# cif

formula: Na Al S2 O19 H22
compound: <missing>
formula_title: <missing>
a: 21.75
b: 9.11
c: 8.30
alpha: 90
beta: 92.47
gamma: 90
cell_volume: 1643.055
crystal_density: 1.780
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pub_title:
 Crystal structures and mineral chemistry of double-salt hydrates: II. The
 crystal structure of mendozite, NaAl(SO4)2.11H2O

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formula: Si5 Al13 O34.16 H14.16 F3.84 Cl
compound: <missing>
pub_title: Aluminium-silicon distribution in zunyite
formula_title: <missing>
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b: 13.860
c: 13.860
alpha: 90
beta: 90
gamma: 90
cell_volume: 2662.500
crystal_density: 2.895
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formula: K4 S4 Mg4 Cl4 O27 H22
compound: Stassfurt, Germany
pub_title: The crystal structure of kainite
formula_title: <missing>
a: 19.72
b: 16.23
c: 9.53
alpha: 90
beta: 94.92
gamma: 90
cell_volume: 3038.891
crystal_density: 2.137
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formula: Na (Mn.93 Fe.07) P O4
compound: <missing>
pub_title: Natrophilite, NaMn(PO4), has ordered cations
formula_title: <missing>
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b: 4.987
c: 6.312
alpha: 90
beta: 90
gamma: 90
cell_volume: 331.242
crystal_density: 3.468
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formula: Na Be Si3 O8 H
compound: <missing>
formula_title: <missing>
a: 12.63
b: 7.38
c: 14.02
alpha: 90
beta: 103.72
gamma: 90
cell_volume: 1269.508
crystal_density: 2.566
atoms_sites: ["Na", "Be", "Si1", "Si2", "Si3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "Wat"]
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pub_title:
 Redetermination of the crystal structure of eudidymite and its dimorphic
 relationship to epididymite

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formula: Ca3 Mg Si2 O8
compound: <missing>
formula_title: <missing>
a: 13.254
b: 5.293
c: 9.328
alpha: 90
beta: 91.90
gamma: 90
cell_volume: 654.031
crystal_density: 3.338
atoms_sites: ["Ca1", "Ca2", "Ca3", "Mg", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8"]
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pub_title:
 Atomic arrangement of merwinite, Ca3Mg[SiO4]2, an unusual dense-packed
 structure of geophysical interest

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formula: Fe K S2 O8
compound: <missing>
pub_title: The crystal structure of yavapaiite: A discussion
formula_title: <missing>
a: 8.150
b: 5.162
c: 7.855
alpha: 90
beta: 94.87
gamma: 90
cell_volume: 329.269
crystal_density: 2.895
atoms_sites: ["Fe", "K", "S", "O1", "O2", "O3"]
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formula: Na3 K (Al3.6 Si4.4) O15.999
compound: <missing>
pub_title: Refinement of the crystal structure of a volcanic nepheline
formula_title: <missing>
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b: 10.003
c: 8.381
alpha: 90
beta: 90
gamma: 120
cell_volume: 726.251
crystal_density: 2.674
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formula: Rb (Si2.912 Fe1.088) O8
compound: <missing>
pub_title: Crystal structure of a rubidium iron feldspar
formula_title: RbFeSi3O8
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b: 13.127
c: 7.359
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gamma: 89.35
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formula: As Ca Mg O4 F
compound: <missing>
pub_title: The crystal structure of tilasite
formula_title: <missing>
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b: 8.944
c: 7.570
alpha: 90
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gamma: 90
cell_volume: 387.447
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compound: <missing>
formula_title: <missing>
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c: 15.6774
alpha: 90
beta: 108.861
gamma: 90
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pub_title:
 Electron population analysis of accurate diffraction data. V. Structure and
 one-center charge refinement of the light-atom mineral kernite,
 Na2B4O6(OH)2.3H2O
 high order refinement

atoms_sites:
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compound: <missing>
formula_title: <missing>
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b: 9.1582
c: 15.6774
alpha: 90
beta: 108.861
gamma: 90
cell_volume: 953.409
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pub_title:
 Electron population analysis of accurate diffraction data. V. Structure and
 one-center charge refinement of the light-atom mineral kernite,
 Na2B4O6(OH)2.3H2O
 Extended L-Shell refinement

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pub_title: The crystal structures of the humite minerals. IV. Clinohumite and titanoclinohumite
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pub_title: The crystal structure of elpidite
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pub_title: The crystal structure of ezcurrite
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formula: Fe4.69 S6 O46 H42
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pub_title:
 Crystal structures and mineral chemistry of hydrated ferric sulphates. III. The
 crystal structure of kornelite

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pub_title:
 High-temperature crystal chemistry of hortonolite
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 Note: variety hortonolite

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pub_title:
 High-temperature crystal chemistry of hortonolite
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 Note: variety hortonolite

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pub_title:
 High-temperature crystal chemistry of hortonolite
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 Note: variety hortonolite

