# cif

formula: Fe Cl2
compound: <missing>
pub_title: The structure of FeCl2 at high pressures Note: P = 3.15 kbar
formula_title: <missing>
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b: 3.592
c: 17.384
alpha: 90
beta: 90
gamma: 120
cell_volume: 194.246
crystal_density: 3.251
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formula: Fe Cl2
compound: <missing>
pub_title: The structure of FeCl2 at high pressures Note: P = 5.70 kbar
formula_title: <missing>
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b: 3.589
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beta: 90
gamma: 120
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formula: Fe Cl2
compound: <missing>
pub_title: The structure of FeCl2 at high pressures Note: P = 5.97 kbar
formula_title: <missing>
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b: 3.585
c: 5.735
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beta: 90
gamma: 120
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formula: Sn2.56 Fe.43 S6 Pb2.01
compound: San Jose, Bolivia
pub_title: The crystal structure of franckeite, Pb21.7Sn9.3Fe4.0Sb8.1S56.9
formula_title: <missing>
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b: 5.856
c: 17.338
alpha: 94.97
beta: 88.45
gamma: 89.94
cell_volume: 586.955
crystal_density: 5.300
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formula: Ca (Zn1.024 Mn.976) As2 O10 H3
compound: Mapimi, Durango, Mexico
pub_title: Lotharmeyerite, Ca(Zn,Mn)2(AsO4)2(H2O,OH)2 Note: RRUFF.info/R060862
formula_title: <missing>
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b: 6.2530
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formula: Ca Sn O3
compound: Synthetic
formula_title: <missing>
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b: 5.6634
c: 7.88162
alpha: 90
beta: 90
gamma: 90
cell_volume: 246.136
crystal_density: 5.580
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pub_title:
 Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from
 single-crystal X-ray diffraction
 Note: P = 0.0 GPa

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formula: Ca Sn O3
compound: Synthetic
formula_title: <missing>
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pub_title:
 Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from
 single-crystal X-ray diffraction
 Note: P = 0.738 GPa

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formula: Ca Sn O3
compound: Synthetic
formula_title: <missing>
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pub_title:
 Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from
 single-crystal X-ray diffraction
 Note: P = 1.50 GPa

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formula: Ca Sn O3
compound: Synthetic
formula_title: <missing>
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pub_title:
 Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from
 single-crystal X-ray diffraction
 Note: P = 2.61 GPa

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pub_title:
 Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from
 single-crystal X-ray diffraction
 Note: P = 3.94 GPa

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pub_title:
 Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from
 single-crystal X-ray diffraction
 Note: P = 5.18 GPa

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pub_title:
 Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from
 single-crystal X-ray diffraction
 Note: P = 5.98 GPa

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formula: Ca Sn O3
compound: Synthetic
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pub_title:
 Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from
 single-crystal X-ray diffraction
 Note: P = 6.73 GPa

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formula: Cu As S
compound: Grube Gabe Gottes near Sainte-Marie-aux-Mines, France
pub_title: The crystal structure of lautite and of sinnerite, a new mineral from the Lengenbach Quarry
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formula: Mg2 P O8 H7
compound: Kovdor massif, Kola Peninsula, Russia
pub_title: Redetermination of kovdorskite, Mg2PO4(OH)*3H2O
formula_title: <missing>
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pub_title: Fluornatromicrolite, (Na,Ca,Bi)2Ta2O6F, a new mineral species from Quixaba, Paraiba, Brazil
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formula: B O2 H2
compound: Synthetic
pub_title: The solid-state structure of diboronic acid, B2(OH)4
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compound: Cross Lake, Manitoba, Canada
formula_title: <missing>
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cell_volume: 4403.571
crystal_density: 3.637
pub_title:
 The crystal structure and crystal chemistry of manitobaite,
 ideally (Na16_)Mn2+25Al8(PO4)30, from Cross Lake, Manitoba
 Note: green sample

atoms_sites:
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pub_title:
 The crystal structure and crystal chemistry of manitobaite,
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compound: Pune, India
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pub_title:
 The crystal structure of cavansite: location of the H2O molecules and
 hydrogen atoms in Ca(VO)(Si4O10)*4H2O
 Note: T = 100 K

atoms_sites:
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formula_title: <missing>
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gamma: 90
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pub_title:
 The crystal structure of cavansite: location of the H2O molecules and
 hydrogen atoms in Ca(VO)(Si4O10)*4H2O
 Note: T = 296 K

atoms_sites:
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formula: Cu Fe S2
compound: Palabora mine, South Africa
formula_title: <missing>
a: 5.2900
b: 5.2900
c: 10.4217
alpha: 90
beta: 90
gamma: 90
cell_volume: 291.642
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pub_title:
 The low-temperature and high-pressure thermoelastic and
 structural properties of chalcopyrite, CuFeS2
 T = 300 K

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compound: Palabora mine, South Africa
formula_title: <missing>
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pub_title:
 The low-temperature and high-pressure thermoelastic and
 structural properties of chalcopyrite, CuFeS2
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formula: Th2 B P O8
compound: Synthetic
pub_title: Th2[BO4][PO4]: a rare example of an actinide borate-phosphate
formula_title: Th2[BO4][PO4]
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formula: Ca Sn O3
compound: Synthetic
pub_title: The ASnO3 (A = Ca, Sr) perovskites
formula_title: <missing>
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formula: Sr Sn O3
compound: Synthetic
pub_title: The ASnO3 (A = Ca, Sr) perovskites
formula_title: SrSnO3
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gamma: 90
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formula: Na1.56 Ca.44 V5 O25 H22
compound: West Sunday mine, San Miguel County, Colorado, USA
formula_title: <missing>
a: 19.848
b: 10.1889
c: 13.1184
alpha: 90
beta: 130.187
gamma: 90
cell_volume: 2026.682
crystal_density: 2.394
pub_title:
 Gunterite, Na4(H2O)16(H2V10O28)*6H2O, a new mineral species
 with a doubly-protonated decavanadate polyanion:
 crystal structure and descriptive mineralogy

atoms_sites:
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formula: Mn.88 Fe.09 (Ta1.72 Nb.28) O6
compound: Brazil
formula_title: <missing>
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b: 5.7413
c: 5.0624
alpha: 90
beta: 90
gamma: 90
cell_volume: 416.196
crystal_density: 7.766
atoms_sites: ["Mn", "Fe", "Ta", "Nb", "O1", "O2", "O3"]
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pub_title:
 Crystal chemistry and structure of the orthorhombic
 (Fe,Mn)(Ta,Nb)2O6 family of compounds
 Note: Sample Mn0.88Fe0.09Ta1.72Nb0.28O6

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formula: Fe (Nb1.2 Ta.8) O6
compound: Brazil
formula_title: <missing>
a: 14.2737
b: 5.73543
c: 5.0554
alpha: 90
beta: 90
gamma: 90
cell_volume: 413.864
crystal_density: 6.549
atoms_sites: ["Fe", "Nb", "Ta", "O1", "O2", "O3"]
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pub_title:
 Crystal chemistry and structure of the orthorhombic
 (Fe,Mn)(Ta,Nb)2O6 family of compounds
 Note: Sample Fe(Ta0.4Nb0.6)2O6

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formula: Na6 S2 O8 Cl F
compound: not provided
formula_title: <missing>
a: 10.071
b: 10.071
c: 10.071
alpha: 90
beta: 90
gamma: 90
cell_volume: 1021.452
crystal_density: 2.500
atoms_sites: ["Na", "S", "O", "Cl", "F"]
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pub_title:
 The size, atomic charges, and motion of the sulfate radical of
 symmetry -43m in the crystal of sulfohalite, Na6ClF(SO4)2

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formula: Pb F2
compound: Synthetic
pub_title: Synthesis and characterization of mixed fluorides with PbF2 and ScF3
formula_title: <missing>
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formula: Pb5 Se4 Cu Cl4 O12
compound: Baccu Locci mine, near Villaputzu, Sardinia, Italy
formula_title: <missing>
a: 24.917
b: 5.506
c: 14.242
alpha: 90
beta: 101.77
gamma: 90
cell_volume: 1912.821
crystal_density: 6.074
atoms_sites: ["Pb1", "Pb2", "Pb3", "Se1", "Se2", "Cu1", "Cl1", "Cl2", "O1", "O2", "O3", "O4", "O5", "O6"]
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pub_title:
 Structure of the new mineral sarrabusite, Pb5CuCl4(SeO3)4,
 solved by manual electron-diffraction tomography
 Note: Manual data, this is the prefered structure

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formula: Pb5 Se4 Cu Cl4 O12
compound: Baccu Locci mine, near Villaputzu, Sardinia, Italy
formula_title: <missing>
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pub_title:
 Structure of the new mineral sarrabusite, Pb5CuCl4(SeO3)4,
 solved by manual electron-diffraction tomography
 Note: Automated data

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formula: Pb F2
compound: Kupol'noe deposit, Sarychev range, Sakha Republic, Russian Federation
pub_title: Fluorocronite, the natural analogue of beta-PbF2, from the Sakha Republic, Russian Federation
formula_title: <missing>
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b: 5.9306
c: 5.9306
alpha: 90
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formula: Li3.72 Na.41 Ca.87 Al4 P4 O20 H4
compound: Buranga pegmatite, Rwanda
pub_title: The crystal structure of bertossaite, CaLi2[Al4(PO4)4(OH,F)4]
formula_title: <missing>
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b: 15.744
c: 7.228
alpha: 90
beta: 90
gamma: 90
cell_volume: 1305.942
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atoms_sites:
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formula: Al13.571 Fe.8 Mg1.634 Si4 B3.58 O37
compound: Bok se Puts, Namaqualand, South Africa
formula_title: <missing>
a: 7.98539
b: 8.15541
c: 11.40210
alpha: 110.4360
beta: 110.8720
gamma: 84.6780
cell_volume: 649.732
crystal_density: 3.050
pub_title:
 Werdingite from a pegmatite at Almgjotheii, Rogaland, Norway:
 The role of iron in a borosilicate with a mullite-type structure

atoms_sites:
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formula: Al7.371 Fe.605 Mg.24 Si1.82 B1.967 O18.484
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formula_title: <missing>
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pub_title:
 Werdingite from a pegmatite at Almgjotheii, Rogaland, Norway:
 The role of iron in a borosilicate with a mullite-type structure

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formula: Fe Cl2
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formula: Pb2 Mn2 Mg As2 O18 H16
compound: Langban, Sweden
formula_title: <missing>
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pub_title:
 Langbanshyttanite, a new low-temperature arsenate mineral with a
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formula: K.81 Na.35 (Fe1.74 Mn.26) Zn2.79 Si12 O30
compound: Kloch volcano, Bad Radkersburg district, Styria, Austria
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pub_title:
 Klochite, K_2(Fe2+Fe3+)Zn3[Si12O30], a new milarite-type mineral species
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pub_title:
 The crystal structure of gustavite, PbAgBi3S6
 Analysis of twinning and polytypism using the OD approach

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pub_title:
 Markascherite, Cu3(MoO4)(OH)4, a new mineral species polymorphic with szenicsite,
 from Copper Creek, Pinal County, Arizona, U.S.A.

