# cif

formula: Cs Al Mo2 O8
compound: <missing>
pub_title: CsAl(MoO4)2
formula_title: CsAl(MoO4)2
a: 5.5510
b: 5.5510
c: 8.037
alpha: 90
beta: 90
gamma: 120
cell_volume: 214.470
crystal_density: 3.715
atoms_sites: ["Cs", "Al", "Mo", "O1", "O2"]
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formula: Mn S O8 H8
compound: Synthetic
pub_title: Manganese(II) sulfate tetrahydrate (ilesite)
formula_title: <missing>
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b: 13.8090
c: 8.0481
alpha: 90
beta: 90.800
gamma: 90
cell_volume: 664.341
crystal_density: 2.230
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formula: Na Al Mo2 O8
compound: <missing>
pub_title: NaAl(MoO4)2: a rare structure type among layered yavapaiite-related AM(XO4)2 compounds
formula_title: NaAl(MoO4)2
a: 9.621
b: 5.3390
c: 13.146
alpha: 90
beta: 90.01
gamma: 90
cell_volume: 675.264
crystal_density: 3.638
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formula: Ba Ca Al F7
compound: <missing>
pub_title: alpha-BaCaAlF7
formula_title: BaCaAlF7
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b: 5.3846
c: 18.8262
alpha: 90
beta: 92.319
gamma: 90
cell_volume: 543.555
crystal_density: 4.123
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formula: Li Cl O H2
compound: <missing>
pub_title: An orthorhombic modification of lithium chloride monohydrate
formula_title: LiCl*H2O
a: 7.6259
b: 7.7107
c: 7.6592
alpha: 90
beta: 90
gamma: 90
cell_volume: 450.369
crystal_density: 1.782
atoms_sites: ["Li1", "Li2", "Cl", "O", "H"]
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formula: Li2 Se O5 H2
compound: <missing>
pub_title: Dilithium selenate hydrate, Li2SeO4*H2O
formula_title: Li2SeO4*H2O
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b: 5.0284
c: 8.4521
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beta: 107.634
gamma: 90
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crystal_density: 2.569
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formula: Na Mg P3 O10 H8
compound: <missing>
pub_title: Sodium magnesium tris(dihydrogenphosphite) monohydrate, NaMg(H2PO3)3*H2O
formula_title: NaMg(H2PO3)3*H2O
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b: 9.078
c: 14.811
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beta: 90
gamma: 90
cell_volume: 1990.730
crystal_density: 2.057
atoms_occupancy: 0
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formula: (Sc2 Ti) O5
compound: <missing>
pub_title: Sc2TiO5, an entropy-stabilized pseudobrookite-type compound
formula_title: Sc2TiO5
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b: 10.131
c: 10.287
alpha: 90
beta: 90
gamma: 90
cell_volume: 401.342
crystal_density: 3.604
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formula: Hg B4 O7
compound: <missing>
pub_title: HgB4O7, a member of the isotypic MIIB4O7 family (MII = Mg, Mn, Zn, Cd)
formula_title: HgB4O7
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formula: Bi3.041 Sc.959 Mo2 O12
compound: <missing>
pub_title: Bi3ScMo2O12: the difference from Bi3FeMo2O12
formula_title: Bi3ScMo2O12
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formula: K Pr F4
compound: <missing>
pub_title: KPrF4
formula_title: KPrF4
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b: 3.7821
c: 15.578
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beta: 90
gamma: 90
cell_volume: 369.572
crystal_density: 4.601
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formula_title: Li3Sc(MoO4)3
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formula: Ba2 Co Si2 O7
compound: <missing>
pub_title: Tetragonal form of barium cobalt disilicate, Ba2CoSi2O7
formula_title: Ba2CoSi2O7
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formula_title: K2MoO2P2O7
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compound: <missing>
pub_title: Dipotassium manganese(II) bis(dihydrogendiphosphate) dihydrate, K2Mn(H2P2O7)2*2H2O
formula_title: K2Mn(H2P2O7)2*2H2O
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compound: <missing>
pub_title: Ag1.49Mn1.49IIMn1.51III(AsO4)3
formula_title: Ag1.49Mn3(AsO4)3
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formula: Li3 Ta O4
compound: <missing>
pub_title: Reinvestigation of beta-Li3TaO4
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compound: Big Fish River area, Yukon Territory, Canada
pub_title: Mg-rich wolfeite, (Fe,Mg)2(PO4)(OH): structure refinement and Raman spectroscopic data
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formula_title: LiMnVO4
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pub_title: alpha-Cs2Cr3O10
formula_title: Cs2Cr3O10
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formula: Rb2 W S4
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pub_title: Dirubidium tetrathiotungstate, Rb2[WS4]
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formula: La N3 O6
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pub_title: La(NO2)3, a novel (3,9)-connected lanthanide-based network
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formula_title: CsLa(PO3)4
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formula: Cu Cl2 O16 H16
compound: Synthetic
pub_title: Hexaaquacopper(II) diperchlorate dihydrate
formula_title: Cu(ClO4)2*8H2O
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b: 12.4043
c: 9.2181
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formula: Hg Cl O4 H
compound: <missing>
pub_title: Redetermination of mercury(II) hydroxide chlorate(V)
formula_title: Hg(ClO3)(OH)
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b: 11.4064
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crystal_density: 5.253
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formula: K Ca C O3 F
compound: <missing>
pub_title: KCaF(CO3) from X-ray powder data
formula_title: KCaF(CO3)
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b: 5.10093
c: 4.45510
alpha: 90
beta: 90
gamma: 120
cell_volume: 100.389
crystal_density: 2.617
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formula: Rb Mn6 As7 O24
compound: <missing>
pub_title: RbMn6(As2O7)2(As3O10): a new manganese(II) arsenate
formula_title: RbMn6(As2O7)2(As3O10)
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b: 27.830
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alpha: 90
beta: 107.56
gamma: 90
cell_volume: 1008.454
crystal_density: 4.359
atoms_occupancy: 0
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formula: Ba1.5 V2 P3 O12
compound: <missing>
pub_title: The langbeinite-type barium vanadium(III) orthophosphate, Ba3V4(PO4)6
formula_title: Ba3V4(PO4)6
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b: 9.8825
c: 9.8825
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beta: 90
gamma: 90
cell_volume: 965.163
crystal_density: 4.080
atoms_sites: ["Ba1", "Ba2", "V1", "V2", "P", "O1", "O2", "O3", "O4"]
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formula: K2 Co P2 O8 H6
compound: <missing>
pub_title: Dipotassium cobalt(II) bis(hydrogenphosphite) dihydrate, K2Co(HPO3)2*2H2O
formula_title: K2Co(HPO3)2*2H2O
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b: 5.319
c: 7.327
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beta: 116.02
gamma: 90
cell_volume: 439.107
crystal_density: 2.519
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formula: Eu I Br
compound: <missing>
pub_title: Europium(II) bromide iodide
formula_title: EuIBr
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b: 4.7404
c: 9.799
alpha: 90
beta: 90
gamma: 90
cell_volume: 388.903
crystal_density: 6.128
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formula: Na3 Y Cl6
compound: <missing>
pub_title: Trisodium yttrium(III) hexachloride
formula_title: Na3YCl6
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b: 7.2550
c: 10.1444
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formula: K3 Bi2 As3 O12
compound: <missing>
pub_title: Tripotassium dibismuth(III) tris[arsenate(V)], K3Bi2(AsO4)3
formula_title: K3Bi2(AsO4)3
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b: 13.773
c: 7.009
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crystal_density: 5.139
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formula: Na Mg4 As3 O12
compound: <missing>
pub_title: NaMg4(AsO4)3
formula_title: NaMg4(AsO4)3
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gamma: 90
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formula: N H28 Cr S2 O20
compound: <missing>
pub_title: The ammonium chromium(III) alum NH4Cr(SO4)2*12H2O
formula_title: NH4Cr(SO4)2*12H2O
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b: 12.2491
c: 12.2491
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beta: 90
gamma: 90
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crystal_density: 1.729
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formula: N H8 Fe S2 O10
compound: <missing>
pub_title: NH4FeIIH(SO4)2*2H2O
formula_title: NH4FeIIH(SO4)2*2H2O
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formula: Li Yb P4 O12
compound: <missing>
pub_title: LiYb(PO3)4
formula_title: LiYb(PO3)4
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c: 9.498
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gamma: 90
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crystal_density: 3.764
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formula: Pb2 B5 O9 Br
compound: <missing>
pub_title: Reinvestigation of the Pb2[B5O9]Br structure based on single-crystal data
formula_title: Pb2[B5O9]Br
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b: 11.4717
c: 6.5297
alpha: 90
beta: 90
gamma: 90
cell_volume: 860.941
crystal_density: 5.342
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formula: Eu B3 O6
compound: <missing>
pub_title: Europium triborate, EuB3O6
formula_title: EuB3O6
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formula: Ce B3 O6
compound: <missing>
pub_title: Cerium triborate, CeB3O6
formula_title: CeB3O6
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b: 8.1266
c: 7.9300
alpha: 90
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gamma: 90
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crystal_density: 4.302
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formula: Fe7 As6 O24
compound: <missing>
pub_title: FeII3FeIII4(AsO4)6, the first arsenate adopting the Fe7(PO4)6 structure type
formula_title: Fe7(AsO4)6
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c: 9.6190
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gamma: 101.842
cell_volume: 447.849
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formula: Na.376 Ca.312 Mg Fe2 P3 O12
compound: <missing>
pub_title: (Na0.38,Ca0.31)MgFe2P3O12
formula_title: (Na0.38,Ca0.31)MgFe2P3O12
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formula: Cs2 Th Si6 O15
compound: <missing>
pub_title: Caesium thorium silicate, Cs2ThSi6O15
formula_title: Cs2ThSi6O15
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b: 7.2154
c: 13.6800
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beta: 90
gamma: 90
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crystal_density: 3.744
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formula: K3 Fe3 As4 O16
compound: <missing>
pub_title: Compose a charpente bidimensionnelle K3Fe3(AsO4)4
formula_title: K3Fe3(AsO4)4
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gamma: 90
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crystal_density: 3.594
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formula: Ce2 Si2 O7
compound: <missing>
pub_title: Dicerium disilicate, Ce2[Si2O7]
formula_title: <missing>
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b: 6.7964
c: 24.7282
alpha: 90
beta: 90
gamma: 90
cell_volume: 1142.222
crystal_density: 5.215
atoms_occupancy: 0
atoms_sites:
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formula: Mn2 S3 O12 N2 H8
compound: <missing>
pub_title: Langbeinite-type (NH4)2Mn2(SO4)3
formula_title: (NH4)2Mn2(SO4)3
a: 10.188
b: 10.188
c: 10.188
alpha: 90
beta: 90
gamma: 90
cell_volume: 1057.467
crystal_density: 2.727
atoms_sites: ["Mn1", "Mn2", "S", "O1", "O2", "O3", "O4", "N1", "N2", "H11", "H12", "H21", "H22"]
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formula: Cd Si O3
compound: <missing>
pub_title: Parawollastonite-type Cd3[Si3O9]
formula_title: Cd3[Si3O9]
a: 6.9463
b: 7.2563
c: 15.0697
alpha: 90
beta: 94.791
gamma: 90
cell_volume: 756.926
crystal_density: 4.962
atoms_sites: ["Cd1", "Cd2", "Cd3", "Si1", "Si2", "Si3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9"]
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formula: Co Zn2 P2 O12 H8
compound: <missing>
pub_title: CoZn2(PO4)2*4H2O, a cobalt-doped modification of hopeite
formula_title: CoZn2(PO4)2*4H2O
a: 10.568
b: 18.258
c: 5.025
alpha: 90
beta: 90
gamma: 90
cell_volume: 969.576
crystal_density: 3.095
atoms_sites: ["Co", "Zn", "P", "O1", "O2", "O3", "O4", "O1W", "H1W", "O2W", "H2W", "O3W", "H3W1", "H3W2"]
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formula: Ni Zn2 P2 O12 H8
compound: <missing>
pub_title: NiZn2(PO4)2*4H2O, a nickel-doped modification of hopeite
formula_title: NiZn2(PO4)2*4H2O
a: 10.562
b: 18.224
c: 5.0133
alpha: 90
beta: 90
gamma: 90
cell_volume: 964.969
crystal_density: 3.108
atoms_sites: ["Ni", "Zn", "P", "O1", "O2", "O3", "O4", "O1W", "H1W", "O2W", "H2W", "O3W", "H3W1", "H3W2"]
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formula: K Nb5 O13
compound: <missing>
pub_title: A new potassium niobate, KNb5O13
formula_title: KNb5O13
a: 5.672
b: 10.737
c: 16.742
alpha: 90
beta: 90
gamma: 90
cell_volume: 1019.592
crystal_density: 4.636
atoms_sites: ["K", "Nb1", "Nb2", "Nb3", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
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formula: K2 Ca2 Mg S4 O18 H4
compound: <missing>
pub_title: Reinvestigation of the crystal structure of polyhalite, K2Ca2Mg(SO4)4*2H2O
formula_title: <missing>
a: 6.975
b: 6.984
c: 8.899
alpha: 104.01
beta: 101.19
gamma: 114.10
cell_volume: 362.337
crystal_density: 2.763
atoms_sites: ["K", "Ca", "Mg", "S1", "S2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "Wat9"]
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formula: V2 O4 Li
compound: Synthetic
pub_title: Lithium divanadate spinel, LiV2O4
formula_title: LiV2O4
a: 8.2437
b: 8.2437
c: 8.2437
alpha: 90
beta: 90
gamma: 90
cell_volume: 560.230
crystal_density: 4.098
atoms_sites: ["V", "O", "Li"]
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atoms_y: gIQeAHj1DwAgoQcA
atoms_z: gIQeAHj1DwAgoQcA
atoms_occupancy: 0
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atoms_aniso_label: ["V", "O", "Li"]
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atoms_aniso_u22: cGIAACBnAACgcwAA
atoms_aniso_u33: cGIAACBnAACgcwAA
atoms_aniso_u12: QPz//7AEAAAAAAAA
atoms_aniso_u13: 4Pz//1D7//8AAAAA
atoms_aniso_u23: 4Pz//1D7//8AAAAA
qdat:
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formula: Ba5 V3 Cl O12
compound: Synthetic
pub_title: Apatite-type Ba5(VO4)3Cl
formula_title: Ba5(VO4)3Cl
a: 10.5565
b: 10.5565
c: 7.7584
alpha: 90
beta: 90
gamma: 120
cell_volume: 748.760
crystal_density: 4.732
atoms_sites: ["Ba1", "Ba2", "V1", "Cl1", "O1", "O2", "O3"]
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atoms_occupancy: 0
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atoms_aniso_label: ["Ba1", "Ba2", "V1", "Cl1", "O1", "O2", "O3"]
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atoms_aniso_u13: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAINH//w==
atoms_aniso_u23: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEKr//w==
qdat:
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formula: Fe P2 K2 F2 O8 H4
compound: Synthetic
pub_title: K2Fe[H(HPO4)2]F2
formula_title: K2Fe[H(HPO4)2]F2
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formula: La Al O3
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formula: Sr Ga4
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pub_title: Strontium tetragallide
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formula: (Na Cd) Zn2 F7
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formula: K4 Na2 Si6 O15
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formula: Li4.998 (K.31 Na.69) Cr4 P6 O24
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formula: Ca B8 O15 H4
compound: Synthetic
pub_title: Redetermination of CaB8O11(OH)4 at low temperature Note: T = 120 K
formula_title: CaB8O11(OH)4
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formula: Ca Cl2 O2
compound: Synthetic
pub_title: Calcium chlorite, Ca(ClO2)2, from X-ray powder diffraction data
formula_title: Ca(ClO2)2
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formula: Sr Cl2 O2
compound: Synthetic
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formula: Al2 Si O6 D2
compound: Synthetic
formula_title: <missing>
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beta: 90
gamma: 90
cell_volume: 356.056
crystal_density: 3.397
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pub_title:
 A Rietveld refinement using neutron powder diffraction data of a
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formula: Ca3 (Al1.338 Fe.662) Si3 O12
compound: Diamantina, Minas Gerais, Brazil
pub_title: X-ray powder refinement of a natural garnet from Diamantina, Minas Gerais, Brazil
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formula: Yb As O4
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formula: K Mg P2 O9 H5
compound: Synthetic
pub_title: Potassium magnesium hydrogendiphosphate dihydrate
formula_title: KMg(HP2O7)*2H2O
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formula: Sc2 Te3
compound: Synthetic
pub_title: The sesquitelluride Sc2Te3
formula_title: Sc2Te3
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formula: S Mg2 C4 Na6 O16
compound: Searles Lake, Trona, San Bernardino County, California, USA
pub_title: Tychite, Na6Mg2(SO4)(CO3)4: Structure analysis and Raman spectroscopic data
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formula: Fe O2 H
compound: Park County, Colorado, USA
pub_title: Goethite, alpha-FeO(OH), from single-crystal data
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formula: Sn Ca2 Al2 Si6 O22 H6
compound: Foote Mineral Company mine, Kings Mountain, North Carolina, USA
formula_title: <missing>
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b: 7.6963
c: 7.4449
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gamma: 90
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 Reinvestigation of eakerite, Ca2SnAl2Si6O18(OH)2*2H2O: H-atom positions by
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formula: Ca (Co.95 Cu.05) As O5 H
compound: Dome Rock, Mingary, South Australia, Australia
pub_title: Cobaltaustinite, CaCo(AsO4)(OH)
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formula: As Fe O6 H4
compound: Synthetic
pub_title: Redetermination of iron(III) arsenate dihydrate
formula_title: <missing>
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formula: Ge.74 V.21 O2
compound: Synthetic
formula_title: <missing>
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b: 4.4001
c: 2.8670
alpha: 90
beta: 90
gamma: 90
cell_volume: 55.508
crystal_density: 5.769
atoms_sites: ["Ge", "V", "O"]
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pub_title:
 Incorporation of vanadium(V) into the rutile-type phase of GeO2: the solid
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formula: Na Fe2.75 Si3 O10
compound: Warrumbungle Volcano, central New South Wales, Australia
pub_title: Single-crystal X-ray refinement of wilkinsonite, Na2Fe2+4Fe3+2Si6O20.
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compound: Synthetic
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formula_title: Ca9Cr(PO4)7
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formula: Fe S O4
compound: Synthetic
pub_title: The high-temperature beta modification of iron(II) sulfate
formula_title: FeSO4
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formula: K2 (Fe Sn) P3 O12
compound: Synthetic
pub_title: Langbeinite-related K2FeSn(PO4)3 from single-crystal data
formula_title: K2FeSn(PO4)3
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formula: Na3 Fe2 As3 O12
compound: Synthetic
formula_title: Na3Fe2(AsO4)3
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b: 12.250
c: 12.250
alpha: 90
beta: 90
gamma: 90
cell_volume: 1838.266
crystal_density: 4.317
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pub_title:
 L'arseniate Na3Fe2(AsO4)3: etude structurale de la forme basse temperature et
 simulation des proprietes de conduction des cations alcalins
 Note: garnet structure

