Single crystal X-ray diffraction study
formula_title: <missing>
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b: 4.7284
c: 13.5591
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beta: 90
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formula: Hf Si O4
compound: <missing>
formula_title: <missing>
a: 6.5725
b: 6.5725
c: 5.9632
alpha: 90
beta: 90
gamma: 90
cell_volume: 257.597
crystal_density: 6.977
atoms_sites: ["Hf", "Si", "O"]
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atoms_y: wMYtAMDGLQBw/wMA
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pub_title:
 Crystal structure of synthetic hafnon, HfSiO4, comparison with zircon and the
 actinide orthosilicates

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formula: (Fe1.5 Mn1.5) P2 O8
compound: <missing>
pub_title: The cation distribution in synthetic (Fe,Mn)3(PO4)2 graftonite-type solid solutions
formula_title: <missing>
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b: 11.370
c: 6.155
alpha: 90
beta: 99.07
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atoms_sites:
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formula: Bi3 As2 O10
compound: <missing>
formula_title: <missing>
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b: 7.404
c: 6.937
alpha: 87.82
beta: 115.01
gamma: 111.07
cell_volume: 430.074
crystal_density: 7.234
atoms_sites: ["Bi1", "Bi2", "Bi3", "As1", "As2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10"]
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pub_title:
 Preisingerite, Bi3O(OH)(AsO4)2, a new species from San Juan Province, Argentina:
 Its description and crystal structure

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pub_title:
 The anorthoclase structures: The effects of temperature and composition
 Grande Calderira, Or = 32.5, T = 23 deg C
 feldspar

atoms_sites:
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formula: (Al Si3) (Na.667 K.333) O8
compound: <missing>
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pub_title:
 The anorthoclase structures: The effects of temperature and composition
 Grande Caldeira, Or = 32.5, T = 400 deg C
 feldspar

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pub_title:
 The anorthoclase structures: The effects of temperature and composition
 Mt. Gibele, Or = 22.3, T = 23 deg C
 feldspar

atoms_sites:
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formula: (Al Si3) (Na.75 K.25) O8
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pub_title:
 The anorthoclase structures: The effects of temperature and composition
 Mt. Gibele, Or = 22.3, T = 510 deg C
 feldspar

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pub_title:
 The anorthoclase structures: The effects of temperature and composition
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 feldspar

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pub_title:
 The anorthoclase structures: The effects of temperature and composition
 Kakanui, Or = 13.8, T = 750 deg C
 feldspar

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atoms_u_iso: 0
pub_title:
 Hyalotekite, a complex lead borosilicate: Its crystal structure and the
 lone-pair effect of Pb(II)

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compound: <missing>
formula_title: <missing>
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gamma: 90
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atoms_aniso_label: ["Ce1", "Ce2", "Si1", "Si2", "Al", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O-H"]
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pub_title:
 Tornebohmite, RE2Al(OH)[SiO4]2: Crystal structure and genealogy of
 RE(III)Si(IV) <---> Ca(II)P(V) isomorphisms

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formula: (Mn6.19 Mg2.81) Zn4 (O38 S2) H30
compound: <missing>
formula_title: <missing>
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b: 9.64
c: 16.41
alpha: 90
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cell_volume: 1654.158
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pub_title:
 The crystal structure of lawsonbauerite, (Mn,Mg)9Zn4(SO4)2(OH)22.8H2O,
 and its relation to mooreite

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formula: Co As S
compound: <missing>
pub_title: A further crystal structure refinement of cobaltite
formula_title: <missing>
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formula: (Fe.19 Co.27 Ni.54) (As1.04 S.96)
compound: Garson mine, Sudbury, Ontario, Canada
pub_title: A further crystal structure refinement of gersdorffite Sample: M15861
formula_title: <missing>
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formula: (Ni.52 Mg1.14 Fe.34) Si O4
compound: Synthetic
pub_title: The cation distribution in synthetic Mg-Fe-Ni olivines sample H2
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compound: Synthetic
pub_title: The cation distribution in synthetic Mg-Fe-Ni olivines sample H4
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formula: (Al1.41 Si2.59) (Ba.4 K.47 Na.13) O8
compound: Yugoslavia
formula_title: <missing>
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pub_title:
 Al,Si distribution in a ternary (Ba,K,Na)-feldspar as determined by crystal
 structure refinement
 Celsian-rich

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formula: Ca Li.5 Al3.68 Si1.74 Be.58 O12 H2
compound: Mops pegmatite, Salisbury district, Zimbabwe
pub_title: The crystal structure of a Li,Be-rich brittle mica: a dioctahedral-trioctahedral intermediate
formula_title: <missing>
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c: 19.111
alpha: 90
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crystal_density: 3.079
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formula: Ag Hg As S3
compound: <missing>
pub_title: Laffittite, AgHgAsS3: crystal structure and second occurrence from the Getchell mine, Nevada
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formula: B2 Mg3 S F O13 H9
compound: <missing>
pub_title: The crystal structure of sulfoborite, Mg3SO4(B(OH)4)2(OH)F
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compound: <missing>
formula_title: <missing>
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pub_title:
 Calciobetafite (new mineral of the pyrochlore group) and related minerals from
 Campi Flegrei, Italy; crystal structures of polymignyte and zirkelite:
 comparison with pyrochlore and zirconolite