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compound: Synthetic
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pub_title:
 High-pressure synthetic (Na0.97Mg0.03)(Mg0.43Fe3+0.17Si0.40)Si2O6,
 with six-coordinated silicon, isostructural with P2/n omphacite

atoms_sites:
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formula: B O3 H3
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formula: Na2 Ca S2 O8
compound: Chinchon (Madrid), Spain
pub_title: The crystal structure of glauberite, CaNa2(SO4)2
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formula: B6 O6 H7
compound: Synthetic
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formula: B O2 H
compound: Synthetic
pub_title: The refined structure of orthorhombic metaboric acid Note T = -130 C
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formula: U2 S K.92 H5.08 O12
compound: Jachymov, Czech Republic
formula_title: <missing>
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b: 13.9903
c: 8.8630
alpha: 90
beta: 104.524
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pub_title:
 The crystal structure of natural zippeite, K1.85H+0.15[(UO2)4O2(SO4)2(OH)2](H2O)4,
 from Jachymov, Czech Republic

atoms_sites:
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formula: Pb Fe1.98 Zn.75 Cu.27 Al.09 S2 O14 H6
compound: Mikawa mine, Niigata Prefecture, Japan
formula_title: <missing>
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beta: 90
gamma: 120
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pub_title:
 Study of Zn-bearing beaverite Pb(Fe2Zn)(SO4)2(OH)6
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formula: Fe As O6 H4
compound: not given
pub_title: The hydrogen positions in scorodite
formula_title: <missing>
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beta: 90
gamma: 90
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atoms_aniso_u13: OA4AAAgHAAA4DgAAIHEAAHDH///I8f//yPH//3DH//8=
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qdat:
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formula: U K4 C3 O11
compound: Jachymov, Czech Republic
pub_title: Agricolaite, a new mineral of uranium from Jachymov, Czech Republic
formula_title: <missing>
a: 10.2380
b: 9.1930
c: 12.2110
alpha: 90
beta: 95.108
gamma: 90
cell_volume: 1144.710
crystal_density: 3.519
atoms_sites: ["U1", "K1", "K2", "C1", "C2", "O1", "O2", "O3", "O4", "O5", "O6"]
atoms_x: gIQeAJC+KQDAwCQAYFEmAICEHgBwGSEAoOAkAAB5IgCAhB4AgNIqADBmKAA=
atoms_y: uGMqACAbFQAQBDIAYNkgAIBwAAAAvTgAwGEpAFDjHADwuwgAUOMcAGCEKgA=
atoms_z: QEIPAJAtFQAwMSEAwD8FAEBCDwCgaQoAcMcEADDVCQBAQg8A8LMBANCPEwA=
atoms_occupancy: 0
atoms_u_iso: WLEAALhGAQDYPwEAYOoAADALAQAgSAEAYAMBAMAlAQAwbwEAIJMBAIA4AQA=
atoms_aniso_label: ["U1", "K1", "K2", "C1", "C2", "O1", "O2", "O3", "O4", "O5", "O6"]
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qdat:
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formula: Na Nb O3
compound: Synthetic
formula_title: <missing>
a: 5.504
b: 5.568
c: 15.52
alpha: 90
beta: 90
gamma: 90
cell_volume: 475.630
crystal_density: 4.578
atoms_sites: ["Na1", "Na2", "Na3", "Na4", "Nb1", "Nb2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8"]
atoms_x: AAAAAICEHgBgrR8AINf+/8DaAABAXx8AQEIPAMDGLQBAQg8AwMYtAAAAAACAhB4AoIYBAOD9HAA=
atoms_y: YK0fACDX/v8AAAAAgIQeACBOAACg0h4AQEIPAEBCDwDAxi0AwMYtAKCGAQDg/RwAAAAAAICEHgA=
atoms_z: QEIPAEBCDwCAhB4AgIQeAGDjFgBg4xYAYOMWAGDjFgBg4xYAYOMWAEBCDwBAQg8AgIQeAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 The structure of ferroelectric sodium niobate at room temperature
 Note: this is a possible polymorph of lueshite

qdat:
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formula: Pb14 Cl6 Mg2 O18.02 H10.02
compound: Torr Works (Merehead) quarry, Cranmore, Somerset, United Kingdom
pub_title: Rickturnerite, Pb7O4[Mg(OH)4](OH)Cl3, a complex new lead oxychloride mineral
formula_title: <missing>
a: 5.8034
b: 11.3574
c: 12.9393
alpha: 90
beta: 90
gamma: 90
cell_volume: 852.849
crystal_density: 6.738
atoms_aniso_label: "<missing>"
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atoms_aniso_u33: 0
atoms_aniso_u12: 0
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atoms_sites:
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atoms_x:
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atoms_y:
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atoms_u_iso:
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qdat:
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formula: U1.44 (Nb.8 Ta.52 Si.26 Ti.22 Al.1 Fe.1) Ca.28 Nd.02 Ce.02 O14 H6
compound: Jaguaracu, Minas Gerais, Brazil
formula_title: <missing>
a: 14.150
b: 10.395
c: 7.529
alpha: 90
beta: 90
gamma: 90
cell_volume: 1107.435
crystal_density: 4.704
atoms_x: kEEQAMBfFwDAXxcAwF8XAMBfFwDAXxcAwF8XAICEHgCAhB4AgIQeAGAbFgCQ9wkAwG4SAODvFgCAhB4AgIQeAA==
atoms_y: eJoQAICEHgCAhB4AgIQeAICEHgCAhB4AgIQeAHDGAABwxgAAcMYAAFBuCgBAEhcAsMsVAPBJGwCgRCUAwLAHAA==
atoms_z: QEIPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEBCDwBAQg8AQEIPAEBCDwBAQg8AIJL9/0BCDwCwVgMAQKj+/w==
atoms_occupancy: APIrAABqGACA3g8AQO8HAMC2BgBADQMAQA0DAAAXEQCAOAEAgDgBAAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AA==
atoms_u_iso: 8BcCABC3AQAQtwEAELcBABC3AQAQtwEAELcBAKB6AwCgegMAoHoDACC5AwBg3gIA4CICAECWAQCgAwIAANwFAA==
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atoms_aniso_u22: MBgDADC0AgAwtAIAMLQCADC0AgAwtAIAMLQCAOAcAwDgHAMA4BwDAMDIAwBAigMAgCwDAECQAgDgHAMAgBoGAA==
atoms_aniso_u33: QH0BADChAQAwoQEAMKEBADChAQAwoQEAMKEBAEAHBABABwQAQAcEAGBnAQDgIgIA4KUBAGDqAADAVwEA4JMEAA==
atoms_aniso_u12: UEz//wAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAKAh/f8AAAAAoBX//2Dw//8AAAAAAAAAAA==
atoms_aniso_u13: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAINH//wAAAAAAAAAAAAAAAA==
atoms_aniso_u23: AAAAAHD+//9w/v//cP7//3D+//9w/v//cP7//wAAAAAAAAAAAAAAAAAAAAAAAAAAAH0AAAAAAADgLgAAYPD//w==
pub_title:
 Carlosbarbosaite, ideally (UO2)2Nb2O6(OH)2*2H2O, a new hydrated uranyl
 niobate mineral with tunnels from Jaguaracu, Minas Gerais, Brazil:
 description and crystal structure

atoms_sites:
["U", "Nb", "Ta", "Si", "Ti", "Al", "Fe", "Ca", "Nd", "Ce", "O(1)", "O(2)", "O(3)", "O(4)", "O-H", "Wat"]

atoms_aniso_label:
["U", "Nb", "Ta", "Si", "Ti", "Al", "Fe", "Ca", "Nd", "Ce", "O(1)", "O(2)", "O(3)", "O(4)", "O-H", "Wat"]

qdat:
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formula: Zn2.6 Cu.4 As2 O12 H8
compound: Tsumeb, Namibia
formula_title: <missing>
a: 5.9756
b: 7.6002
c: 5.4471
alpha: 84.2892
beta: 90.4920
gamma: 87.9958
cell_volume: 245.988
crystal_density: 3.681
atoms_sites: ["Zn1", "Cu1", "Zn2", "As", "O1", "O2", "O3", "O4", "O5", "O6", "H1", "H2", "H3", "H4"]
atoms_x: AAAAAAAAAADQmQ4AQM4PAFBgHQBASRIAcKcBAADqCwDQmg0A8IsQAODgDAAAKQ4AIDUZACDWEwA=
atoms_y: gIQeAICEHgAYWgYAwB41AMCnLgDAwjYAgI4tAGDYAwCgeRgAwBQhAKDbEAAgphsAoFsdAMBnKAA=
atoms_z: gIQeAICEHgDofDEAAJEUALDJDQAgyCYAgDATAKA3CgBgoxAAoNAvACD0DgAgKgYAgKctAGBHMAA=
atoms_occupancy: AJ8kAABqGAAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQA=
atoms_u_iso: QL8AAEC/AACQvwAAII8AABDvAAAg5AAAAMgAAJDiAADQGgEAAEUBAGBhAgAAawMAQIoDAOCZAwA=
atoms_aniso_label: ["Zn1", "Cu1", "Zn2", "As", "O1", "O2", "O3", "O4", "O5", "O6"]
atoms_aniso_u11: qN4AAKjeAAAgvAAAqJMAAPC5AACAOAEA8KAAAJBGAQBQiwEA4CgBAA==
atoms_aniso_u22: iKQAAIikAADI4QAA4JIAAMDaAAAA4QAAgLsAAEC1AABg0QAAIP0AAA==
atoms_aniso_u33: ELgAABC4AABAoQAAyIcAAMA+AQAAlgAAUPUAABCkAAAw8gAA4KUBAA==
atoms_aniso_u12: yAAAAMgAAADoEgAAUAAAAPAKAADwCgAAIOr//3AXAAAQDgAA8PH//w==
atoms_aniso_u13: sBMAALATAAAQ////6AMAANA5AADQ7v//QO3//6D2///QOQAAcDAAAA==
atoms_aniso_u23: sPr//7D6///w4v//eOz//7C5///Q1f//IAMAAKAPAAAQ9f//gPP//w==
pub_title:
 Davidlloydite, ideally Zn3(AsO4)2(H2O)4, a new arsenate mineral
 from the Tsumeb mine, Otjikoto (Oshikoto) region, Namibia:
 description and crystal structure