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formula: Tl (Cu.644 Ag.356) (Hg1.702 Zn.298) (As1.696 Sb.304) S6
compound: Jas Roux, France
pub_title: Routhierite, Tl(Cu,Ag)(Hg,Zn)2(As,Sb)2S6
formula_title: <missing>
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formula: Pb Te O3
compound: Synthetic
pub_title: alpha-Lead tellurite from single-crystal data
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formula: Cu As S
compound: Marienberg, Saxony, Germany
pub_title: Reinvestigation of the crystal structure of lautite, CuAsS
formula_title: <missing>
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b: 3.7533
c: 5.453
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gamma: 90
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formula: Ca Cu As O5 H
compound: Maria Catalina mine, Tierra Amarilla, Chile
pub_title: Redetermination of conichalcite, CaCu(AsO4)(OH)
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formula: Cu2 (As.916 P.084) O5 H
compound: Majuba Hill, Pershing County, Nevada, USA
pub_title: Redetermination of olivenite from an untwinned single-crystal Note: RRUFF.info/R040181
formula_title: <missing>
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b: 8.2084
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formula: Zn S
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formula: Sb2 O3
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pub_title: Uber die kristallstruktur der antimonoxyde
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formula: Sb O2
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formula: Ba Ti Si3 O9
compound: Dallas Gem Mine, San Benito, Ca
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formula: Fe2 N
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formula: Fe3 C
compound: Synthetic
pub_title: The crystal structure of cementite Note: position of C was incorrectly guessed in this paper
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formula: (La.5 Ce.5) F O2
compound: Western Cheyenne Canyon, Colorado, USA
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pub_title:
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formula: (Ca Na) Sb2 O7 H
compound: St. Marcel, Piemont, Italy
pub_title: Die kristallstruktur von romeit und schneebergit
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formula: Ni S O10 H12
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pub_title: The crystal structure of nickel sulphate hexahydrate NiSO4 * 6H2O
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formula: Cu Sb S2
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pub_title: Strukturelle und morphologische zusammenhange bei erzen vom formeltyp ABC2
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formula: Pb2 Sb2 O7
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pub_title: Tetrossido di antimonio e antimoniati
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formula: Sb O2
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pub_title: Tetrossido di antimonio e antimoniati
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formula: Ca2 Sb2 O7
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pub_title: Tetrossido di antimonio e antimoniati
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formula: Sb2 S3
compound: <missing>
pub_title: Die struktur der minerale der animonitgruppe
formula_title: <missing>
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formula: Ni Br2
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pub_title: Die kristallstruktur des nickelbromids und -jodids
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formula: Ni I2
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pub_title: Die kristallstruktur des nickelbromids und -jodids
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formula: Cu K2 O2 Cl4 H4
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pub_title:
 Quantitative spectrometric studies of ammonium and of potassium cupric chloride
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pub_title:
 Quantitative Spectrometric studies of ammonium and of potassium cupric chloride
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formula: Cu3 As S4
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pub_title: The crystal structure of enargite, Cu3AsS4
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formula: Cu12 As4 S13
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formula_title: <missing>
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beta: 90
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 The crystal structure of binnite, (Cu,Fe)12As4S13, and the chemical composition
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 The atomic arrangement in ammonium and caesium persulphate (NH4)2S2O8 and
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pub_title:
 The atomic arrangement in ammonium and caesium persulphate (NH4)2S2O8 and
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pub_title: The crystal structures of some alkali hydrosulfides and monosulfides
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pub_title: The crystal structures of some alkali hydrosulfides and monosulfides
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pub_title: The crystal structures of some alkali hydrosulfides and monosulfides
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pub_title: The crystal structures of some alkali hydrosulfides and monosulfides
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pub_title: The crystal structures of some alkali hydrosulfides and monohydrides
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formula: K S
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pub_title: The crystal structures of some alkali hydrosulfides and monosulfides
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formula: Rb S
compound: <missing>
pub_title: The crystal structures of some alkali hydrosulfides and monosulfides
formula_title: RbSH
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b: 6.93
c: 6.93
alpha: 90
beta: 90
gamma: 90
cell_volume: 332.813
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formula: S K2
compound: <missing>
pub_title: The crystal structures of some alkali hydrosulfides and monosulfides
formula_title: K2S
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b: 7.35
c: 7.35
alpha: 90
beta: 90
gamma: 90
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formula: Co Cl2
compound: <missing>
pub_title: The structure and colour of anhydrous cobalt chloride, CoCl2, at room and very low temperatures
formula_title: CoCl2
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b: 6.16
c: 6.16
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formula: Li Cl O7 H6
compound: <missing>
pub_title: Crystal structures of some hydrated compounds
formula_title: LiClO4*3H2O
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formula: Li I (O3 H6)
compound: <missing>
pub_title: Crystal structures of some hydrated compounds
formula_title: LiI*3H2O
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c: 5.45
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formula: Si F6 N2
compound: <missing>
pub_title: Das kristallgitter von ammoniumhexafluorosilikat (NH4)2SiF6
formula_title: (NH4)2SiF6
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formula: N2 Be F4
compound: <missing>
pub_title: The crystal structure of ammonium beryllium fluoride, (NH4)2BeF4
formula_title: (NH4)2BeF4
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b: 10.2
c: 7.5
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beta: 90
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formula: Fe Ti O3
compound: Quincy, Massachusetts, USA
pub_title: The crystal structure of ilmenite
formula_title: <missing>
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b: 5.52
c: 5.52
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gamma: 54.83
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formula: Ni Ti O3
compound: <missing>
pub_title: Notes on some structures of the ilmenite type
formula_title: NiTiO3
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b: 5.45
c: 5.45
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formula: Cd Ti O3
compound: <missing>
pub_title: Notes on some structures of the ilmenite type
formula_title: CdTiO3
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c: 5.82
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formula: Pd N4 Cl2 (O H2)
compound: <missing>
pub_title: The crystal structure of tetramminopalladous chloride Pd(NH3)4Cl2*H2O
formula_title: Pd(NH3)4Cl2*H2O
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formula: Te (O6 H6)
compound: <missing>
pub_title: Das kristallgitter der tellursaure TeO6H6
formula_title: TeO6H6
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b: 7.83
c: 7.83
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formula: Mg3 Si4 O12 H2
compound: Harford County, Maryland, USA
pub_title: The crystal structures of talc and pyrophyllite
formula_title: <missing>
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b: 9.10
c: 18.81
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formula: Al Si2 O6 H
compound: Tres Cerritos, Mariposa County, California, USA
pub_title: The crystal structures of talc and pyrophyllite
formula_title: <missing>
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b: 8.90
c: 18.55
alpha: 90
beta: 99.92
gamma: 90
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formula: Mg5 Al2 Si3 O18 H8
compound: Miles City, Montana, USA
pub_title: The crystal structure of the chlorite minerals Note: originally called sheridanite
formula_title: <missing>
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b: 9.189
c: 28.5
alpha: 90
beta: 97.147
gamma: 90
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formula: Bi2 Te2 S
compound: Hungary
pub_title: The crystal structure of the mineral tetradymite, Bi2Te2S
formula_title: <missing>
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b: 10.33
c: 10.33
alpha: 24.17
beta: 24.17
gamma: 24.17
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crystal_density: 7.211
atoms_sites: ["Bi", "Te", "S"]
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formula: Mn S2
compound: <missing>
pub_title: A redetermination of the parameter for hauerite, MnS2
formula_title: <missing>
a: 6.097
b: 6.097
c: 6.097
alpha: 90
beta: 90
gamma: 90
cell_volume: 226.646
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formula: Cu2 Fe Sn S4
compound: Oruro, Bolivia
pub_title: The crystal structure of stannite, Cu2FeSnS4
formula_title: <missing>
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b: 5.46
c: 10.725
alpha: 90
beta: 90
gamma: 90
cell_volume: 319.729
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formula: Hg Cl2
compound: <missing>
pub_title: Die kristallstruktur des quecksilberchlorids HgCl2
formula_title: HgCl2
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b: 12.735
c: 4.325
alpha: 90
beta: 90
gamma: 90
cell_volume: 328.435
crystal_density: 10.981
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formula: Li2 S O5 H2
compound: <missing>
pub_title: The crystal structure of lithium sulphate mono-hydrate, Li2SO4*H2O
formula_title: Li2SO4*H2O
a: 5.44
b: 4.84
c: 8.16
alpha: 90
beta: 107.58
gamma: 90
cell_volume: 204.815
crystal_density: 2.075
atoms_sites: ["Li1", "Li2", "S", "O1", "O2", "O3", "O4", "Wat5"]
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formula: K2 S3 O6
compound: <missing>
formula_title: K2S3O6
a: 9.77
b: 13.63
c: 5.76
alpha: 90
beta: 90
gamma: 90
cell_volume: 767.031
crystal_density: 2.341
atoms_sites: ["K1", "K2", "S1", "S2", "S3", "O1", "O2", "O3", "O4"]
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pub_title:
 The atomic arrangement in potassium trithionate crystals K2S3O6 and the
 structure of the trithionate radical (S3O6)-2