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pub_title:
 High-temperature crystal chemistry of hortonolite
 sample #12052 T = 375 C
 Note: variety hortonolite

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pub_title:
 High-temperature crystal chemistry of hortonolite
 sample #12052 at T = 710 C
 Note: variety hortonolite

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pub_title:
 The crystal structures of forsterite and hortonolite at several temperatures
 up to 900 C
 T = 25 C

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pub_title:
 The crystal structures of forsterite and hortonolite at several temperatures
 up to 900 C
 T = 300 C

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pub_title:
 The crystal structures of forsterite and hortonolite at several temperatures
 up to 900 C
 T = 600 C

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pub_title:
 The crystal structures of forsterite and hortonolite at several temperatures
 up to 900 C
 T = 900 C

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compound: Franklin, New Jersey, USA
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pub_title:
 The crystal structures of forsterite and hortonolite at several temperatures
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 Note: variety hortonolite
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pub_title:
 The crystal structures of forsterite and hortonolite at several temperatures
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pub_title:
 The crystal structures of forsterite and hortonolite at several temperatures
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pub_title:
 The crystal structures of forsterite and hortonolite at several temperatures
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pub_title:
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pub_title:
 High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
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pub_title:
 High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
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pub_title:
 High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
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 High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
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pub_title:
 High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
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 High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
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 High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
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 High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
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pub_title:
 High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
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 High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
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 High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
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 High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
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 High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
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pub_title:
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 note temperature factors for O1b appear incorrect

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pub_title: An orthopyroxene structure up to 850 C T = 850 C
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 Crystal-structure refinement of cubic boracite
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pub_title: The crystal structure of teruggite
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formula: Na2.31 Ca.5 Mn.5 Fe4 Mg.5 Al1.5 P6 O24
compound: Victory mine pegmatite, near Custer, South Dakota, USA
formula_title: <missing>
a: 11.868
b: 12.382
c: 6.354
alpha: 90
beta: 114.52
gamma: 90
cell_volume: 849.512
crystal_density: 3.700
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pub_title:
 Contribution to pegmatite phosphate giant crystal paragenesis: II. The crystal
 chemistry of wyllieite, Na2Fe2Al[PO4]3, a primary phase

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formula: Ba Al2 P2 O10 H2
compound: <missing>
pub_title: The crystal structure of jagowerite: BaAl2P2O8(OH)2
formula_title: <missing>
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formula: Al Si3 Na2 H O9
compound: Lovozero alkali massif, Russia
pub_title: The crystal structure of ussingite
formula_title: <missing>
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b: 7.686
c: 8.683
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beta: 99.75
gamma: 122.48
cell_volume: 399.436
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formula: Ca K2 C2 O6
compound: <missing>
pub_title: Synthesis, properties and structure of K2Ca(CO3)2, buetschliite
formula_title: <missing>
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formula: Si Co2 O4
compound: <missing>
pub_title: Crystal structures of three polymorphs of Co2SiO4 olivine
formula_title: Co2SiO4
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b: 10.302
c: 6.003
alpha: 90
beta: 90
gamma: 90
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formula: Si Co2 O4
compound: <missing>
pub_title: Crystal structures of three polymorphs of Co2SiO4 wadsleyite
formula_title: Co2SiO4
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b: 11.524
c: 8.340
alpha: 90
beta: 90
gamma: 90
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formula: (Si Co2) O4
compound: <missing>
pub_title: Crystal structures of three polymorphs of Co2SiO4 spinel
formula_title: Co2SiO4
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b: 8.138
c: 8.138
alpha: 90
beta: 90
gamma: 90
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formula: (Fe2.001 Si.999) O4
compound: Synthetic
pub_title: Crystal structures of spinel polymorphs of Fe2SiO4 and Ni2SiO4
formula_title: <missing>
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b: 8.234
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beta: 90
gamma: 90
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formula: (Ni1.985 Si1.015) O4
compound: <missing>
pub_title: Crystal structures of spinel polymorphs of Fe2SiO4 and Ni2SiO4
formula_title: Ni2SiO4
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formula: Si Al2 Ca O6
compound: <missing>
pub_title: Structure and crystal chemistry of calcium Tschermak's pyroxene, CaAlAlSiO6
formula_title: <missing>
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b: 8.652
c: 5.274
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beta: 106.06
gamma: 90
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formula: (Ba.9 Sr.1) (Mn.9 Fe.9 Mg.2) Al2 P3 O15 H3
compound: <missing>
pub_title: Bjarebyite, Ba(Mn,Fe)2Al2(OH)3[PO4]3: Its atomic arrangement
formula_title: <missing>
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c: 4.917
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gamma: 90
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crystal_density: 3.989
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atoms_sites:
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formula: Cu1.77 Zn1.23 P O9 H7
compound: Arakawa mine, Japan
formula_title: <missing>
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b: 10.2244
c: 7.5322
alpha: 90
beta: 103.18
gamma: 90
cell_volume: 736.901
crystal_density: 3.379
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pub_title:
 Structural chemistry of copper and zinc minerals. Part I. Veszelyite,
 (Cu,Zn)2ZnPO4(OH)3*2H2O: A novel type of sheet structure and crystal
 chemistry of copper-zinc substitution

atoms_sites:
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compound: <missing>
formula_title: <missing>
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pub_title:
 Crystal structures and mineral chemistry of hydrated ferric sulfates. IV. The
 crystal structure of quenstedtite