qdat:
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formula: Cu3 V2 O11 H6
compound: <missing>
pub_title: Crystal structure of volborthite Cu3(OH)2V2O7*2H2O
formula_title: <missing>
a: 10.60
b: 5.86
c: 7.21
alpha: 90
beta: 95.08
gamma: 90
cell_volume: 446.097
crystal_density: 3.533
atoms_sites: ["Cu1", "Cu2", "V", "O1", "O2", "O3", "O-H", "Wat"]
atoms_x: AAAAAEBCDwAARh4AAAAAAKDxBACgDhUAQGYJAADECQA=
atoms_y: AAAAAEBCDwAAAAAAgIQeAEBCDwAAAAAAAAAAAAAAAAA=
atoms_z: AAAAAAAAAAAAoA8AgIQeAEDdCgAgGAkAAMIzAEB3GwA=
atoms_occupancy: 0
atoms_u_iso: CBUBAAgVAQAIFQEACBUBAAgVAQAIFQEACBUBAAgVAQA=
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Cu5 S2 O18 H14
compound: Synthetic
pub_title: Structure of Cu2.5(OH)3SO4*2H2O: a novel corrosion product of copper
formula_title: <missing>
a: 6.064
b: 11.012
c: 5.490
alpha: 102.68
beta: 92.43
gamma: 92.06
cell_volume: 356.956
crystal_density: 3.182
atoms_sites: ["Cu1", "Cu2", "Cu3", "Cu4", "S", "O1", "O2", "O3", "O4", "O-H1", "O-H2", "O-H3", "Wat1", "Wat2"]
atoms_x: AAAAAICEHgBg1i0AgIQeAKBBMgAA4C4AIOY6ACDnJQBAQDkAAOwsACCUHgDAXQAAoLsNAICuFwA=
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atoms_occupancy: 0
atoms_u_iso: SJ4AAEieAABonAAAgO0AAEieAAAgsgAAgO0AAKjZAAAIFQEACBUBAOhiAACo2QAA4CgBAJA8AQA=
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
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formula: Bi Mo2.102 O9 H3
compound: Su Senargiu, Sardinia, Italy
formula_title: <missing>
a: 5.8505
b: 9.0421
c: 13.9173
alpha: 90
beta: 100.42
gamma: 90
cell_volume: 724.095
crystal_density: 5.115
atoms_x: yKEYANjeNAAAmCYAkJQmABDBQgBgoToAwBEuAHBoGABQCycAoHgtAPA8MgAQxj0AEMo0AJAxQwCAvj4AoIk/AKBALgA=
atoms_y: 6HEZANhYBgDogg0A0Ev9/9DZDwDAdhkASK0FAIh2BgBQpg4AsNwOANCZ+v/gp/r/kEIFAJBEDQBAABoAgB8aAACm9f8=
atoms_z: 6H8GABiYCQCgzRQAQLoUAPAQGADg5xQA4BMCAACMFACIowsAqE8cACBoHQDwLAsACAMTAEALCgBgfhIAoPwXAODeHQA=
atoms_occupancy: AAk9AAAJPQAACT0AgLUBAECEBAAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQA=
atoms_u_iso: kJwAAMiMAADYkAAAwMEAAMA+AQDwNgEAcPgAAIAfAQCQyQAAsBcBAHDGAADQtgAAILIAAKA7AQAA7gIAQBMCAEANAwA=
atoms_aniso_label: ["Bi", "Mo1", "Mo2", "Mo3", "Mo4", "Ow", "O2", "O3", "O4", "O5", "O-h"]
atoms_aniso_u11: +KIAAIC2AACgVAEAIEgBAGDqAACQFAEAkMMBADDZAAAQvQAAkOIAAKA7AQA=
atoms_aniso_u22: qIQAAGh+AADgWgEAkPsAAKAJAQDgqwAAwNoAAHDGAADAjwAAAK8AAPA2AQA=
atoms_aniso_u33: iIEAAHiCAAAg/QAA8KAAAMBwAQBQqgAAUKoAAJDJAAAQ1gAAQIMAABA6AQA=
atoms_aniso_u12: CAcAACASAAAQJwAAoEEAAPDY///wVQAAoKUAAJCE//+ADAAAcEkAAKCS//8=
atoms_aniso_u13: YCIAAMgoAAAASwAAsB0AAJBMAACQTAAAoEEAAHBiAABAHwAAsB0AAKAoAAA=
atoms_aniso_u23: CBEAAMgZAACQGgAAoPb//6BzAADwIwAAUEYAAECi//+A8///wEQAACAcAAA=
pub_title:
 Gelosaite, BiMo6+(2-5x)Mo5+6xO7(OH)*H2O (0<=x<=0.4), a new mineral from
 Su Senargiu (CA), Sardinia, Italy, and a second occurrence from Kingsgate,
 New England, Australia

atoms_sites:
["Bi", "Mo1", "Mo2", "Mo3", "Mo4", "Ow", "O2", "O3", "O4", "O5", "O-h", "O7", "O8", "O9", "H(1w)", "H(2w)", "H3"]

qdat:
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compound: Verkhnee Espe deposit, Kazakhstan
formula_title: <missing>
a: 6.5691
b: 8.6869
c: 7.0924
alpha: 90
beta: 114.1269
gamma: 90
cell_volume: 369.372
crystal_density: 3.888
formula:
(Na.39 Ca.32 Y.15 Dy.03 Yb.03 Er.03 Ce.01 Ho.01 Tm.01 Gd.01 Nd.01) (Ti.94 Nb.02 Sn.01 Fe.01 Mn.01 V.01) Si O4.83 F.17

pub_title:
 Natrotitanite, ideally (Na0.5Y0.5)Ti(SiO4)O, a new mineral from the
 Verkhnee Espe deposit, Akjailyautas mountains, Eastern Kazakhstan district,
 Kazakhstan: description and crystal structure

atoms_sites:
["Na", "Ca", "Y", "Dy", "Yb", "Er", "Ce", "Ho", "Tm", "Gd", "Nd", "Ti", "Nb", "Sn", "Fe", "Mn", "V", "Si", "O1", "F1", "O2", "O3"]

atoms_x:
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atoms_y:
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atoms_z:
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atoms_occupancy:
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atoms_u_iso:
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atoms_aniso_label:
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atoms_aniso_u11:
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atoms_aniso_u22:
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atoms_aniso_u33:
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atoms_aniso_u12:
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atoms_aniso_u13:
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atoms_aniso_u23:
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qdat:
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formula: Fe O2
compound: Monte Romero mine (Iberian Pyrite Belt), Spain
formula_title: <missing>
a: 10.821
b: 6.002
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pub_title:
 The structure of schwertmannite, a nanocrystalline iron oxyhydroxysulfate
 Note: Model 1, positions of sulfate groups not determined

atoms_sites:
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pub_title:
 The structure of schwertmannite, a nanocrystalline iron oxyhydroxysulfate
 Note: Model 2, positions of sulfate groups not determined

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pub_title: Investigations on olenite with exess boron from Koralpe, Styria, Austria
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pub_title:
 Refined crystal structure of parakeldyshite and genetic crystal
 chemistry of zirconium minerals with [Si2O7] diorthogroups

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pub_title:
 Structural and dielectric properties of solid solutions of
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 Note: La2/3-x Na3x Nb2O6 synthesized at 1350 deg C
 Note: x = 0

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pub_title:
 Structural and dielectric properties of solid solutions of
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 Note: La2/3-x Na3x Nb2O6 synthesized at 1350 deg C
 Note: x = .16

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pub_title:
 Structural and dielectric properties of solid solutions of
 sodium niobate in lanthanum and neodymium niobates
 Note: La2/3-x Na3x Nb2O6 synthesized at 1350 deg C
 Note: x = .5, La.17Na1.5Nb2O6

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pub_title:
 Structural and dielectric properties of solid solutions of
 sodium niobate in lanthanum and neodymium niobates
 Note: La2/3-x Na3x Nb2O6 synthesized at 1350 deg C
 Note: x = .58, La.09Na1.74Nb2O6

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pub_title:
 Structural and dielectric properties of solid solutions of
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 Note: La2/3-x Na3x Nb2O6 synthesized at 1350 deg C
 Note: x = .66, Na2Nb2O6

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pub_title:
 Structural and dielectric properties of solid solutions of
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 Note: Nd2/3-x Na3x Nb2O6 synthesized at 1330 deg C
 Note: x = 0

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pub_title:
 Structural and dielectric properties of solid solutions of
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 Note: Nd2/3-x Na3x Nb2O6 synthesized at 1330 deg C
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pub_title:
 Structural and dielectric properties of solid solutions of
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 Note: Nb2/3-x Na3x Nb2O6 synthesized at 1330 deg C
 Note: x = .58, Nd.09Na1.74Nb2O6

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pub_title:
 Structural and dielectric properties of solid solutions of
 sodium niobate in lanthanum and neodymium niobates
 Note: Nb2/3-x Na3x Nb2O6 synthesized at 1330 deg C
 Note: x = .62, Nd.05Na1.86Nb2O6

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pub_title:
 The structure of sodium niobate at room temperature,
 and the problem of reliability in pseudosymmetric structures

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pub_title:
 The polar phase of NaNbO3: a combined study by powder diffraction,
 solid-state NMR and first-principles calculations
 Note: this is a polymorph of lueshite

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pub_title:
 Neutron powder profile refinement of ferroelectric and
 antiferroelectric crystal structures: sodium niobate at 22 deg C

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pub_title:
 A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x
 system: synthesis, crystal chemistry, and energetics
 Note: x = 0.00

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pub_title:
 A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x
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 Note: x = 0.05

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pub_title:
 A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x
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 Note: x = 0.1

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pub_title:
 A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x
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 Note: x = 0.15

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pub_title:
 A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x
 system: synthesis, crystal chemistry, and energetics
 Note: x = 0.2