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formula_title: <missing>
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pub_title:
 The crystal structure of nickel sulphate heptahydrate NiSO4*7H2O
 Note: hydrogen positions from Acta Crystallographica B24 (1968) 1131-1133
 Note: all atoms shifted .25, 0, 0

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compound: Synthetic
pub_title: Structure of the electrolytical oxide layer on aluminium Note: known as gamma-Al2O3
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formula: Al As O4
compound: <missing>
pub_title: Die kristallstruktur von tiefquarz SiO2 und aluminiumorthoarsenat AlAsO4
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compound: Synthetic
pub_title: Die kristallstruktur der cadmium-und quecksilber-diammin-dihalogenide
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pub_title: Die kristallstruktur der cadmium-und quecksilber-diammin-dihalogenide
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formula: Cd N2 Br2
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pub_title: Die kristallstruktur der cadmium-und quecksilber-diammin-dihalogenide
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formula: Hg N2 Cl2
compound: Synthetic
pub_title: Die kristallstruktur der cadmium-und quecksilber-diammin-dihalogenide
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formula: Mn O2
compound: Ilfeld, Germany
pub_title: The symmetry and crystal structure of manganite, Mn(OH)O
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formula: Ca6 Al7 O16
compound: <missing>
pub_title: Die struktur des pentacalciumtrialuminats
formula_title: <missing>
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formula: Pd S
compound: Synthetic
pub_title: The structure of braggite and palladium sulphide
formula_title: <missing>
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formula: Sb2 O3
compound: <missing>
pub_title: The crystal structure of valentinite
formula_title: <missing>
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c: 5.42
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formula: K B5 O12
compound: Synthetic
formula_title: <missing>
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b: 11.14
c: 8.97
alpha: 90
beta: 90
gamma: 90
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pub_title:
 The crystal structure of potassium acid dihydronium
 pentaborate KH2(H3O)2B5O10, (potassium pentaborate tetrahydrate)

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formula: Na Al As O4 F
compound: Durango, Mexico
pub_title: Uber die struktur des durangit NaAlF[AsO4]
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formula: Fe O2
compound: Synthetic
pub_title: Uber die kristallstruktur von alpha-AlOOH (diaspore) und alpha-Fe OOH(nadeleisenerz)
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formula: Al O2
compound: Synthetic
pub_title: Uber die kristallstruktur von alpha-AlOOH (diaspore). II. Fourieranalyse
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formula: Cu2 Se
compound: <missing>
pub_title: Gitterumwandlungen im system Cu2-x Se
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formula: Cu1.8 Se
compound: <missing>
pub_title: Gitterumwandlungen im System Cu2-x Se
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formula: (Fe Mn) O3
compound: <missing>
pub_title: Die kristallstruktur des bixbyits (Fe,Mn)2O3
formula_title: <missing>
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b: 9.40
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formula: Cu Ag Se
compound: Skrikerum, Sweden
pub_title: The crystallography of eucairite, CuAgSe Sample: orthorhombic subcell
formula_title: <missing>
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formula: Cu Ag Se
compound: Skrikerum, Sweden
pub_title: The crystallography of eucairite, CuAgSe Sample: tetragonal subcell
formula_title: <missing>
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formula: Hg Sb4 S8
compound: Guerrido, Mexico
pub_title: The crystal structure of livingstonite, HgSb4S8
formula_title: <missing>
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formula: Fe Pb4 Sb6 S14
compound: <missing>
pub_title: The crystal structure of jamesonite, FePb4Sb6S14
formula_title: <missing>
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formula: Pb Ag Sb S3
compound: Hiendelaencina, Spain
pub_title: Uber komplex zusammengesetzte sulfidische erze. II. Zur struktur des freieslebenits, PbAgSbS3
formula_title: <missing>
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c: 5.95
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formula: Mg Al26 O40
compound: <missing>
formula_title: MgAl26O40
a: 9.31
b: 5.64
c: 12.10
alpha: 90
beta: 100.77
gamma: 90
cell_volume: 624.160
crystal_density: 3.634
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pub_title:
 Die bestimmung einer bei der entmischung Al2O3-ubersattigter Mg-Al-Spinelle
 auftretenden zwischenstruktur