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compound: Campi Flegrei, Italy
formula_title: <missing>
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b: 14.147
c: 7.278
alpha: 90
beta: 90
gamma: 90
cell_volume: 1044.857
crystal_density: 5.126
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pub_title:
 Calciobetafite (new mineral of the pyrochlore group) and related minerals from
 Campi Flegrei, Italy; crystal structures of polymignyte and zirkelite:
 comparison with pyrochlore and zirconolite
 Note: polytype zirconolite-3O

atoms_sites:
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formula_title: <missing>
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b: 7.287
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cell_volume: 776.524
crystal_density: 5.499
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pub_title:
 Calciobetafite (new mineral of the pyrochlore group) and related minerals from
 Campi Flegrei, Italy; crystal structures of polymignyte and zirkelite:
 comparison with pyrochlore and zirconolite
 Note: B(2,3) for Ti61 has been changed to satisfy symmetry constraints

atoms_sites:
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formula: Na2.984 Al4.67 Si13.07 O36
compound: <missing>
formula_title: <missing>
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c: 11.320
alpha: 90
beta: 126.96
gamma: 90
cell_volume: 2241.321
crystal_density: 1.686
pub_title:
 Thermal stability of the stilbite-type framework: crystal structure of the
 dehydrated sodium/ammonium exchange form

atoms_sites:
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formula: Mn.89 Al2.11 O4
compound: <missing>
formula_title: <missing>
a: 8.181
b: 8.181
c: 8.181
alpha: 90
beta: 90
gamma: 90
cell_volume: 547.544
crystal_density: 4.120
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pub_title:
 Crystal chemistry and petrology of coexisting galaxite and jacobsite and other
 spinel solution and solvi

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formula: K2 Si4 O9
compound: <missing>
formula_title: K2SiSi3O9
a: 6.612
b: 6.612
c: 9.510
alpha: 90
beta: 90
gamma: 120
cell_volume: 360.062
crystal_density: 3.086
atoms_sites: ["K", "Si1", "Si2", "O1", "O2"]
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pub_title:
 The crystal structure of K2SiSi3O9
 Note: B(1,2) for K and Si1 have been changed to match symmetry constraints
 Note: wadeite structure

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formula: Ba Fe Si4 O10
compound: Fresno Co, California, USA
formula_title: <missing>
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alpha: 90
beta: 90
gamma: 90
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pub_title:
 High-pressure and high-temperature crystallographic study of the gillespite I-II
 phase transition
 P = 1 bar

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formula: Ba Fe Si4 O10
compound: Fresno Co, California, USA
formula_title: <missing>
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beta: 90
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pub_title:
 High-pressure and high-temperature crystallographic study of the gillespite I-II
 phase transition
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formula: Ba Fe Si4 O10
compound: Fresno Co, California, USA
formula_title: <missing>
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c: 7.920
alpha: 90
beta: 90
gamma: 90
cell_volume: 434.858
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pub_title:
 High-pressure and high-temperature crystallographic study of the gillespite I-II
 phase transition
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formula: Ba Fe Si4 O10
compound: Fresno Co, California, USA
formula_title: <missing>
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b: 7.224
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alpha: 90
beta: 90
gamma: 90
cell_volume: 418.591
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atoms_sites: ["Ba", "Fe", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5"]
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pub_title:
 High-pressure and high-temperature crystallographic study of the gillespite I-II
 phase transition
 Note O2 y-coordinate changed to reproduce reported bond lengths
 P = 45 kbar

qdat:
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formula: Ca2 Cl B5 O10 H2
compound: Iberville Parish, Louisiana, USA
formula_title: <missing>
a: 17.495
b: 6.487
c: 6.313
alpha: 60.77
beta: 79.56
gamma: 83.96
cell_volume: 614.766
crystal_density: 2.688
atoms_occupancy: 0
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pub_title:
 Parahilgardite, Ca6[B5O9]3Cl3*3H2O: a triclinic piezoelectric
 zeolite-type pentaborate
 Note: polytype Hilgardite-3A

atoms_sites:
["Ca1", "Ca2", "Ca3", "Ca4", "Ca5", "Ca6", "Cl1", "Cl2", "Cl3", "B1", "B2", "B3", "B4", "B5", "B6", "B7", "B8", "B9", "B10", "B11", "B12", "B13", "B14", "B15", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "O16", "O17", "O18", "O19", "O20", "O21", "O22", "O23", "O24", "O25", "O26", "O27", "OW1", "OW2", "OW3", "H1", "H2", "H3", "H4", "H5", "H6"]

atoms_x:

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formula: Ca5 Si9 O32 H18
compound: Kolhapur District, Maharastra State, India
pub_title: Okenite, Ca10Si18O46*18H2O: the first example of a chain and sheet silicate
formula_title: <missing>
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b: 7.28
c: 22.02
alpha: 92.7
beta: 100.1
gamma: 110.9
cell_volume: 1418.476
crystal_density: 2.302
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pub_title: Structure refinements of some thermally disordered dolomites sample DO - 1100
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