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formula: Cu3 V2 O11 H6
compound: not given
pub_title: Balance, uniformity, and asymmetry of the structure of volborthite Cu3(OH)2(V2O7)*2H2O
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formula: Cu3 V2 O11 H6
compound: Scrava mine, Eastern Liguria, Italy
formula_title: <missing>
a: 10.610
b: 5.866
c: 7.208
alpha: 90
beta: 95.04
gamma: 90
cell_volume: 446.879
crystal_density: 3.527
atoms_sites: ["Cu(1)", "Cu(2)", "V", "O(1)", "O(2)", "O(3)", "O(4)", "O(5)", "H(4)", "H(5)A", "H(5)B"]
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pub_title:
 Crystal structure refinement of volborthite from Scrava mine
 (Eastern Liguria, Italy)
 Note: split O1 and O5 atoms

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formula: K1.2 Ca.7 Ba.3 Fe.5 Mg.15 Na.15 Si13 O36 H18
compound: Rother Kopf mountain, Eifel volcanic field, Germany
formula_title: <missing>
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b: 6.975
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cell_volume: 1699.151
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pub_title:
 Crystal structure of gunterblassite, a new mineral with a triple tetrahedral layer
 Note: tetrahedral sites, Si8.83 Al3.06, but occupancies were not reported

atoms_sites:
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formula: Ca U2 Si2 O17 H12
compound: Streltsovkii ore field, Transbaikal region, Russia
formula_title: <missing>
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b: 15.465
c: 6.626
alpha: 90
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gamma: 90
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pub_title:
 Crystal structure of beta-uranophane from the Transbaikal region
 and its relation to the structure of the a modification

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formula: Si6.12 Al2.06 Mg4.06 Cr.6 Fe.14 Ti.02 Ca1.88 Na K.07 O24 H2
compound: Akaishi mine, Higashi-Akaishi Mountain, Ehime Prefecture, Japan
formula_title: <missing>
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b: 18.0057
c: 5.28650
alpha: 90
beta: 105.3950
gamma: 90
cell_volume: 910.155
crystal_density: 3.113
pub_title:
 Ehimeite, NaCa2Mg4CrSi6Al2O22(OH)2: The first Cr-dominant amphibole
 from the Akaishi Mine, Higashi-Akaishi Mountain, Ehime Prefecture, Japan

atoms_sites:
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 Structural changes induced by cation ordering in ferrotapiolite
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pub_title:
 Structural changes induced by cation ordering in ferrotapiolite
 Note: Crystal Kim20_q1, treated at 600 C for 5 min

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pub_title:
 Structural changes induced by cation ordering in ferrotapiolite
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pub_title:
 Structural changes induced by cation ordering in ferrotapiolite
 Note: Crystal Kim20_q3, treated at 600 C for 50 min

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pub_title:
 Structural changes induced by cation ordering in ferrotapiolite
 Note: Crystal Kim20_q4, treated at 600 C for 200 min

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pub_title:
 Structural changes induced by cation ordering in ferrotapiolite
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pub_title:
 Structural changes induced by cation ordering in ferrotapiolite
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pub_title:
 Structural changes induced by cation ordering in ferrotapiolite
 Note: Crystal Kim23_q1, treated at 750 C for 130 min

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pub_title:
 Structural changes induced by cation ordering in ferrotapiolite
 Note: Crystal Kim23_q2, treated at 750 C for 190 min

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pub_title:
 Structural changes induced by cation ordering in ferrotapiolite
 Note: Crystal Kim24_q1, treated at 700 C for 30 min

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pub_title:
 Structural changes induced by cation ordering in ferrotapiolite
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pub_title:
 Structural changes induced by cation ordering in ferrotapiolite
 Note: Crystal Kim24_q3, treated at 700 C for 450 min

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 Zur Synthese und Kristallstruktur von Bariumboroarsenat Ba(BAsO5) mit
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compound: Synthetic
pub_title: Crystal structure and vibrational spectra studies of stillwellite compounds NdBSiO5
formula_title: <missing>
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formula: La B Si O5
compound: Synthetic
pub_title: Crystal structure of LaBSiO5
formula_title: <missing>
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b: 6.874
c: 6.717
alpha: 90
beta: 90
gamma: 120
cell_volume: 274.869
crystal_density: 4.672
atoms_sites: ["La", "B", "Si", "O1", "O2", "O3", "O4", "O5", "O5*"]
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formula: Ce B Si O5
compound: Soviet
pub_title: X-ray diffraction study of the atomic structure of stillwellite CeBO[SiO4]
formula_title: <missing>
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b: 6.85
c: 6.70
alpha: 90
beta: 90
gamma: 120
cell_volume: 272.262
crystal_density: 4.739
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formula: Ca U2 Si2 O17 H12
compound: Transbaikal region, Russia
formula_title: <missing>
a: 13.947
b: 15.465
c: 6.626
alpha: 90
beta: 91.399
gamma: 90
cell_volume: 1428.738
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pub_title:
 Crystal structure of beta-uranophane from the Transbaikal region and
 its relation to the structure of the alpha modification

atoms_sites:
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formula: B O3 H3
compound: Synthetic
pub_title: The crystal lattice of boric acid, BO3H3
formula_title: <missing>
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c: 6.57
alpha: 92.50
beta: 101.17
gamma: 120.0
cell_volume: 273.621
crystal_density: 1.501
atoms_sites: ["B1", "B2", "O1", "O2", "O3", "O4", "O5", "O6", "H1", "H2", "H3", "H4", "H5", "H6"]
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formula: Ba Cu Si4 O10
compound: Synthetic
pub_title: Refinement of the structure of barium copper silicate BaCu[Si4O10] at 300 K
formula_title: <missing>
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b: 7.447
c: 16.138
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beta: 90
gamma: 90
cell_volume: 894.978
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formula: Cu Ba Si4 O10
compound: Synthetic
pub_title: Structure of BaCuSi4O10
formula_title: <missing>
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alpha: 90
beta: 90
gamma: 90
cell_volume: 891.027
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formula: Li Ta3 O8
compound: Synthetic
pub_title: Neutron powder diffraction study of the intermediate-temperature form of lithium tantalate
formula_title: <missing>
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b: 11.521
c: 5.0506
alpha: 90
beta: 91.108
gamma: 90
cell_volume: 547.446
crystal_density: 8.223
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formula: Na3.62 Ca5.1 Si16 O43.96 H3.92
compound: Ariskop quarry, Aris alkaline complex, Namibia
formula_title: <missing>
a: 9.576
b: 9.577
c: 16.438
alpha: 85.85
beta: 75.23
gamma: 60.142
cell_volume: 1261.534
crystal_density: 1.901
atoms_aniso_label: "<missing>"
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pub_title:
 Ellingsenite, Na5Ca6Si18O38(OH)13*6H2O, a new martinite-related mineral species
 from phonolite of the Aris alkaline complex, Namibia
 Note: This is reported as an incomplete structure

atoms_sites:
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formula: K Cu5 V3 O13
compound: Synthetic
pub_title: Ein neues Alkalimetall-Kupfer-Oxovanadat: KCu5V3O13
formula_title: <missing>
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b: 8.261
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atoms_sites:
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formula: Na.88 Ca.04 Mg1.83 Fe.87 Al6.03 Mn.09 Ti.03 Li.12 Si6 B3 F.61 O30.39 H3.39
compound: the Crabtree Emerald mine, Mitchell County, North Carolina, USA
formula_title: <missing>
a: 15.955
b: 15.955
c: 7.153
alpha: 90
beta: 90
gamma: 120
cell_volume: 1576.930
crystal_density: 3.118
atoms_aniso_label: "<missing>"
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atoms_aniso_u23: 0
pub_title:
 Fluor-dravite, NaMg3Al6Si6O18(BO3)3(OH)3F, a new mineral species of the tourmaline
 group from the Crabtree Emerald mine, Mitchell County, North Carolina:
 Description and crystal structure

atoms_sites:
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formula: Mg2 Al2 Si O9 H4
compound: Saranovskaye, USSR
pub_title: The crystal structure of amesite Note: polytype 6R
formula_title: <missing>
a: 5.31
b: 5.31
c: 42.1
alpha: 90
beta: 90
gamma: 120
cell_volume: 1028.020
crystal_density: 2.701
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atoms_sites:
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formula: Zn2 Si O4
compound: Franklin, New Jersey, USA
pub_title: The crystal structure of willemite Zn2[SiO4]
formula_title: <missing>
a: 13.971
b: 13.971
c: 9.334
alpha: 90
beta: 90
gamma: 120
cell_volume: 1577.805
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pub_title: Magnesiohogbomite-2N4S: A new polysome from the central Sor Rondane Mountains, East Antarctica
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formula: Ba Cu Si2 O6
compound: Synthetic
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pub_title:
 Reinvestigation of the structure of BaCuSi2O6 - evidence for a phase
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 Note: T = 293 K

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formula: Ba Cu Si2 O6
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formula_title: BaCuSi2O6
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pub_title:
 Reinvestigation of the structure of BaCuSi2O6 - evidence for a phase
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 Note: T = 640 K

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formula: Si O2
compound: theoretical
formula_title: <missing>
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beta: 90
gamma: 120
cell_volume: 111.912
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pub_title:
 Mathematical Modeling of the structures and bulk moduli of TX2 quartz
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formula: Ge O2
compound: theoretical, quartz structure
formula_title: GeO2
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gamma: 120
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pub_title:
 Mathematical Modeling of the structures and bulk moduli of TX2 quartz
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formula: C O2
compound: theoretical, quartz structure
formula_title: CO2
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c: 4.214
alpha: 90
beta: 90
gamma: 120
cell_volume: 58.712
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pub_title:
 Mathematical Modeling of the structures and bulk moduli of TX2 quartz
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formula: C S2
compound: theoretical, quartz structure
formula_title: CS2
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formula: Si S2
compound: theoretical, quartz structure
formula_title: SiS2
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alpha: 90
beta: 90
gamma: 120
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formula: Si O2
compound: theoretical
formula_title: <missing>
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alpha: 90
beta: 90
gamma: 90
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formula: Ge O2
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formula_title: GeO2
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b: 4.973
c: 6.627
alpha: 90
beta: 90
gamma: 90
cell_volume: 163.891
crystal_density: 4.240
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formula: C O2
compound: theoretical, cristobalite structure
formula_title: CO2
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b: 4.033
c: 5.097
alpha: 90
beta: 90
gamma: 90
cell_volume: 82.903
crystal_density: 3.526
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formula: C S2
compound: theoretical, cristobalite structure
formula_title: CS2
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b: 5.232
c: 6.126
alpha: 90
beta: 90
gamma: 90
cell_volume: 167.692
crystal_density: 3.016
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formula: Si S2
compound: theoretical, cristobalite structure
formula_title: SiS2
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b: 5.888
c: 6.806
alpha: 90
beta: 90
gamma: 90
cell_volume: 235.954
crystal_density: 2.596
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formula: Ba2 Cu Si2 O7
compound: Synthetic
pub_title: Synthesis and structure of a new polymorph Ba2CuSi2O7 Note: known as beta-Ba2CuSi2O7
formula_title: Ba2CuSi2O7
a: 8.284
b: 8.284
c: 5.313
alpha: 90
beta: 90
gamma: 90
cell_volume: 364.603
crystal_density: 4.612
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formula: U4 K3.762 Si10 O41.858 H15.716
compound: Anderson mine, Arizona, USA
pub_title: Revision of the crystal structure and chemical formula of weeksite, K2(UO2)2(Si5O13)*4H2O
formula_title: <missing>
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b: 14.2291
c: 9.6305
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beta: 111.578
gamma: 90
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formula: Ba Cu2 Si2 O7
compound: Synthetic
formula_title: <missing>
a: 6.86058
b: 13.17507
c: 6.89589
alpha: 90
beta: 90
gamma: 90
cell_volume: 623.310
crystal_density: 4.610
atoms_sites: ["Ba", "Cu", "Si", "O1", "O2", "O3", "O4"]
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pub_title:
 Spin-1/2 quantum antiferromagnetic chains with tunable superexchange
 interactions found in BaCu2(Si1-xGex)2O7