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formula: Ag2 S
compound: Freiberg, Saxony, Germany
pub_title: The crystallography of silver sulfide, Ag2S
formula_title: <missing>
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formula: Cu.25 Pb3.25 Sb1.75 S6
compound: <missing>
formula_title: <missing>
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b: 24.057
c: 4.128
alpha: 90
beta: 90
gamma: 90
cell_volume: 1128.429
crystal_density: 6.444
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pub_title:
 Uber komplex zusammengesetzte sulfidische erze VI.
 Zur kristallstruktur des meneghinits, CuPb13Sb7S24

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formula: C7 O H4
compound: <missing>
pub_title: Refinement of the structure of anthraquinone
formula_title: <missing>
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b: 3.942
c: 7.865
alpha: 90
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gamma: 90
cell_volume: 478.141
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formula: Sb2 S3
compound: Synthetic
pub_title: The crystal structure of stibnite. A redetermination of atomic positions
formula_title: <missing>
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b: 11.33
c: 3.83
alpha: 90
beta: 90
gamma: 90
cell_volume: 488.181
crystal_density: 4.622
atoms_sites: ["Sb1", "Sb2", "S1", "S2", "S3"]
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formula: Ca.2 Fe1.12 Mg.68 Si2 O6
compound: Asio Mine, Japan
pub_title: The crystal structures of clinoenstatite and pigeonite
formula_title: <missing>
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b: 8.953
c: 5.256
alpha: 90
beta: 71.45
gamma: 90
cell_volume: 434.121
crystal_density: 3.661
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formula: Mg Si O3
compound: Bishopville, South Carolina meteorite, heat-treated
pub_title: The crystal structures of clinoenstatite and pigeonite
formula_title: <missing>
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b: 8.825
c: 5.188
alpha: 90
beta: 71.67
gamma: 90
cell_volume: 418.095
crystal_density: 3.190
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formula: (Mn.85 Fe.15) Be P O5 H
compound: the Viitaniemi pegmatite in the parish of Erajarvi in central Finland
formula_title: <missing>
a: 5.411
b: 14.49
c: 4.730
alpha: 90
beta: 102.75
gamma: 90
cell_volume: 361.713
crystal_density: 3.233
atoms_sites: ["Mn", "Fe", "Be", "P", "O1", "O2", "O3", "O4", "O-H"]
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pub_title:
 The crystal structures and crystal chemistry of vayrynenite,
 (Mn,Fe)Be(PO4)(OH), and euclase, AlBe(SiO4)(OH)

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formula: Al Be Si O5 H
compound: Villa Rica, Minas Gerais, Brazil
formula_title: <missing>
a: 4.763
b: 14.29
c: 4.618
alpha: 90
beta: 100.25
gamma: 90
cell_volume: 309.300
crystal_density: 3.116
atoms_sites: ["Al", "Be", "Si", "O1", "O2", "O3", "O4", "O-H"]
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pub_title:
 The crystal structures and crystal chemistry of vayrynenite,
 (Mn,Fe)Be(PO4)(OH), and euclase, AlBe(SiO4)(OH)

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formula: N2 O3 H4
compound: <missing>
formula_title: <missing>
a: 7.98
b: 7.98
c: 9.78
alpha: 90
beta: 90
gamma: 90
cell_volume: 622.794
crystal_density: 1.707
atoms_occupancy: 0
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pub_title:
 The crystal structure of the low-temperature phase of NH4NO3(V) at -150 deg C
 Note: sample at T = -150 C, this is a low temperature form

atoms_sites:
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formula: Al2 O3
compound: Synthetic
pub_title: Refinement of the alpha Al2O3, Ti2O3, V2O3 and Cr2O3 structures
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formula: Ti2 O3
compound: Synthetic
pub_title: Refinement of the alpha Al2O3, Ti2O3, V2O3 and Cr2O3 structures
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formula: V2 O3
compound: Synthetic
pub_title: Refinement of the alpha Al2O3, Ti2O3, V2O3 and Cr2O3 structures
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formula: Cr2 O3
compound: Synthetic
pub_title: Refinement of the alpha Al2O3, Ti2O3, V2O3 and Cr2O3 structures
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formula: Ga
compound: <missing>
pub_title: A refinement of the crystal structure of gallium
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formula: Ca Mn Si2 O6
compound: Franklin, New Jersey, USA
pub_title: Determination and refinement of the crystal structure of bustamite, CaMnSi2O6
formula_title: <missing>
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formula: Mg S2 O14 N2 H20
compound: <missing>
pub_title: Crystal structure and hydrogen bonding of magnesium ammonium sulfate hexahydrate
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formula: Bi P O4
compound: Synthetic
pub_title: Polymorphic forms of bismuth phosphate
formula_title: <missing>
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formula: Bi P O4
compound: <missing>
formula_title: BiPO4
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b: 7.06
c: 4.71
alpha: 90
beta: 96.3
gamma: 90
cell_volume: 161.293
crystal_density: 6.258
atoms_sites: ["Bi", "P", "O1", "O2", "O3", "O4"]
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pub_title:
 Polymorphic forms of bismuth phosphate
 Note: this is a high-temperature form, with the monazite structure

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formula: K2 Ti6 O13
compound: Synthetic
pub_title: The crystal structure of potassium hexatitanate K2Ti6O13
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formula: Sn S O4
compound: <missing>
pub_title: The crystal structure of the anhydrous stannous sulphate
formula_title: SnSO4
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c: 7.115
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formula: Si O2
compound: <missing>
formula_title: <missing>
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b: 5.01
c: 5.47
alpha: 90
beta: 90
gamma: 120
cell_volume: 118.903
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pub_title:
 Die struktur des hochquarzes
 Note: sample is at T = 650 deg C
 Note: symmetry constraints on the temperature factors were applied incorrectly

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beta: 90
gamma: 120
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pub_title:
 Die struktur des hochquarzes
 Note: sample is at T = 650 deg C, under the false assumption that it is twinned

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formula: Zn2 Mn Si O6 H2
compound: Franklin, New Jersey
pub_title: The crystal structure of hodgkinsonite Zn2Mn[(OH)2|SiO4] Note: y(H2) corrected
formula_title: <missing>
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formula: (Al1.82 Cr.18) O3
compound: <missing>
pub_title: Strukturuntersuchungen im system Al2O3-Cr2O3
formula_title: <missing>
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b: 5.128
c: 5.128
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beta: 55.27
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formula: Cr2 O3
compound: <missing>
pub_title: Strukturuntersuchungen im system Al2O3-Cr2O3
formula_title: <missing>
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b: 5.359
c: 5.359
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formula: Zn.79 Mg.235 Al1.9 Fe.075 O4
compound: Falun, Sweden
pub_title: Strukturdaten von gahnit, ZnAl2O4
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b: 8.099
c: 8.099
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formula: As I3
compound: <missing>
pub_title: The crystal structure of arsenic triiodide, AsI3
formula_title: AsI3
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formula: As I3
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pub_title: The crystal structure of arsenic triiodide, AsI3
formula_title: AsI3
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pub_title: Determination and refinement of the crystal structure of turquois, CuAl6(PO4)4(OH)8*4H2O
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formula: Na2 S (O5 H10)
compound: <missing>
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formula_title: Na2S*5H2O
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formula: Na2 Se (O5 H10)
compound: <missing>
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formula_title: Na2Se(H2O)5
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formula: Na2 Te (O5 H10)
compound: <missing>
pub_title: Die kristallstruktur von Na2S*5H2O, Na2Se*5H2O und Na2Te*5H2O
formula_title: Na2Te(H2O)5
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formula: Pb Mo O4
compound: Los Lamentos, Mexico
pub_title: A neutron crystallographic investigation of lead molybdenum oxide, PbMoO4
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formula: Sr S O4
compound: France Stone Company's quarry near Waterville, Ohio, USA
pub_title: Refinement of the structure of celestite SrSO4
formula_title: <missing>
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b: 5.350
c: 6.873
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formula: Ba (Fe.5 Ti.5) Si2 O7
compound: Fresno County, California, USA
pub_title: The crystal structure of taramellite Ba2(Fe,Ti,Mg)2H2(O2(Si4O12))
formula_title: <missing>
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formula: (Pb Tl) As5 S9
compound: Lengenbach, Binnatal, Valais, Switzerland
pub_title: The crystal structure of hutchinsonite, (Tl,Pb)2As5S9
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formula: (K1.7 Na.3) Zr Si6 O15
compound: <missing>
pub_title: The crystal structure of dalyite
formula_title: <missing>
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c: 6.912
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formula: Si O2
compound: Ellora, Hyderabad, India
pub_title: Reinvestigation of the structure of low cristobalite
formula_title: <missing>
a: 4.978
b: 4.978
c: 6.948
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beta: 90
gamma: 90
cell_volume: 172.175
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formula: Co3 B2 O6
compound: <missing>
pub_title: Neutron-diffraction study of Co3B2O6
formula_title: Co3B2O6
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formula: V2 Ga5
compound: <missing>
pub_title: The crystal structure of V2Ga5
formula_title: V2Ga5
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formula: Mg K2 S2 O14 H12
compound: Synthetic
pub_title: Crystal structure of magnesium potassium sulfate hexahydrate MgK2(SO4)2*6(H2O)
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formula: La F3
compound: Synthetic
pub_title: Die kristallstruktur von lanthantrifluorid
formula_title: <missing>
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formula: Pb3 As5 S10
compound: Lengenbach quarry, Binnatal, Switzerland
pub_title: The crystal structure of rathite-I
formula_title: <missing>
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formula: Bi4 Si3 O12
compound: Synthetic
pub_title: Neutron-diffraction study of Bi4Si3O12
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formula: Zn2 P O5 H
compound: Broken Hill, Rhodesia
pub_title: The crystal structure of tarbuttite, Zn2(OH)PO4
formula_title: <missing>
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formula: Cu3 (As.685 Sb.315) S4
compound: Cerro de Pasco, Peru
pub_title: A refinement of the crystal structure of luzonite, Cu3AsS4
formula_title: <missing>
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b: 5.332
c: 10.570
alpha: 90
beta: 90
gamma: 90
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formula: Zn2 Cu As2 O8
compound: <missing>
pub_title: Die struktur des stranskiits Zn2Cu(AsO4)2
formula_title: <missing>
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b: 6.75
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formula: Pb Zn Si O4
compound: Franklin, New Jersey, USA
pub_title: Crystal structure of larsenite PbZnSiO4
formula_title: <missing>
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b: 18.96259
c: 5.06
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beta: 90
gamma: 90
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formula: Sc2 O3
compound: Synthetic
pub_title: Refinement of the structure of scandium sesquioxide
formula_title: <missing>
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b: 9.810
c: 9.810
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formula: Zn2 Si O5 H2
compound: sample is from the same batch of crystals used by
pub_title: Refinement of the structure of hemimorphite Barclay and Cox (1960) Note: Photographic Data
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formula: Fe W O4
compound: <missing>
pub_title: Untersuchungen zur kristallstruktur und magnetischen struktur des ferberits FeWO4
formula_title: <missing>
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b: 5.703
c: 4.952
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formula: Te O2
compound: Moctezuma, Mexico
pub_title: Verfeinerung der kristallstruktur von tellurit, dem rhomischen TeO2
formula_title: <missing>
a: 12.035
b: 5.464
c: 5.607
alpha: 90
beta: 90
gamma: 90
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formula: Ba N2 O6
compound: Synthetic
pub_title: Erneute strukturbestimmung von bariumnitrat mit neutronenbeugung
formula_title: <missing>
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b: 8.126
c: 8.126
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beta: 90
gamma: 90
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formula: (Cu6 Zn3) As4 S12
compound: Lengenbach, Binnatal, Switzerland
pub_title: The crystal structure of nowackiite, Cu6Zn3As4S12
formula_title: <missing>
a: 13.440
b: 13.440
c: 9.17
alpha: 90
beta: 90
gamma: 120
cell_volume: 1434.493
crystal_density: 4.382
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formula: Pb2 Cu (As.925 P.075) Cr O9 H
compound: Reneville, Congo
pub_title: The crystal structure of fornacite
formula_title: <missing>
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c: 17.547
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gamma: 90
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crystal_density: 6.300
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formula: K2 Ca S2 O9 H2
compound: Kalasz, Galicia
pub_title: The crystal structure of syngenite, K2Ca(SO4)2*(H2O)
formula_title: <missing>
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c: 6.25
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formula: Pb2 As2 S5
compound: Lengenbach, Binnatal, Switzerland
pub_title: The crystal structure of dufrenoysite, Pb16As16S40
formula_title: <missing>
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b: 25.74
c: 8.37
alpha: 90
beta: 90.35
gamma: 90
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formula: Fe4 As3 O21 H10
compound: Cornwall, England
formula_title: <missing>
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b: 7.9816
c: 7.9816
alpha: 90
beta: 90
gamma: 90
cell_volume: 508.475
crystal_density: 2.594
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pub_title:
 The structure and composition of the mineral pharmacosiderite
 Note: the K atom could not be located