qdat:
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formula: Ba Cu2 Ge2 O7
compound: Synthetic
formula_title: BaCu2Ge2O7
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alpha: 90
beta: 90
gamma: 90
cell_volume: 664.018
crystal_density: 5.218
atoms_sites: ["Ba", "Cu", "Ge", "O1", "O2", "O3", "O4"]
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pub_title:
 Spin-1/2 quantum antiferromagnetic chains with tunable superexchange
 interactions found in BaCu2(Si1-xGex)2O7

qdat:
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formula: Cu Ba Si4 O10
compound: Wessels mine, Kalahari Manganese Field, South Africa
formula_title: <missing>
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b: 7.442
c: 16.133
alpha: 90
beta: 90
gamma: 90
cell_volume: 893.500
crystal_density: 3.518
atoms_sites: ["Cu", "Ba", "Si", "O1", "O2", "O3"]
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atoms_aniso_label: ["Cu", "Ba", "Si", "O1", "O2", "O3"]
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pub_title:
 Effenbergerite, BaCu[Si4O10], a new mineral from the Kalahari Manganese Field,
 South Africa: description and crystal structure

qdat:
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formula: Na Mg2 P2 O11 H7
compound: Mejillones, Antofagasta, Chile
formula_title: <missing>
a: 16.295
b: 13.009
c: 8.434
alpha: 90
beta: 90
gamma: 90
cell_volume: 1787.853
crystal_density: 2.352
atoms_occupancy: 0
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atoms_aniso_u33: 0
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pub_title:
 Mejillonesite, a new acid sodium, magnesium phosphate mineral,
 from Mejillones, Antofagasta, Chile

atoms_sites:
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formula: Pb5 Te3 S.5 O21.5 H12
compound: Otto Mountain near Baker, California, USA
formula_title: <missing>
a: 9.6581
b: 19.5833
c: 10.5027
alpha: 90
beta: 90
gamma: 90
cell_volume: 1986.454
crystal_density: 5.988
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pub_title:
 Lead-tellurium oxysalts from Otto Mountain near Baker, California:
 VII. Chromschieffelinite, Pb10Te6O20(OH)14(CrO4)(H2O)5,
 the chromate analog of schieffelinite

atoms_sites:
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formula: Pb5 Te3 Cr.5 O21.5 H12
compound: Otto Mountain near Baker, California, USA
formula_title: <missing>
a: 9.6646
b: 19.4962
c: 10.5101
alpha: 90
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pub_title:
 Lead-tellurium oxysalts from Otto Mountain near Baker, California:
 VII. Chromschieffelinite, Pb10Te6O20(OH)14(CrO4)(H2O)5,
 the chromate analog of schieffelinite

atoms_sites:
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formula: Sr Cu Si4 O10
compound: Synthetic
formula_title: <missing>
a: 7.36657
b: 7.36657
c: 15.5844
alpha: 90
beta: 90
gamma: 90
cell_volume: 845.709
crystal_density: 3.326
atoms_sites: ["Sr", "Cu", "Si", "O1", "O2", "O3"]
atoms_x: QEIPAEBCDwCgBB8A8JQbAMCgKwBAYxYA
atoms_y: wMYtAEBCDwDwxzgAsOE7AFAUAADAJQEA
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atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10)
 solid solution
 Sample: x = 0.000

qdat:
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formula: (Ba.105 Sr.895) Cu Si4 O10
compound: Synthetic
formula_title: <missing>
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b: 7.36858
c: 15.6346
alpha: 90
beta: 90
gamma: 90
cell_volume: 848.896
crystal_density: 3.355
atoms_sites: ["Ba", "Sr", "Cu", "Si", "O1", "O2", "O3"]
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atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10)
 solid solution
 Sample: x = .105

qdat:
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formula: (Ba.193 Sr.807) Cu Si4 O10
compound: Synthetic
formula_title: <missing>
a: 7.3752
b: 7.3752
c: 15.6902
alpha: 90
beta: 90
gamma: 90
cell_volume: 853.446
crystal_density: 3.371
atoms_sites: ["Ba", "Sr", "Cu", "Si", "O1", "O2", "O3"]
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atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
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atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10)
 solid solution
 Sample: x = .193

qdat:
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formula: (Ba.276 Sr.724) Cu Si4 O10
compound: Synthetic
formula_title: <missing>
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b: 7.37735
c: 15.7266
alpha: 90
beta: 90
gamma: 90
cell_volume: 855.925
crystal_density: 3.393
atoms_sites: ["Ba", "Sr", "Cu", "Si", "O1", "O2", "O3"]
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atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10)
 solid solution
 Sample: x = .276

qdat:
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formula: (Ba.402 Sr.598) Cu Si4 O10
compound: Synthetic
formula_title: <missing>
a: 7.38801
b: 7.38801
c: 15.8265
alpha: 90
beta: 90
gamma: 90
cell_volume: 863.853
crystal_density: 3.410
atoms_sites: ["Ba", "Sr", "Cu", "Si", "O1", "O2", "O3"]
atoms_x: QEIPAEBCDwBAQg8AwDkfALCOGwAQzisAgM0WAA==
atoms_y: wMYtAMDGLQBAQg8A0PY4ADA5PABABgAAYGcBAA==
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pub_title:
 Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10)
 solid solution
 Sample: x = .402

qdat:
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compound: Synthetic
formula_title: <missing>
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b: 7.38813
c: 15.8516
alpha: 90
beta: 90
gamma: 90
cell_volume: 865.251
crystal_density: 3.439
atoms_sites: ["Ba", "Sr", "Cu", "Si", "O1", "O2", "O3"]
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pub_title:
 Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10)
 solid solution
 Sample: x = .492

qdat:
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formula: (Ba.636 Sr.364) Cu Si4 O10
compound: Synthetic
formula_title: <missing>
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b: 7.4030
c: 15.9357
alpha: 90
beta: 90
gamma: 90
cell_volume: 873.347
crystal_density: 3.461
atoms_sites: ["Ba", "Sr", "Cu", "Si", "O1", "O2", "O3"]
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pub_title:
 Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10)
 solid solution
 Sample: x = .636

qdat:
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compound: Synthetic
formula_title: <missing>
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alpha: 90
beta: 90
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pub_title:
 Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10)
 solid solution
 Sample: x = .821

qdat:
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formula: Ba Cu Si4 O10
compound: Synthetic
formula_title: <missing>
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b: 7.43602
c: 16.1302
alpha: 90
beta: 90
gamma: 90
cell_volume: 891.910
crystal_density: 3.524
atoms_sites: ["Ba", "Cu", "Si", "O1", "O2", "O3"]
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pub_title:
 Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10)
 solid solution
 Sample: x = 1.000

qdat:
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formula: (Ba1.5 K.3 Sr.2) Na1.9 Ca.4 Fe.6 Mn.2 Mg.8 Ti2 Nb.1 Si4 O16.4 F1.6
compound: Lohley quarry, Rhineland-Palatinate, Germany
formula_title: <missing>
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b: 7.098
c: 5.405
alpha: 90
beta: 96.349
gamma: 90
cell_volume: 758.966
crystal_density: 3.803
atoms_u_iso: 0
pub_title:
 Lileyite, Ba2(Na,Fe,Ca)3MgTi2(Si2O7)2O2F2, a new lamprophyllite-group
 mineral from the Eifel volcanic area, Germany

atoms_sites:
["Ba", "K", "Sr", "Na1", "Na2", "Ca2", "Fe2", "Mn2", "Mg", "Fe", "Ti", "Ti", "Nb", "Si", "O1", "O2", "O3", "O4", "O5", "F", "OF"]

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formula: Ba2 Ca V1.323 Al1.7 Si2.98 O18 F.66 C2 H2
compound: Southern Shaanxi, China
formula_title: <missing>
a: 5.2050
b: 9.033
c: 32.077
alpha: 90
beta: 93.49
gamma: 90
cell_volume: 1505.360
crystal_density: 3.699
pub_title:
 Hanjiangite, a new barium-vanadium phyllosilicate carbonate mineral,
 from the Shiti barium deposit in the Dabashan region, China
 Note: data is taken from the deposited cif, which unfortunately does not agree
 with the published tables.

atoms_sites:
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formula: K U S O8 H3
compound: Jachymov, Czech Republic
formula_title: <missing>
a: 8.0462
b: 7.9256
c: 11.3206
alpha: 90
beta: 107.726
gamma: 90
cell_volume: 687.651
crystal_density: 4.252
atoms_sites: ["K", "U", "S", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "H2a", "H8a", "H8b"]
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atoms_aniso_label: ["K", "U", "S", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8"]
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pub_title:
 Adolfpateraite, K(UO2)(SO4)(OH)(H2O), a new uranyl,
 sulphate mineral from Jachymov, Czech Republic

qdat:
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formula: (Sr1.92 Ba.08) (P3.92 V.08) Fe2.26 Al4 Mg.74 O26 H4
compound: Saint-Aubin-des-Chateaux, Loire-Atlantique, France
formula_title: <missing>
a: 5.457
b: 9.131
c: 9.769
alpha: 108.47
beta: 91.72
gamma: 97.44
cell_volume: 456.500
crystal_density: 3.553
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Structure cristalline d'un nouvel hydroxyphosphate naturel de strontium,
 fer et aluminium (lulzacite), Sr2Fe(Fe0,63Mg0,37)2Al4(PO4)4(OH)10

atoms_sites:
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qdat:
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formula: (Ta2.18 Nb.82) (Li.96 Mn.03 Na.01) O8
compound: Murundu mine, the Jenipapo District, Itinga, Minas Gerais, Brazil
pub_title: Lithiotantite, ideally LiTa3O8
formula_title: <missing>
a: 7.4425
b: 5.0493
c: 15.2452
alpha: 90
beta: 107.381
gamma: 90
cell_volume: 546.747
crystal_density: 7.376
atoms_x: CKItAAiiLQC4ajwAuGo8AICTHgCAkx4A8JcOAPCXDgDwlw4AIAMAAAB9GQDQtS4AgMMgAIDPNwBASCcAwAY0ALDQEAA=
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atoms_sites:
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formula: Sb3.23 Mn1.76 Pb2.12 As1.89 Ag S12
compound: Uchucchacua, Lima Department, Peru
formula_title: <missing>
a: 19.233
b: 12.633
c: 8.476
alpha: 90
beta: 90.08
gamma: 90
cell_volume: 2059.416
crystal_density: 5.043
pub_title:
 Menchettiite, AgPb2.40Mn1.60Sb3As2S12, a new sulfosalt,
 belonging to the lillianite series from the Uchucchacua polymetallic
 deposit, Lima Department, Peru
 Note site occupancy model I

atoms_sites:
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formula: Mn1.6 Pb2.28 As1.89 Sb3.15 Ag S12
compound: Uchucchacua, Lima Department, Peru
formula_title: <missing>
a: 19.233
b: 12.633
c: 8.476
alpha: 90
beta: 90.08
gamma: 90
cell_volume: 2059.416
crystal_density: 5.090
pub_title:
 Menchettiite, AgPb2.40Mn1.60Sb3As2S12, a new sulfosalt,
 belonging to the lillianite series from the Uchucchacua polymetallic
 deposit, Lima Department, Peru
 Note site occupancy model II

atoms_sites:
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atoms_aniso_label:
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formula: Na.79 K.26 Mg1.85 Fe6.82 V.01 Al.32 Si5.94 B3.06 O31 H3.3
compound: San Francisco mine, Villa Tu nari, Bolivia
formula_title: <missing>
a: 16.186
b: 16.186
c: 7.444
alpha: 90
beta: 90
gamma: 120
cell_volume: 1688.947
crystal_density: 3.429
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula
 Sample: Povondraite 144478

atoms_sites:
["NaX", "KX", "MgY", "Fe2Y", "VY", "Fe3Y", "AlZ", "Fe3Z", "MgZ", "SiT", "BT", "B", "O1", "O-H1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "H3"]

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qdat:
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formula: (Na.99 Ca.01) Fe3.828 Mg1.269 V.021 Al3.42 Ti.402 Si6 B3 O31 H3.6
compound: Silver Crater, Hastings Co., Ontario, Canada
formula_title: <missing>
a: 16.073
b: 16.073
c: 7.306
alpha: 90
beta: 90
gamma: 120
cell_volume: 1634.573
crystal_density: 3.294
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula
 Sample: Schorl 2672

atoms_sites:
["NaX", "CaX", "Fe2Y", "MgY", "VY", "AlZ", "Fe3Z", "MgZ", "TiZ", "SiT", "B", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "H1", "H3"]

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formula: Na.96 Fe1.939 Al6.24 Mg.7 Li.021 Ti.208 Si5.802 B3.09 O30.81 F.19 H3.41
compound: York River, Hastings Co., Ontario, Canada
formula_title: <missing>
a: 15.990
b: 15.990
c: 7.195
alpha: 90
beta: 90
gamma: 120
cell_volume: 1593.156
crystal_density: 3.196
atoms_aniso_label: "<missing>"
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atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula
 Sample: Shorl 49356

atoms_sites:
["NaX", "Fe2Y", "AlY", "MgY", "LiY", "AlZ", "Fe2Z", "MgZ", "TiZ", "SiT", "BT", "TiT", "B", "O-H1", "F1", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "H3"]

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formula: Na.49 Fe2.106 Al6.393 Li.09 Mg.171 Mn.081 Zn.159 Si5.898 B3.102 O31 H3.65
compound: Cross Lake, Manitoba, Canada
formula_title: <missing>
a: 15.972
b: 15.972
c: 7.160
alpha: 90
beta: 90
gamma: 120
cell_volume: 1581.839
crystal_density: 3.212
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula
 Sample: Schorl CROSS

atoms_sites:
["NaX", "Fe2Y", "AlY", "LiY", "MgY", "MnY", "ZnY", "AlZ", "FeZ", "SiT", "BT", "B", "O-H1", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "H3"]

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formula: Na.88 Ca.04 Fe2.53 Al6.41 Mg.06 Si5.83 B3.1 Ti.07 F.74 O30.26 H1.35
compound: Mapimi, Durango, Mexico
formula_title: <missing>
a: 15.874
b: 15.874
c: 7.196
alpha: 90
beta: 90
gamma: 120
cell_volume: 1570.343
crystal_density: 3.292
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula
 Sample: Buergerite 43293

atoms_sites:
["NaX", "CaX", "Fe3Y", "AlY", "Fe2Y", "MgY", "AlZ", "FeZ", "SiT", "BT", "TiT", "B", "F1", "O1", "O2", "O3", "O-H3", "O4", "O5", "O6", "O7", "O8"]

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pub_title:
 Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula
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pub_title:
 Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula
 Sample: Dravite 43167

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pub_title:
 Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula
 Sample: Dravite 32008

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formula: Na.713 Ca.301 Mg2.7 Fe Al5.29 (Si5.94 Ti.06) B3 F.42 O30.58 H3.28
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pub_title:
 Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula
 Sample: Dravite 43873

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pub_title:
 Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula
 Sample: Dravite 43230

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pub_title:
 Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula
 Sample: Uvite 52210

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compound: Minas Gerais, Brazil
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pub_title:
 Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula
 Sample: Elbaite 55224

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formula: Ca2 Si F O5 H3
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formula_title: <missing>
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pub_title:
 Crystal structure of bultfonteinite, Ca4[SiO3(OH)]2F2*2H2O, from N'chwaning II mine
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formula: Al8.435 Fe.83 Zn.36 Sn O15 H
compound: Eastern Siberia, Irkutsk, Russia
pub_title: Crystal structure of nigerite-6H
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compound: Odenwald, southwest Germany
formula_title: <missing>
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alpha: 90
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gamma: 90
cell_volume: 6071.850
crystal_density: 5.756
pub_title:
 A chemical and structural re-examination of fettelite samples from the type locality,
 Odenwald, southwest Germany
 Sample: R100124

atoms_sites:
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formula: (Hg.786 Cu.213) Ag16 As4 S15
compound: Odenwald, southwest Germany
formula_title: <missing>
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b: 15.059
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alpha: 90
beta: 90.45
gamma: 90
cell_volume: 6085.000
crystal_density: 5.846
pub_title:
 A chemical and structural re-examination of fettelite samples from the type locality,
 Odenwald, southwest Germany
 Sample: R110042

atoms_sites:
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formula: (Na.67 Ca.33) Fe2 P2 O12 H7
compound: Toms quarry, South Australia
formula_title: <missing>
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b: 7.698
c: 9.768
alpha: 105.53
beta: 99.24
gamma: 90.09
cell_volume: 451.224
crystal_density: 2.954
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pub_title:
 Kapundaite, (Na,Ca)2Fe3+4(PO4)4(OH)3*5H2O, a new phosphate species from
 Toms quarry, South Australia: Description and structural
 relationship to melonjosephite

atoms_sites:
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formula: Ti
compound: Great Tolbachik Fissure Eruption (Kamchatka)
formula_title: <missing>
a: 2.95
b: 2.95
c: 4.68
alpha: 90
beta: 90
gamma: 120
cell_volume: 35.271
crystal_density: 4.508
atoms_sites: ["Ti"]
atoms_x: VVgUAA==
atoms_y: q7AoAA==
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atoms_aniso_u12: 0
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pub_title:
 Natural analog of alpha-titanium in the exhalation products of
 the Great Tolbachik Fissure Eruption (Kamchatka)

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formula: Cu3 As2 O8
compound: Second cinder cone, North Branch, Tolbach volcano, Kamchatka, Russia
formula_title: <missing>
a: 6.306
b: 8.643
c: 11.310
alpha: 90
beta: 92.26
gamma: 90
cell_volume: 615.947
crystal_density: 5.052
atoms_sites: ["Cu1", "Cu2", "Cu3", "As1", "As2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8"]
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Lammerite-beta, Cu3(AsO4)2 - a new mineral from fumaroles of the Great
 Fissure Tolbachic eruption (Kamchatka, Russia)

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formula: Mg Sb2 O6
compound: Synthetic
pub_title: The crystal structure of zinc metantimonate and similar compounds
formula_title: <missing>
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b: 4.63
c: 9.21
alpha: 90
beta: 90
gamma: 90
cell_volume: 197.434
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formula: Tl (Cu1.55 Fe.45) Se2
compound: Bukov, Czechoslovakia
pub_title: New data on bukovite, thalcusite, chalcothallite and rohaite
formula_title: <missing>
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b: 3.976
c: 13.70
alpha: 90
beta: 90
gamma: 90
cell_volume: 216.577
crystal_density: 7.451
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formula: Ag2.33 Bi3.67 (Sb.75 Pb.25) S8
compound: Alyaskitovoye ore deposit, Yakutia
formula_title: <missing>
a: 13.515
b: 4.098
c: 26.000
alpha: 90
beta: 93.00
gamma: 90
cell_volume: 1438.023
crystal_density: 6.549
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pub_title:
 Note on the definition of borodayevite [Ag5(Fe,Pb)Bi7]13(Sb,Bi)2S17
 Note: This structure is based on a theoretical construct, (4,8L)

atoms_sites:
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formula: Ag4.5 Bi7.4 Pb.6 Sb1.5 S16
compound: Alyaskitovoye ore deposit, Yakutia
formula_title: <missing>
a: 13.515
b: 4.098
c: 26.000
alpha: 90
beta: 93.00
gamma: 90
cell_volume: 1438.023
crystal_density: 6.586
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pub_title:
 Note on the definition of borodayevite [Ag5(Fe,Pb)Bi7]13(Sb,Bi)2S17
 Note: This structure is based on a theoretical construct, (11P),
 and is probably not an good model for borodayevite

atoms_sites:
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formula: Ca5 Si3 O10.5 Cl
compound: Upper Chegem caldera, Kabardino-Balkaria, Northern Caucasus, Russia
formula_title: <missing>
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b: 16.9385
c: 17.3196
alpha: 90
beta: 90
gamma: 90
cell_volume: 1103.562
crystal_density: 2.938
atoms_sites: ["Ca1", "Ca2", "Ca3", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "Cl"]
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pub_title:
 Rusinovite, Ca10(Si2O7)3Cl2: a new skarn mineral from the Upper Chegem caldera,
 Kabardino-Balkaria, Northern Caucasus, Russia

qdat:
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formula: Ag O
compound: Synthetic
formula_title: AgO
a: 5.8517
b: 3.4674
c: 5.4838
alpha: 90
beta: 107.663
gamma: 90
cell_volume: 106.022
crystal_density: 7.760
atoms_sites: ["Ag1", "Ag2", "O"]
atoms_x: AAAAAICEHgDQ/xEA
atoms_y: AAAAAAAAAADgLRUA
atoms_z: AAAAAICEHgAwWQ0A
atoms_occupancy: 0
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Low-temperature structures of CuO and AgO and their
 relationships to those of MgO and PdO
 Note: T = 9 K