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formula: (Mn.97 Fe.03) W O4
compound: Henderson, North Carolina, USA
pub_title: Kristallstruktur und magnetische ordnung des hubnerits, MnWO4 Note: T = 4.2 K
formula_title: <missing>
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b: 5.76
c: 4.97
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gamma: 90
cell_volume: 137.967
crystal_density: 7.289
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formula: (K.9 Na.06 Ca.02 Ba.02) Al2.53 Fe.08 Mg.08 Ti.01 Si3.3 O12 H2
compound: in granodiorite near Sunrise Copper Prospect, Sultan Basin,
pub_title: The crystal structure of 3T muscovite Snohomish County, Washington, USA
formula_title: <missing>
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b: 5.1963
c: 29.9705
alpha: 90
beta: 90
gamma: 120
cell_volume: 700.831
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formula: (Pb Tl) Ag As2 S5
compound: Lengenbach quarry, Binnatal, Switzerland
pub_title: The crystal structure of hatchite, PbTlAgAs2S5
formula_title: <missing>
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b: 7.84
c: 8.06
alpha: 66.42
beta: 63.33
gamma: 84.97
cell_volume: 481.860
crystal_density: 5.718
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formula: Ca2 Na H Si3 O9
compound: Erie railroad cut, Bergen Hill, New Jersey, USA
pub_title: Refinement of the structure of pectolite, Ca2NaHSi3O9
formula_title: <missing>
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b: 7.04
c: 7.025
alpha: 90.52
beta: 95.18
gamma: 102.47
cell_volume: 383.994
crystal_density: 2.875
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formula: Al O3 H3
compound: <missing>
pub_title: Verfeinerung der struktur des bayerits, Al(OH)3
formula_title: <missing>
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b: 8.671
c: 4.713
alpha: 90
beta: 90.27
gamma: 90
cell_volume: 206.864
crystal_density: 2.505
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formula: Cs B12 Be4 Al4 O28
compound: Manjaka, Madagascar
formula_title: <missing>
a: 7.319
b: 7.319
c: 7.319
alpha: 90
beta: 90
gamma: 90
cell_volume: 392.062
crystal_density: 3.620
atoms_sites: ["Cs", "B", "Be", "Al", "O1", "O2", "O3"]
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atoms_occupancy: 0
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atoms_aniso_label: ["Cs", "Be", "Al", "O1", "O2", "O3"]
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atoms_aniso_u23: AAAAAKgMAABwCAAACEgAALguAAC4ZQAA
pub_title:
 The crystal struture of rhodizite
 Note: name of mineral altered according to IMA decision in 1999
 to name the Cs dominant phase: londonite

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formula: Ba Fe12 O19
compound: <missing>
pub_title: The crystal structure and refinement of ferrimagnetic barium ferrite, BaFe12O19
formula_title: <missing>
a: 5.893
b: 5.893
c: 23.194
alpha: 90
beta: 90
gamma: 120
cell_volume: 697.556
crystal_density: 5.292
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formula: Pb Ag As S3
compound: Lengenbach quarry, Binnatal, Switzerland
pub_title: The crystal structure of marrite, PbAgAsS3
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formula: (Na.667 Ca.222 Mg.111) Cl2
compound: <missing>
formula_title: <missing>
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beta: 90
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pub_title:
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 inkommensurablen teilgittern
 Note: one of two substructures in koenenite

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formula: (Mg.636 Al.364) (O2 H2)
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formula_title: <missing>
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pub_title:
 Die kristallstruktur des koenenits, eine doppelschichtstruktur mit zwei
 inkommensurablen teilgittern
 Note: one of two substructures in koenenite

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formula: Li2 (Si.5 Ge1.5) O5
compound: <missing>
pub_title: Die kristallstruktur von Li2(Si0.25Ge0.75)2O5
formula_title: Li2(Si.25Ge.75)2O5
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formula: Li (Al Si2) O6
compound: Synthetic
formula_title: <missing>
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c: 9.156
alpha: 90
beta: 90
gamma: 90
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pub_title:
 The crystal structure LiAlSi2O6-II ("beta spodumene")
 Note, y coordinate of Si1 altered according to Clarke and Spink (1969)

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formula: Pb Si O3
compound: Alamos, Sonora, Mexico
pub_title: The crystal structure of alamosite, PbSiO3
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formula: Pb2 Cu Cr P O9 H
compound: Beresov, Ural Mountains, Russia
pub_title: The crystal structure of vauquelinite and the relationships to fornacite
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formula: Al3 P2 O16 H13
compound: Montgomery County, Arkansas, USA
pub_title: The crystal structure of wavellite
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formula: Al11 Na O17
compound: <missing>
pub_title: The alkali problem in the crystal structure of beta alumina
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formula: Rh3 Se8
compound: <missing>
pub_title: The crystal structure of pyrite-related Rh3Se8
formula_title: Rh3Se8
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b: 5.9648
c: 5.9648
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formula: Bi Mn2 O5
compound: <missing>
pub_title: The crystal structures of Bi2Mn4O10, Bi2Al4O9 and Bi2Fe4O9
formula_title: Bi2Mn4O10
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b: 8.534
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beta: 90
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formula: Bi2 Al4 O9
compound: <missing>
pub_title: The crystal structures of Bi2Mn4O10, Bi2Al4O9 and Bi2Fe4O9
formula_title: Bi2Al4O9
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b: 8.112
c: 5.708
alpha: 90
beta: 90
gamma: 90
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formula: Bi2 Fe4 O9
compound: <missing>
pub_title: The crystal structures of Bi2Mn4O10, Bi2Al4O9 and Bi2Fe4O9
formula_title: Bi2Fe4O9
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b: 8.428
c: 6.005
alpha: 90
beta: 90
gamma: 90
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crystal_density: 6.519
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formula: (K.85 Na.15) (Al Si2) O6
compound: Vesuvius, Italy
formula_title: <missing>
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b: 13.53
c: 13.53
alpha: 90
beta: 90
gamma: 90
cell_volume: 2476.814
crystal_density: 2.315
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pub_title:
 A high temperature single crystal diffractometer study of leucite, (K,Na)AlSi2O6
 Sample: T = 635 C
 Note: cell parameters were not reported in the paper. A value was chosen
 that reproduced the reported bond lengths and thermal ellipsoid axes.

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formula: Fe S O8 H7
compound: Quetena, Chile
pub_title: The crystal structure of amarantite, Fe2(SO4)2O*7H2O
formula_title: <missing>
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b: 11.678
c: 6.698
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formula: Ca Si O3
compound: Crestmore, California, USA
pub_title: The crystal structure of parawollastonite
formula_title: <missing>
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b: 7.320
c: 7.066
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formula: Li.333 (Al.333 Si.667) O2
compound: <missing>
pub_title: The crystal structure of LiAlSi2O6 III (high-quartz solid solution)
formula_title: <missing>
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b: 5.217
c: 5.464
alpha: 90
beta: 90
gamma: 120
cell_volume: 128.790
crystal_density: 2.399
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formula: (Pb Tl) Cu As2 S5
compound: Lengenbach quarry, Binnatal, Switzerland
pub_title: The crystal structure of wallisite, PbTlCuAs2S5, the Cu analogue of hatchite PbTlAgAs2S5
formula_title: <missing>
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b: 8.524
c: 7.980
alpha: 55.983
beta: 62.500
gamma: 69.400
cell_volume: 457.105
crystal_density: 5.706
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formula: Li4 Ge O4
compound: <missing>
pub_title: Die kristallstruktur von Li4GeO4
formula_title: Li4GeO4
a: 7.76
b: 6.05
c: 7.36
alpha: 90
beta: 90
gamma: 90
cell_volume: 345.537
crystal_density: 3.160
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formula: Hg I2
compound: Synthetic
formula_title: <missing>
a: 8.776
b: 8.776
c: 24.732
alpha: 90
beta: 90
gamma: 90
cell_volume: 1904.813
crystal_density: 6.338
atoms_sites: ["Hg", "I1", "I2", "I3"]
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pub_title:
 The crystal structure and one-dimensional disorder of the orange
 modification of HgI2
 Note: this is a polymorph of coccinite

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formula: Pb Ca2 Si3 O9
compound: Parker Shaft, North Mine Hill, Franklin, New Jersey, USA
pub_title: Determination and refinement of the crystal structure of margarosanite, PbCa2Si3O9
formula_title: <missing>
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beta: 102.98
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formula: Pb9 As4 S15
compound: Wiesloch, Germany
pub_title: Neubestimmung der kristallstruktur von gratonit, Pb9As4S15
formula_title: <missing>
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b: 17.758
c: 7.807
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beta: 90
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formula: K6 Na3 (Al9 Si27) O93 H42
compound: Synthetic
pub_title: The crystal structure of the synthetic zeolite L
formula_title: <missing>
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b: 18.40
c: 7.52
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formula: Li2 Zn Cl4 (O2 H4)
compound: <missing>
pub_title: Die kristallstruktur des Li2ZnCl4*2H2O
formula_title: Li2ZnCl4*2H2O
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b: 11.98
c: 6.44
alpha: 90
beta: 90
gamma: 90
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crystal_density: 2.162
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formula: Pt12 Si5
compound: <missing>
pub_title: Kristallstruktur von Pt12Si5
formula_title: Pt12Si5
a: 13.404
b: 13.404
c: 5.451
alpha: 90
beta: 90
gamma: 90
cell_volume: 979.366
crystal_density: 16.829
atoms_sites: ["Pt1", "Pt2", "Pt3", "Pt4", "Pt5", "Pt6", "Si1", "Si2", "Si3", "Si4"]
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formula: Sr (O2 H2)
compound: <missing>
pub_title: Neue AB2-strukturtypen mit siebenfach koordiniertem kation
formula_title: Sr(OH)2
a: 9.889
b: 6.1202
c: 3.9184
alpha: 90
beta: 90
gamma: 90
cell_volume: 237.152
crystal_density: 3.407
atoms_sites: ["Sr", "O-H1", "O-H2"]
atoms_x: UNgJAOAbGACghRYA
atoms_y: cNoFAAD/FACgwvf/
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formula: Eu I2
compound: <missing>
pub_title: Neue AB2-strukturtypen mit siebenfach koordiniertem kation
formula_title: EuI2
a: 7.64
b: 8.26
c: 7.88
alpha: 90
beta: 98.
gamma: 90
cell_volume: 492.439
crystal_density: 5.473
atoms_sites: ["Eu", "I1", "I2"]
atoms_x: oAwNABB4GACwVPv/
atoms_y: EE0bANCrBgDAehAA
atoms_z: wKASAOArDQBws///
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formula: Sr I2
compound: <missing>
pub_title: Neue AB2-strukturtypen mit siebenfach koordiniertem kation
formula_title: SrI2
a: 15.22
b: 8.22
c: 7.90
alpha: 90
beta: 90
gamma: 90
cell_volume: 988.356
crystal_density: 4.589
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formula: Mg Si O3
compound: Bishopville meteorite
pub_title: The crystal structure of orthoenstatite
formula_title: <missing>
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b: 8.812
c: 5.178
alpha: 90
beta: 90
gamma: 90
cell_volume: 830.896
crystal_density: 3.210
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formula: Ba N6
compound: <missing>
pub_title: Strukturuntersuchungen an bariumazid Ba(N3)2
formula_title: Ba(N3)2
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b: 4.41
c: 5.43
alpha: 90
beta: 99.57
gamma: 90
cell_volume: 227.394
crystal_density: 3.233
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formula: Ag As S2
compound: Lengenbach quarry, Binnatal, Canton Wallis, Switzerland
pub_title: The crystal structure of trechmannite, AgAsS2
formula_title: <missing>
a: 13.98
b: 13.98
c: 9.12
alpha: 90
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gamma: 120
cell_volume: 1543.618
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formula: Pb11.62 As16.6 S36
compound: Lengenbach quarry, Binnatal, Canton Wallis, Switzerland
pub_title: Die kristallstruktur von baumhauerit
formula_title: <missing>
a: 22.800
b: 8.357
c: 7.894
alpha: 90.05
beta: 97.27
gamma: 89.92
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formula: Ba Ti Si3 O9
compound: <missing>
formula_title: <missing>
a: 6.6410
b: 6.6410
c: 9.759
alpha: 90
beta: 90
gamma: 120
cell_volume: 372.737
crystal_density: 3.684
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pub_title:
 Verfeinerung der kristallstruktur von benitoit BaTi[Si3O9]
 Sample: Dallas Gem Mine, San Benito, Ca

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formula: Cu La O2
compound: <missing>
pub_title: Cu1+-haltige doppeloxide mit seltenen erdmetallen
formula_title: CuLaO2
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b: 3.83
c: 17.10
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formula: Cu Pr O2
compound: <missing>
pub_title: Cu1+-haltige doppeloxide mit seltenen erdmetallen
formula_title: CuPrO2
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b: 3.75
c: 17.09
alpha: 90
beta: 90
gamma: 120
cell_volume: 208.130
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formula: Cu Nd O2
compound: <missing>
pub_title: Cu1+-haltige doppeloxide mit seltenen erdmetallen
formula_title: CuNdO2
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b: 3.71
c: 17.10
alpha: 90
beta: 90
gamma: 120
cell_volume: 203.833
crystal_density: 5.860
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formula: Cu Sm O2
compound: <missing>
pub_title: Cu1+-haltige doppeloxide mit seltenen erdmetallen
formula_title: CuSmO2
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b: 3.66
c: 17.08
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formula: Cu Eu O2
compound: <missing>
pub_title: Cu1+-haltige doppeloxide mit seltenen erdmetallen
formula_title: CuEuO2
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b: 3.63
c: 17.07
alpha: 90
beta: 90
gamma: 120
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formula: (Cs1.5 Na.5) (Si4 Al2) O12.5 H
compound: Rumford, Maine, USA
pub_title: The crystal structure and chemical composition of pollucite
formula_title: <missing>
a: 13.69
b: 13.69
c: 13.69
alpha: 90
beta: 90
gamma: 90
cell_volume: 2565.726
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formula: Zn N2 O8 H4
compound: <missing>
pub_title: Die kristallstruktur von Zn(NO3)2*2H2O
formula_title: Zn(NO3)2(H2O)2
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b: 5.978
c: 8.557
alpha: 90
beta: 91.03
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crystal_density: 2.544
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formula: Si O2
compound: Synthetic
pub_title: Refinement of a coesite structure
formula_title: <missing>
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b: 12.328
c: 7.175
alpha: 90
beta: 120.00
gamma: 90
cell_volume: 549.472
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formula: Mn3 Fe2 Ge3 O12
compound: <missing>
pub_title: Crystal structure of the garnet {Mn3}[Fe2](Ge3)O12
formula_title: Mn3Fe2Ge3O12
a: 12.087
b: 12.087
c: 12.087
alpha: 90
beta: 90
gamma: 90
cell_volume: 1765.857
crystal_density: 5.163
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formula: (Mn.95 Fe.25 Ca.1 Mg.7) P O4 F
compound: Mica Lode, Colorado, USA
pub_title: The crystal structure of triplite, (Mn,Fe)2FPO4
formula_title: <missing>
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b: 6.454
c: 9.937
alpha: 90
beta: 107.093
gamma: 90
cell_volume: 739.591
crystal_density: 3.613
atoms_sites: ["Mn1", "Fe1", "Ca1", "Mg1", "Mn2", "Fe2", "Ca2", "Mg2", "P", "O1", "O2", "O3", "O4", "F1", "F2"]
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formula: Pb2 As2 S5
compound: Lengenbach, Binnatal, Switzerland
pub_title: Dreidimensionale verfeinerung der kristallstruktur von dufrenoysit, Pb8As8S20
formula_title: <missing>
a: 7.90
b: 25.740
c: 8.37
alpha: 90
beta: 90.35
gamma: 90
cell_volume: 1701.974
crystal_density: 5.655
atoms_occupancy: 0
atoms_u_iso: 0
atoms_sites:
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formula: Mn Ge O3
compound: <missing>
formula_title: MnGeO3
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b: 9.248
c: 5.477
alpha: 90
beta: 90
gamma: 90
cell_volume: 975.899
crystal_density: 4.779
atoms_sites: ["Mn1", "Mn2", "Ge1", "Ge2", "O1", "O2", "O3", "O4", "O5", "O6"]
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pub_title:
 The crystal structure of manganese metagermanate, MnGeO3
 Note: x coordinate of O6 altered to a reasonable value

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formula: K Zr2 P3 O12
compound: Synthetic
pub_title: The crystal structure of KZr2(PO4)3
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compound: Synthetic
formula_title: CaSiO3
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beta: 76.133
gamma: 70.383
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crystal_density: 3.064
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pub_title:
 The crystal structure of a high pressure polymorph of CaSiO3
 Note: high-pressure polymorph of wollastonite synthesized at 6.5 GPa, 1300 C