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formula: Ag2 S O4
compound: Synthetic
formula_title: Ag2SO4
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 Low-temperature structures of CuO and AgO and their
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 Zaccagnaite-3R, a new Zn-Al hydrotalcite polytype
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 A refinement of the crystal structure of copper(II) oxide,
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 A crystallographic contribution to the mechanism of a mechanically
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 Note: milling time = 36 min

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pub_title:
 A crystallographic contribution to the mechanism of a mechanically
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 Low-temperature structures of CuO and AgO and their
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pub_title:
 Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O
 Note: at room T after heating to T = 635 K

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pub_title:
 Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O
 Note: at room T after heating to T = 685 K

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pub_title:
 Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O
 Note: at room T after heating to T = 736 K


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pub_title:
 Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O
 Note: at room T after heating to T = 635 K, split Si model

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pub_title:
 Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O
 Note: at room T after heating to T = 685 K, split Si model


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pub_title:
 Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O
 Note: at room T after heating to T = 736 K, split Si model


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pub_title: Thermal behavior of afghanite, an ABABACAC member of the cancrinite group
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 Structural trends for celestite (SrSO4), anglesite (PbSO4), and barite (BaSO4):
 confirmation of expected variations within SO4 groups

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 Structural trends for celestite (SrSO4), anglesite (PbSO4), and barite (BaSO4):
 confirmation of expected variations within SO4 groups

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pub_title:
 Structural trends for celestite (SrSO4), anglesite (PbSO4), and barite (BaSO4):
 confirmation of expected variations within SO4 groups

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pub_title: The crystal structure of neptunite
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 Crystal structure and thermal expansion of aragonite-group carbonates
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 Note: T = 184 K

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pub_title:
 Crystal structure and thermal expansion of aragonite-group carbonates
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 Note: T = 224 K

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 Crystal structure and thermal expansion of aragonite-group carbonates
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 Note: T = 265 K

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pub_title:
 Crystal structure and thermal expansion of aragonite-group carbonates
 by single-crystal X-ray diffraction
 Note: T = 300 K, low-temperature experiment

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pub_title:
 Crystal structure and thermal expansion of aragonite-group carbonates
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 Note: T = 300 K, high-temperature experiment

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pub_title:
 Crystal structure and thermal expansion of aragonite-group carbonates
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 Note: T = 359 K

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formula: (Ca.997 Sr.003) C O3
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pub_title:
 Crystal structure and thermal expansion of aragonite-group carbonates
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 Note: T = 415 K

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formula: (Ca.997 Sr.003) C O3
compound: natural, unknown locality
formula_title: <missing>
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alpha: 90
beta: 90
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cell_volume: 229.395
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pub_title:
 Crystal structure and thermal expansion of aragonite-group carbonates
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 Note: T = 471 K

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formula: (Ca.997 Sr.003) C O3
compound: natural, unknown locality
formula_title: <missing>
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pub_title:
 Crystal structure and thermal expansion of aragonite-group carbonates
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 Note: T = 527 K

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formula: (Ba.981 Sr.019) C O3
compound: Hexham, Northumberland, England
formula_title: <missing>
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b: 8.9056
c: 6.4353
alpha: 90
beta: 90
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pub_title:
 Crystal structure and thermal expansion of aragonite-group carbonates
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 Note: T = 300 K

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formula: (Sr.853 Ca.147) C O3
compound: Dreisteinfurt, Westphalia, Germany
formula_title: <missing>
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alpha: 90
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cell_volume: 254.716
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pub_title:
 Crystal structure and thermal expansion of aragonite-group carbonates
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 Note: T = 300 K

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formula: Pb Ca.001 C O3
compound: Tsumeb, Namibia
formula_title: <missing>
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b: 8.4953
c: 6.1436
alpha: 90
beta: 90
gamma: 90
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pub_title:
 Crystal structure and thermal expansion of aragonite-group carbonates
 by single-crystal X-ray diffraction
 Note: T = 300 K

qdat:
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formula: Mn3 As2 O14 H10
compound: Monte Nero mine, Rocchetta Vara, La Spezia, Liguria, Italy
formula_title: <missing>
a: 5.5828
b: 9.7660
c: 5.5455
alpha: 94.467
beta: 111.348
gamma: 93.850
cell_volume: 279.260
crystal_density: 3.263
atoms_occupancy: 0
pub_title:
 Coralloite, Mn2+Mn3+2(AsO4)2(OH)2*4H2O, a new mixed valence Mn hydrate arsenate:
 crystal structure and relationships with bermanite and whitmoreite mineral groups

atoms_sites:
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formula: U P O9 (Na H6)
compound: Lake Boga Granite, Victoria, Australia
formula_title: <missing>
a: 6.9935
b: 6.9935
c: 17.5101
alpha: 90
beta: 90
gamma: 90
cell_volume: 856.402
crystal_density: 3.428
atoms_sites: ["U", "P", "O1", "O2", "O3", "Na4", "Wat4"]
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pub_title:
 The crystal structure of metanatroautunite, Na[(UO2)(PO4)](H2O)3,
 from the Lake Boga Granite, Victoria, Australia
 Note: z-coordinate of U changed from .40959 to match reported bond lengths

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formula: Fe Ti3 O7
compound: Synthetic
formula_title: FeTi3O7
a: 9.9522
b: 2.7397
c: 5.9953
alpha: 90
beta: 90
gamma: 90
cell_volume: 163.468
crystal_density: 6.328
atoms_sites: ["Fe1", "Ti1", "Ti2", "O1", "O2", "O3", "O4"]
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atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 High-pressure and high-temperature phase transitions in FeTiO3
 and a new dense FeTi3O7 structure
 Note: P = 61 GPa, T = 300 K

qdat:
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formula: Na.67 Ca.02 K.01 Mn1.341 Al7.14 Li.54 Ti.039 Si5.94 B3.06 O30.59 F.41 H6.39
compound: Grotta d'Oggi, San Pietro in Campo, island of Elba, Italy
formula_title: <missing>
a: 15.9461
b: 15.9461
c: 7.1380
alpha: 90
beta: 90
gamma: 120
cell_volume: 1571.868
crystal_density: 3.144
pub_title:
 Tsilaisite, NaMn3Al6(Si6O18)(BO3)3(OH)3OH, a new mineral species of the tourmaline
 supergroup from Grotta d'Oggi, San Pietro in Campo, island of Elba, Italy
 Note: this dataset represents the standard tourmaline model

atoms_sites:
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formula: Na.754 (Mn1.848 Li1.152) Al6 B3 Si6 O31 H3
compound: Grotta d'Oggi, San Pietro in Campo, island of Elba, Italy
formula_title: <missing>
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b: 15.9461
c: 7.1380
alpha: 90
beta: 90
gamma: 120
cell_volume: 1571.868
crystal_density: 3.133
atoms_sites: ["NaX", "MnY", "LiY", "AlZ", "B", "Si", "O1", "O2", "O3", "H3", "O4", "O5", "O6", "O7", "O8"]
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pub_title:
 Tsilaisite, NaMn3Al6(Si6O18)(BO3)3(OH)3OH, a new mineral species of the tourmaline
 supergroup from Grotta d'Oggi, San Pietro in Campo, island of Elba, Italy
 Note: this dataset represents the split atom model

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compound: Lovozero
formula_title: <missing>
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crystal_density: 2.390
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pub_title:
 Crystal chemistry of cancrinite-group minerals with an AB-type framework:
 A review and new data. I. Chemical and structural variations
 Note: Sample# u1631

atoms_sites:
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compound: Kovdor
formula_title: <missing>
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cell_volume: 723.006
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atoms_aniso_u13: 0
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pub_title:
 Crystal chemistry of cancrinite-group minerals with an AB-type framework:
 A review and new data. I. Chemical and structural variations
 Note: Sample# Kovd15/1

atoms_sites:
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formula: Si3.33 Al2.67 O15.165 Na3.91 Ca.09 C.722 H1.998
compound: Kovdor
formula_title: <missing>
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c: 5.118
alpha: 90
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pub_title:
 Crystal chemistry of cancrinite-group minerals with an AB-type framework:
 A review and new data. I. Chemical and structural variations
 Note: Sample# Kovd5

atoms_sites:
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formula: Si3.3 Al2.7 O15.207 Na3.73 Ca.21 C.736 H1.998
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formula_title: <missing>
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pub_title:
 Crystal chemistry of cancrinite-group minerals with an AB-type framework:
 A review and new data. I. Chemical and structural variations
 Note: Sample# kir2343

atoms_sites:
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formula_title: <missing>
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pub_title:
 Crystal chemistry of cancrinite-group minerals with an AB-type framework:
 A review and new data. I. Chemical and structural variations
 Note: Sample# tz3/1