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formula: Pb Cu As S3
compound: <missing>
pub_title: On the crystal structures of seligmannite, PbCuAsS3, and related minerals
formula_title: <missing>
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formula: Zn3 P2 O12 H8
compound: not given
pub_title: Refinement of the crystal structure of parahopeite
formula_title: <missing>
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b: 7.550
c: 5.276
alpha: 93.417
beta: 91.183
gamma: 91.367
cell_volume: 229.232
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formula: Li (Al Si2) O6
compound: Synthetic
pub_title: The crystal structure of beta spodumene, LiAlSi2O6-II
formula_title: <missing>
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b: 7.543
c: 9.158
alpha: 90
beta: 90
gamma: 90
cell_volume: 520.440
crystal_density: 2.375
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formula: Ca2 Zn Si2 O7
compound: Franklin, New Jersey, USA
pub_title: Refinement of the crystal structure of hardystonite, Ca2ZnSi2O7
formula_title: <missing>
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b: 7.8279
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beta: 90
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formula: Ba2 Ti Si2 O8
compound: sanbornite deposits of eastern Fresno County, California, USA
pub_title: The crystal structure of fresnoite, Ba2(TiO)Si2O7 Positive polarity
formula_title: <missing>
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b: 8.518
c: 5.211
alpha: 90
beta: 90
gamma: 90
cell_volume: 378.091
crystal_density: 4.451
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formula: Ba2 Ti Si2 O8
compound: sanbornite deposits of eastern Fresno County, California, USA
pub_title: The crystal structure of fresnoite, Ba2(TiO)Si2O7 Negative polarity
formula_title: <missing>
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b: 8.518
c: 5.211
alpha: 90
beta: 90
gamma: 90
cell_volume: 378.091
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formula: (Mn1.5 Fe.5) P O5 H
compound: Branchville, Connecticut, USA
formula_title: <missing>
a: 12.366
b: 13.276
c: 9.943
alpha: 90
beta: 108.23
gamma: 90
cell_volume: 1550.422
crystal_density: 3.810
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pub_title:
 The crystal structure of triploidite and its relation to the structures
 of other minerals of the triplite-triploidite group
 Refinement with reflections for which I > 1.2Imin, this is the poorer refinement

atoms_sites:
["Mn1", "Fe1", "Mn2", "Fe2", "Mn3", "Fe3", "Mn4", "Fe4", "Mn5", "Fe5", "Mn6", "Fe6", "Mn7", "Fe7", "Mn8", "Fe8", "P1", "P2", "P3", "P4", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "O16", "O-H17", "O-H18", "O-H19", "O-H20"]

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formula: (Mn1.5 Fe.5) P O5 H
compound: Branchville, Connecticut, USA
formula_title: <missing>
a: 12.366
b: 13.276
c: 9.943
alpha: 90
beta: 108.23
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cell_volume: 1550.422
crystal_density: 3.810
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pub_title:
 The crystal structure of triploidite and its relation to the structures
 of other minerals of the triplite-triploidite group
 Refinement with all F_o's, this is the better refinement

atoms_sites:
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formula: Ba3 V2 O8
compound: <missing>
pub_title: The structure of Ba3(VO4)2
formula_title: <missing>
a: 7.837
b: 7.837
c: 7.837
alpha: 43.14
beta: 43.14
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cell_volume: 204.048
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formula: Zn3 B2 O6
compound: <missing>
pub_title: The space group and crystal structure of trizinc diorthoborate
formula_title: Zn3(BO3)2
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formula: (Ca Na) Al Si2 O7
compound: Synthetic
pub_title: The crystal structure of synthetic soda melilite, CaNaAlSi2O7
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formula: Pb18.5 As25.25 S56
compound: Lengenbach, Binnatal, Switzerland
pub_title: Die kristallstruktur von rathit-II [As25 S56|PbVII6.5 PBIX12]
formula_title: <missing>
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b: 70.49
c: 7.914
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crystal_density: 5.349
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formula: Pb Sb Cu S3
compound: Kanton Graubunden
formula_title: <missing>
a: 8.153
b: 8.692
c: 7.793
alpha: 90
beta: 90
gamma: 90
cell_volume: 552.258
crystal_density: 5.878
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pub_title:
 Verfeinerung der kristallstruktur von bournonit [SbS3)2|Cu(IV)2PB(VII)Pb(VIII)]
 und von seligmannit [(AsS3)2)|Cu(IV)2Pb(VII)PB(VIII)]

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formula: Sr C O3
compound: <missing>
pub_title: Zur kristallstruktur von strontianit, SrCO3
formula_title: <missing>
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c: 8.376
alpha: 90
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gamma: 90
cell_volume: 256.807
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formula: Pb As Cu S3
compound: Lengenbach, Binnatal, Switzerland
formula_title: <missing>
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b: 8.737
c: 7.634
alpha: 90
beta: 90
gamma: 90
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pub_title:
 Verfeinerung der kristallstruktur von bournonit [SbS3)2|Cu(IV)2PB(VII)Pb(VIII)]
 und von seligmannit [(AsS3)2)|Cu(IV)2Pb(VII)PB(VIII)]

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formula: Bi S3 Cu Pb
compound: Beresowsk, Ural
pub_title: A redetermination of the crystal structure of aikinite [BiS2|S|CuIVPbVII]
formula_title: <missing>
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b: 4.039
c: 11.319
alpha: 90
beta: 90
gamma: 90
cell_volume: 532.060
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formula: Pb2 S O5
compound: Synthetic
pub_title: Zur kristallstruktur von lanarkit, Pb2O(SO4)
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formula: Ca B3 (O6 H)
compound: salt deposits near Diepholz, Germany
formula_title: <missing>
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b: 10.488
c: 6.365
alpha: 90
beta: 113.38
gamma: 90
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pub_title:
 Crystal structure of fabianite, CaB3O5(OH), and comparison with the
 structure of its syntheic dimorph

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formula: Cu Fe2 S3
compound: <missing>
formula_title: <missing>
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b: 11.1201
c: 6.2336
alpha: 90
beta: 90
gamma: 90
cell_volume: 448.344
crystal_density: 4.021
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pub_title:
 Refinement of the crystal structure of
 cubanite and polymorphism of CuFe2S3
 Sample: anisotropic refinement
 Note: x(S1) corrected

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formula: Cu Fe2 S3
compound: <missing>
formula_title: <missing>
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b: 11.1201
c: 6.2336
alpha: 90
beta: 90
gamma: 90
cell_volume: 448.344
crystal_density: 4.021
atoms_sites: ["Cu", "Fe", "S1", "S2"]
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pub_title:
 Refinement of the crystal structure of
 cubanite and polymorphism of CuFe2S3
 Sample: isotropic refinement

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formula: (Na.821 Ca.179) (Al1.179 Si2.821) O8
compound: Camedo, Switzerland
pub_title: The crystal structures of two oligoclases: a comparison with low and high albite Sample: An16
formula_title: <missing>
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b: 12.823
c: 7.139
alpha: 94.06
beta: 116.50
gamma: 88.59
cell_volume: 666.322
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pub_title: The crystal structures of two oligoclases: a comparison with low and high albite Sample: An28
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compound: <missing>
pub_title: A refinement of the structure of anorthite _cod_database_code 1000034
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formula: Pb Mn O3 H
compound: Langban, Sweden
pub_title: The crystal structure of quenselite
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pub_title: The crystal structure of vrbaite, Hg3Tl4As8Sb2S20
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formula: Mg Fe4 S6 O46 H42
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pub_title: Crystal structure and hydrogen bonding of copiapite
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formula: Sr O10 N2 H8
compound: <missing>
pub_title: Die Kristallstruktur von strontiumnitrat-tetrahydrat, Sr(NO3)2*4H2O
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formula: Na2 (Al2 Si4) O14 H4
compound: Cyclopean Islands, Catania Province, Sicily, Italy
formula_title: <missing>
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b: 13.73
c: 13.73
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beta: 90
gamma: 90
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pub_title:
 A neutron-diffraction study of the crystal structure of analcime, NaAlSi2O6*H2O
 Note: z(O1) corrected to match reported bond lengths

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formula: Sb2 S3
compound: <missing>
pub_title: Refinement of the crystal structure of stibnite, Sb2S3
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formula: Ca1.925 Mn.3 Na.015 K.015 Fe1.615 Mg.13 Al.09 Si4.915 (O15 H)
compound: Yakuki mine, Japan
pub_title: Crystal structure of babingtonite
formula_title: <missing>
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b: 11.697
c: 6.719
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beta: 93.886
gamma: 104.255
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formula: Fe.741 Al4.374 Ti.037 Si1.856 Mg.196 Mn.019 O12 H2
compound: <missing>
formula_title: <missing>
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b: 16.635
c: 5.664
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pub_title:
 The hydrogen locations and chemical composition of staurolite
 Note: this paper uses Smith's structure (Am Min 53 (1968) 1139-1155)
 and adds the hydrogen locations to it

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pub_title: Refinement of the crystal structures of realgar, AsS and orpiment, As2S3
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pub_title: Refinement of the crystal structures of realgar, AsS and orpiment, As2S3
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formula: K2.19 Ba6.68 (Al18 Si18) O111.6 H55.2
compound: Synthetic
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formula: Ti O2
compound: Lengenbach quarry, Binnatal, Switzerland
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formula: Ti O2
compound: Lengenbach quarry, Binnatal, Switzerland
pub_title: Refinement of the structure of anatase at several temperatures Sample: T = 300 C
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formula: Ti O2
compound: Lengenbach quarry, Binnatal, Switzerland
pub_title: Refinement of the structure of anatase at several temperatures Sample: T = 600 C
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formula: Ti O2
compound: Lengenbach quarry, Binnatal, Switzerland
pub_title: Refinement of the structure of anatase at several temperatures Sample: T = 800 C
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formula: Ge2 P2 O10 H2
compound: <missing>
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formula_title: Ge(OH)PO4
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formula: K (Al Si3) O8
compound: Volkesfeld, Eifel
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formula: Ba3.96 Ca4.92 Al13.018 Si6.982 O51.74 S3 H2.48
compound: Cava Mergozzoni, Candoglia, Norvara, Italy
pub_title: The structure of wenkite
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formula: Mg3 B7 O13 Cl
compound: Solvayshall, Roschwitz, Germany
formula_title: <missing>
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gamma: 90
cell_volume: 883.800
crystal_density: 2.946
atoms_occupancy: 0
pub_title:
 Crystal-structure refinements for orthorhombic boracite,
 Mg3B7O13Cl, and a trigonal, iron-rich analogue
 Note: [.25 .25 0] added to all atoms to move origin to screw axis

atoms_sites:
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formula: (Fe2.4 Mg.6) B7 O13 Cl
compound: Bischofferode, Thuringen, Germany
formula_title: <missing>
a: 8.612
b: 8.612
c: 21.0650
alpha: 90
beta: 90
gamma: 120
cell_volume: 1353.007
crystal_density: 3.444
atoms_sites: ["Fe", "Mg", "B11", "B2", "B3", "O1", "O21", "O22", "O23", "O24", "Cl"]
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pub_title:
 Crystal-structure refinements for orthorhombic boracite,
 Mg3B7O13Cl, and a trigonal, iron-rich analogue