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pub_title:
 Crystal chemistry of cancrinite-group minerals with an AB-type framework:
 A review and new data. I. Chemical and structural variations
 Note: Sample# tz5/1

atoms_sites:
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formula: Si3.21 Al2.79 O15.207 Na3.7 Ca.27 C.736 H1.998
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formula_title: <missing>
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pub_title:
 Crystal chemistry of cancrinite-group minerals with an AB-type framework:
 A review and new data. I. Chemical and structural variations
 Note: Sample# 11/1

atoms_sites:
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formula: Si3.09 Al2.91 O15.312 Na3.255 Ca.6 C.771 H1.998
compound: Ilmeny Mountains, southern Urals, Russia
formula_title: <missing>
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pub_title:
 Crystal chemistry of cancrinite-group minerals with an AB-type framework:
 A review and new data. I. Chemical and structural variations
 Note: Sample# mmf28962

atoms_sites:
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compound: Dakhuunur
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pub_title:
 Crystal chemistry of cancrinite-group minerals with an AB-type framework:
 A review and new data. I. Chemical and structural variations
 Note: Sample# mmf62633/2

atoms_sites:
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formula: Si3.18 Al2.82 O15.549 Na3.49 Ca.51 C.85 H1.998
compound: Vishnevye Mountains
formula_title: <missing>
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pub_title:
 Crystal chemistry of cancrinite-group minerals with an AB-type framework:
 A review and new data. I. Chemical and structural variations
 Note: Sample# ggm44331

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formula: Ti S
compound: Synthetic
pub_title: Zur Kristallstruktur der Titansulfide
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formula: Ca1.16 Mn.128 Nd.712 Al2.036 Fe.964 Si3 O13 H
compound: Askagen pegmatite, Varmland, Sweden
pub_title: Allanite-(Nd), CaNdAl2Fe2+(SiO4)(Si2O7)O(OH), a new mineral from Askagen, Sweden
formula_title: <missing>
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cell_volume: 465.751
crystal_density: 3.981
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formula: Ca6 Si3 O13 H2
compound: the Birkhin gabbro massif, Eastern Siberia, Russia
formula_title: <missing>
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gamma: 98.195
cell_volume: 597.495
crystal_density: 2.972
atoms_occupancy: 0
pub_title:
 Chlorine content and crystal chemistry of dellaite from the Birkhin
 gabbro massif, Eastern Siberia, Russia
 Note: Cl-free dellaite

atoms_sites:
["Ca1", "Ca2", "Ca3", "Ca4", "Ca5", "Ca6", "Si1", "Si2", "Si3", "O1", "O2", "O3", "O4", "O5", "O-h6", "O7", "O-h8", "O9", "O10", "O11", "O12", "O13", "H6", "H8"]

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formula: Ca6 Si3 O12.714 Cl.286 H1.72
compound: the Birkhin gabbro massif, Eastern Siberia, Russia
formula_title: <missing>
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pub_title:
 Chlorine content and crystal chemistry of dellaite from the Birkhin
 gabbro massif, Eastern Siberia, Russia
 Note: Cl-containing dellaite

atoms_sites:
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formula: Ca Mg.464 Zn2.036 Mn Fe2 P4 O25 H16
compound: Palermo No. 1 pegmatite, North Groton, New Hampshire
formula_title: <missing>
a: 6.3868
b: 21.260
c: 15.365
alpha: 90
beta: 90.564
gamma: 90
cell_volume: 2086.210
crystal_density: 2.837
pub_title:
 Falsterite, Ca2MgMn2+2(Fe2+0.5Fe3+0.5)4Zn4(PO4)8(OH)4(H2O)14, a new secondary
 phosphate mineral from the Palermo No. 1 pegmatite, North Groton, New Hampshire

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formula: Ca3 Si2 O7
compound: Birkhin massif, Baikal Lake area, North Caucasus, Russia
formula_title: <missing>
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b: 5.08670
c: 21.9963
alpha: 90
beta: 90
gamma: 90
cell_volume: 1281.404
crystal_density: 2.990
atoms_sites: ["Ca1", "Ca2", "Ca3", "Ca4", "Si1", "Si2", "Si3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8"]
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pub_title:
 Pavlovskyite Ca8(SiO4)2(Si3O10): a new mineral of altered silicate-carbonate
 xenoliths from the two Russian type localities, Birkhin massif,
 Baikal Lake area and Upper Chegem caldera, North Caucasus

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formula: Ca8 Si5 O18
compound: Birkhin massif, Baikal Lake area, North Caucasus, Russia
formula_title: <missing>
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b: 11.4165
c: 28.6408
alpha: 90
beta: 90
gamma: 90
cell_volume: 1662.714
crystal_density: 2.992
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pub_title:
 Pavlovskyite Ca8(SiO4)2(Si3O10): a new mineral of altered silicate-carbonate
 xenoliths from the two Russian type localities, Birkhin massif,
 Baikal Lake area and Upper Chegem caldera, North Caucasus

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formula: Fe.71 Al7.29 P6 O48 H42
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pub_title:
 The crystal structure determination and redefinition of
 matulaite, Fe3+Al7(PO4)4(PO3OH)2(OH)8(H2O)8*8H2O

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formula: Pb8 Mg9 Si10 C3 (O48 H10)
compound: Harstigen, Filipstad, Sweden
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pub_title:
 Molybdophyllite: crystal chemistry, crystal structure, OD character and
 modular relationships with britvinite
 Sample 221135

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compound: Perovskitovaya Kop', Chuvashskie Mountains, Southern Urals, Russia
pub_title: Hydroxylchondrodite Mg5(SiO4)2(OH)2: a new mineral of the humite group and its crystal structure
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 Texture and structural refinement using neutron diffraction data from
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 Texture and structural refinement using neutron diffraction data from
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 Texture and structural refinement using neutron diffraction data from
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pub_title:
 Texture and structural refinement using neutron diffraction data from
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pub_title:
 Texture and structural refinement using neutron diffraction data from
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 Note: Aged

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pub_title:
 Texture and structural refinement using neutron diffraction data from
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pub_title:
 Texture and structural refinement using neutron diffraction data from
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pub_title:
 Texture and structural refinement using neutron diffraction data from
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formula: Sr B6 O14 H8
compound: Jenifer mine, Kramer borate district, California, USA
pub_title: Boron-oxygen polyanion in the crystal structure of tunellite
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formula: Nd7.53 Y3.72 Ca2.53 Na1.17 Mn.93 Th.09 Pb.03 Fe.83 Ti.02 Si6.26 B3 P.7 As.04 O34 F14
compound: Tommot REE-Nb deposit in Yakutia, Russia
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pub_title:
 Proshchenkoite-(Y) from Russia - a new mineral species in the vicanite group:
 Descriptive data and crystal structure

atoms_sites:
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formula: Sm7.71 Y4.38 Ca3.15 Na.27 Mn.03 Al.66 Fe.27 Si6.69 B3 As.48 P.05 O39.64 F11.16
compound: Hundholmen, Tysfjord, Nordland County, Norway
formula_title: <missing>
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pub_title:
 Hundholmenite-(Y) from Norway - a new mineral species in the vicanite group:
 descriptive data and crystal structure

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formula: Y1.96 Ca1.52 Ce.35 La.06 Nd.33 Yb.18 Dy.15 Er.15 Gd.12 Sm.12 Pr.06 Mn.03 Si3 O12 F
compound: Lagmannsvik, Hamaroy, Nordland, Norway
pub_title: Fluorbritholite-(Y), (Y,Ca,Ln)5[(Si,P)O4]3F, a new mineral of the britholite group
formula_title: <missing>
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formula: Mg Ca4 F2 U2 O39.28 C6 H34.56
compound: Joachimsthal, Bohemia
pub_title: Description and crystal structure of albrechtschaufite, MgCa4F2[UO2(CO3)3]2*17-18H2O
formula_title: <missing>
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formula: Sr2 B11 O22 H7
compound: Inderskii formation, Kazakh SSR
formula_title: <missing>
a: 6.70
b: 20.80
c: 6.60
alpha: 90
beta: 119.25
gamma: 90
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pub_title:
 The crystal structure of the natural strontium borate, p-veatchite,
 Sr2[B5O8(OH)]2*B(OH)3*H2O
 Note: polytype veatchite-1M, formally known as veatchite-p

atoms_sites:
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formula: K2.463 Na1.537 U C3 O12 H2
compound: Jachymov, Czech Republic
formula_title: <missing>
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b: 9.2507
c: 8.1788
alpha: 90
beta: 90
gamma: 120
cell_volume: 606.135
crystal_density: 3.286
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pub_title:
 The crystal chemistry of the uranyl carbonate mineral grimselite,
 (K,Na)3Na[(UO2)(CO3)3](H2O), from Jachymov, Czech Republic
 Note: Sample A

qdat:
AAAAAAAAAAAAAgAAAAIAAACAACQACQAAAAUADAAQEQAgAIFQBAASpDBAgkYBBJEAFYCBKSYQDRAhDQlUkSOkQWqKI0UEJK6yYrCVBRtLlLxrQjm61S221SalcWvF2rmqu7u7GbpV/Zd8+I4yC3ffVnfPXN6yzuV0e6aPPY==


formula: K3 Na U C3 O12 H2
compound: Jachymov, Czech Republic
formula_title: <missing>
a: 9.3000
b: 9.3000
c: 8.2940
alpha: 90
beta: 90
gamma: 120
cell_volume: 621.242
crystal_density: 3.252
atoms_sites: ["K", "Na", "U", "C", "O1", "O2", "O3", "O4", "Wat5"]
atoms_x: oNURAFVYFACrsCgAIF08AFAQOwAwujMAq7AoAJDRBwAAAAAA
atoms_y: AAAAAKuwKABVWBQAAJMmAMAsHQAwciYAVVgUAGBTLgAAAAAA
atoms_z: AAAAAMDGLQDAxi0AwMYtAMDGLQDAxi0AIOY6AMDGLQBA7wcA
atoms_occupancy: AAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQCAhB4A
atoms_u_iso: AD8CAOClAQDQAQEAwFcBAECWAQBgZwEAYOQBAECWAQBgVQQA
atoms_aniso_label: ["K", "Na", "U", "C", "O1", "O2", "O3", "O4", "Wat5"]
atoms_aniso_u11: QJACACDFAQDQ6AAAIEgBAECcAABAGQEAwNQBAGBnAQDgEAUA
atoms_aniso_u22: gDICACDFAQDQ6AAAAPoAAIA4AQCAMgIAwNQBAAB3AQDgEAUA
atoms_aniso_u33: YOQBAMBXAQDQMwEAgLUBAADuAgDgIgIAQBMCAEANAwBADQMA
atoms_aniso_u12: IBYBAHDfAAAwdQAAoIwAAAB9AACgCQEAYOoAAAB9AAAAcQIA
atoms_aniso_u13: MEMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA
atoms_aniso_u23: oIwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA
pub_title:
 The crystal chemistry of the uranyl carbonate mineral grimselite,
 (K,Na)3Na[(UO2)(CO3)3](H2O), from Jachymov, Czech Republic
 Note: Sample B

qdat:
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