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formula: Tl As S2
compound: <missing>
pub_title: The crystal structure and bonding of lorandite, Tl2As2S4
formula_title: <missing>
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b: 11.30
c: 6.10
alpha: 90
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gamma: 90
cell_volume: 819.499
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formula: Si O2
compound: Ellora Caves, Hyderabad State, India
formula_title: <missing>
a: 4.979
b: 4.979
c: 6.950
alpha: 90
beta: 90
gamma: 90
cell_volume: 172.294
crystal_density: 2.316
atoms_sites: ["Si", "O"]
atoms_x: KFISAECdDgA=
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atoms_aniso_u13: kAsAAJBHAAA=
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pub_title:
 High-temperature single-crystal study of the cristobalite inversion
 Note: Cell has been corrected
 Sample: T = 28 C

qdat:
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formula: Si O2
compound: Ellora Caves, Hyderabad State, India
formula_title: <missing>
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b: 4.982
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alpha: 90
beta: 90
gamma: 90
cell_volume: 172.824
crystal_density: 2.309
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pub_title:
 High-temperature single-crystal study of the cristobalite inversion
 Note: Cell has been corrected
 Sample: T = 65 C

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formula: Si O2
compound: Ellora Caves, Hyderabad State, India
formula_title: <missing>
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alpha: 90
beta: 90
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pub_title:
 High-temperature single-crystal study of the cristobalite inversion
 Note: Cell has been corrected
 Sample: T = 103 C

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formula: Si O2
compound: Ellora Caves, Hyderabad State, India
formula_title: <missing>
a: 4.989
b: 4.989
c: 6.991
alpha: 90
beta: 90
gamma: 90
cell_volume: 174.007
crystal_density: 2.294
atoms_sites: ["Si", "O"]
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pub_title:
 High-temperature single-crystal study of the cristobalite inversion
 Note: Cell has been corrected
 Sample: T = 142 C

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formula: Si O2
compound: Ellora Caves, Hyderabad State, India
formula_title: <missing>
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alpha: 90
beta: 90
gamma: 90
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pub_title:
 High-temperature single-crystal study of the cristobalite inversion
 Note: Cell has been corrected
 Sample: T = 179 C

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formula: Si O2
compound: Ellora Caves, Hyderabad State, India
formula_title: <missing>
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b: 4.996
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alpha: 90
beta: 90
gamma: 90
cell_volume: 175.119
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pub_title:
 High-temperature single-crystal study of the cristobalite inversion
 Note: Cell has been corrected
 Sample: T = 210 C

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formula: Si O2
compound: Ellora Caves, Hyderabad State, India
pub_title: High-temperature single-crystal study of the cristobalite inversion Sample: T = 221 C
formula_title: <missing>
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formula: Si O2
compound: Ellora Caves, Hyderabad State, India
pub_title: High-temperature single-crystal study of the cristobalite inversion Sample: T = 221 C
formula_title: <missing>
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formula: Mn2 Na Si3 O9 H
compound: Tanohata mine, Japan
formula_title: <missing>
a: 7.683
b: 6.889
c: 6.747
alpha: 90.53
beta: 94.12
gamma: 102.75
cell_volume: 347.285
crystal_density: 3.463
atoms_sites: ["Mn1", "Mn2", "Na1", "Si1", "Si2", "Si3", "O1", "O2", "O-H3", "O4", "O5", "O6", "O7", "O8", "O9"]
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pub_title:
 The interpretation of partial Patterson functions and its application
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formula: Ba Na2 (Al4 Si4) O16
compound: <missing>
formula_title: <missing>
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b: 9.983
c: 16.755
alpha: 90
beta: 90
gamma: 90
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pub_title:
 The interpretation of partial Patterson functions and its application to
 structure analyses of serandite Mn2NaHSi3O9 and banalsite BaNa2Al4Si4O16

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formula: Pb Ag Sb S3
compound: Vascongadas, Spain
pub_title: The crystal structure of freieslebenite, PbAgSbS3
formula_title: <missing>
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b: 12.809
c: 5.940
alpha: 90
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gamma: 90
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formula: Al O3 H3
compound: Langesundfjord, Norway
pub_title: Refinement of the crystal structure of gibbsite, Al(OH)3
formula_title: <missing>
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formula: Pb13.88 As6 S23
compound: Binnatal, Switzerland
pub_title: The crystal structure of jordanite, Pb28As12S46
formula_title: <missing>
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b: 31.899
c: 8.462
alpha: 90
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gamma: 90
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formula: Pb5 Sb8 S17
compound: Wolfsberg, Harz, Germany
formula_title: <missing>
a: 13.4857
b: 11.8656
c: 19.9834
alpha: 90
beta: 107.168
gamma: 90
cell_volume: 3055.185
crystal_density: 5.555
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pub_title:
 The crystal structure of plagionite, Pb5Sb8S17,
 the second member in the homologous series Pb3+2nSb8S15+2n

atoms_sites:
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formula: Mn Sb2 Ag4 S6
compound: Andreasberg, Harz, Germany
pub_title: Verfeinerung der kristallstruktur von samsonit (SbS3)2Ag2Ag2Mn
formula_title: <missing>
a: 10.362
b: 8.101
c: 6.647
alpha: 90
beta: 92.63
gamma: 90
cell_volume: 557.378
crystal_density: 5.495
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formula: Bi4 Pb4 S10 Cu.12
compound: Cariboo gold mines, Wells, British Columbia, Canada
pub_title: A redetermination of the crystal structure of cosalite, Pb2Bi2S5
formula_title: <missing>
a: 19.098
b: 23.89
c: 4.057
alpha: 90
beta: 90
gamma: 90
cell_volume: 1851.011
crystal_density: 7.152
atoms_u_iso: 0
atoms_sites:
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formula: Cu.333 Fe.667 S
compound: Strathcona mine, Sudbury, Ontario
pub_title: The crystal structure of high-temperature CuFe2S3
formula_title: <missing>
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b: 5.296
c: 5.296
alpha: 90
beta: 90
gamma: 90
cell_volume: 148.540
crystal_density: 4.046
atoms_sites: ["Cu1", "Fe1", "Cu2", "Fe2", "S"]
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formula: Sr Na P3 O12
compound: <missing>
formula_title: H6 Na O12 P3 Sr
a: 16.167
b: 12.013
c: 10.615
alpha: 90
beta: 90
gamma: 90
cell_volume: 2061.583
crystal_density: 2.549
atoms_occupancy: 0
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pub_title:
 Structure cristalline du trimetaphosphate de strontium sodium
 trihydrate. Sr Na P3 O9 (H2 O)3
 _cod_database_code 1007033

atoms_sites:
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formula: Hg3 P2 O8
compound: <missing>
pub_title: The crystal structure of mercury(II)phosphate, Hg3(PO4)2
formula_title: Hg3(PO4)2
a: 9.737
b: 11.466
c: 6.406
alpha: 90
beta: 99.51
gamma: 90
cell_volume: 705.365
crystal_density: 7.455
atoms_sites: ["Hg1", "Hg2", "Hg3", "P1", "P2", "O11", "O12", "O13", "O14", "O21", "O22", "O23", "O24"]
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formula: Pb4.51 Sb10.5 S20.25
compound: <missing>
formula_title: <missing>
a: 22.148
b: 22.148
c: 4.333
alpha: 90
beta: 90
gamma: 120
cell_volume: 1840.723
crystal_density: 5.164
atoms_sites: ["Pb1", "Pb2", "Pb3", "Sb4", "Pb4", "Sb1", "Sb2", "Sb3", "S1", "S2", "S3", "S4", "S5", "S6", "S7"]
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atoms_aniso_label: ["Pb1", "Sb4", "Pb4", "Sb1", "Sb2", "Sb3"]
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pub_title:
 Refinement of the crystal structure of zinckenite, Pb6Sb14S27
 Sample: Bolivar mine, Cerro Bonete, Bolivia

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formula: Si O8 C8
compound: <missing>
pub_title: Die kristallstruktur des silicium(IV)-acetats
formula_title: SiO8C8H12
a: 7.42
b: 7.42
c: 11.34
alpha: 90
beta: 90
gamma: 90
cell_volume: 624.340
crystal_density: 1.341
atoms_sites: ["Si", "O1", "O2", "C1", "C2"]
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atoms_aniso_label: ["Si", "O1", "O2", "C1", "C2"]
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formula: Ca N P3 O9
compound: <missing>
formula_title: CaNH4P3O9
a: 7.446
b: 12.461
c: 10.050
alpha: 90
beta: 90
gamma: 90.11
cell_volume: 932.484
crystal_density: 2.073
atoms_sites: ["Ca", "NH4", "P1", "P2", "P3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9"]
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atoms_aniso_label: ["Ca", "NH4", "P1", "P2", "P3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9"]
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pub_title:
 Structure cristalline du trimetaphosphate CaNH4P3O9; Trimetaphosphates:
 CaKP3O9, CaCsP3O9 et CaNH4P3O9*3H2O
 Note: x(P2) adjusted to match reported bond lengths

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formula: (Ni2 Si) O4
compound: <missing>
pub_title: Structure refinement of high-pressure Ni2SiO4 spinel
formula_title: Ni2SiO4
a: 8.0424
b: 8.0424
c: 8.0424
alpha: 90
beta: 90
gamma: 90
cell_volume: 520.184
crystal_density: 5.349
atoms_sites: ["NiM", "SiM", "SiT", "NiT", "O"]
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qdat:
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formula: Hg Sb4 S8
compound: Huitzuco, Guerrero, Mexico
pub_title: A redetermination of the crystal structure of livingstonite, HgSb4S8
formula_title: <missing>
a: 30.567
b: 4.015
c: 21.465
alpha: 90
beta: 103.39
gamma: 90
cell_volume: 2562.714
crystal_density: 4.894
atoms_sites: ["Hg1", "Hg2", "Sb1", "Sb2", "Sb3", "Sb4", "S1", "S2", "S3", "S4", "S5", "S6", "S7", "S8"]
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atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: ["Hg1", "Hg2", "Sb1", "Sb2", "Sb3", "Sb4", "S1", "S2", "S3", "S4", "S5", "S6", "S7", "S8"]
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formula: Cu4 Bi4 S9
compound: <missing>
formula_title: Cu4Bi4S9
a: 11.589
b: 32.05
c: 3.951
alpha: 90
beta: 90
gamma: 90
cell_volume: 1467.510
crystal_density: 6.240
atoms_x: gGMXALCGFADw6xkAAAYYAOhlFgAoEwYAGHsIAHA2DgBwGQgAYNwTAOCmBQCAyw4AsJsdAGBGEwAwjwQAoLEXADBLBwA=
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pub_title:
 The structure of Cu4Bi4S9 and its relation to the structures of covellite,
 CuS and bismuthinite, Bi2S3

atoms_sites:
["Cu1", "Cu2", "Cu3", "Cu4", "Bi1", "Bi2", "Bi3", "Bi4", "S1", "S2", "S3", "S4", "S5", "S6", "S7", "S8", "S9"]

atoms_aniso_label:
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