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pub_title:
 Montgomeryite, Ca4Mg(H2O)12[Al4(OH)4(PO4)6]:. Its crystal structure and
 relation to Vauxite, Fe2(H2O)4[Al4(OH)4(H2O)4(PO4)4].4H2O

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formula: Fe2.59 Mn.27 P2 O14 H10
compound: <missing>
pub_title: Whitmoreite, FeFe2(OH)2(H2O)4[PO4]2, a new species: Its description and atomic arrangement
formula_title: <missing>
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formula: Ca P Be O5 H
compound: <missing>
pub_title: A refinement of the crystal structure of herderite, CaBePO4OH
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formula: Ca Mn Mg2 Fe2 P4 O26 H18
compound: Tip Top mine, Custer Country, South Dakota, USA
formula_title: <missing>
a: 14.94
b: 7.14
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pub_title:
 Jahnsite, CaMnMg2(H2O)8Fe2(OH)2[PO4]4: A novel stereoisomerism of
 ligands about octahedral corner-chains

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formula: Al4 P3 O15 H3
compound: <missing>
pub_title: Trolleite, Al4(OH)3[PO4]3: A very dense structure with octahedral face-sharing dimers
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formula: Mn2.16 Mg3.62 Fe.02 B2 O10
compound: Langban, Sweden
formula_title: <missing>
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b: 5.977
c: 5.341
alpha: 90
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cell_volume: 692.008
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pub_title:
 Pinakiolite, Mg2MnO2[BO3]; warwickite, Mg(Mg0.5Ti0.5)O[BO3]; wightmanite,
 Mg5(O)(OH)5[BO3].nH2O: Crystal chemistry of complex 3 Angstrom wallpaper
 structures

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formula: (Mg1.58 Ti.42) B O4
compound: Warwick, Orange County, New York, USA
formula_title: <missing>
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c: 3.085
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beta: 90
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pub_title:
 Pinakiolite, Mg2MnO2[BO3]; warwickite, Mg(Mg0.5Ti0.5)O[BO3]; wightmanite,
 Mg5(O)(OH)5[BO3].nH2O: Crystal chemistry of complex 3 Angstrom wallpaper
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formula: Na2 B5 O10 H3
compound: <missing>
pub_title: The crystal structure of biringuccite, Na4[B10O16(OH)2].2H2O
formula_title: <missing>
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formula: Ta2.12 Sn.47 Fe.01 Nb.3 Mn O8
compound: <missing>
formula_title: <missing>
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b: 11.490
c: 5.098
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beta: 91.21
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pub_title:
 The crystal chemistry of complex niobium and tantalum oxides II. Composition and
 structure of wodginite
 from Wodgina, Australia

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formula: Fe1.337 Mg.631 Ca.032 Si2 O6
compound: <missing>
pub_title: The high temperature crystal chemistry of clinohypersthene T = 20 C
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pub_title:
 The crystal structures of gillespite I and II: A structure determination at
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formula: Si (Ni1.03 Mg.97) O4
compound: <missing>
pub_title: Cation ordering in Ni-Mg olivine
formula_title: <missing>
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cell_volume: 286.057
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formula: Bi3 Pb Cu S6
compound: <missing>
formula_title: <missing>
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b: 11.200
c: 11.560
alpha: 90
beta: 90
gamma: 90
cell_volume: 518.276
crystal_density: 6.985
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pub_title:
 The crystal structure of krupkaite, CuPbBi3S6, from the Juno Mine at Tennant
 Creek, Northern Territory, Australia

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formula: Si2 Fe1.3 Ca.7 O6
compound: <missing>
pub_title: The effect of Ca-Fe substitution on the clinopyroxene crystal structure Fs65Wo35
formula_title: <missing>
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formula: Fe1.5 Ca.5 Si2 O6
compound: <missing>
pub_title: The effect of Ca-Fe substitution on the clinopyroxene crystal structure Fs75Wo25
formula_title: <missing>
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beta: 106.6
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formula: Fe1.6 Ca.4 Si2 O6
compound: <missing>
pub_title: The effect of Ca-Fe substitution on the clinopyroxene crystal structure Fs80Wo20
formula_title: <missing>
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formula: Si2 Fe1.7 Ca.3 O6
compound: <missing>
pub_title: The effect of Ca-Fe substitution on the clinopyroxene crystal structure Fs85Wo15
formula_title: <missing>
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formula: U2 Cu Si2 O18 H12
compound: Musonoi mine, Kolwezi, Katanga, Zaire
formula_title: <missing>
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b: 9.267
c: 6.655
alpha: 109.2
beta: 89.8
gamma: 110
cell_volume: 383.028
crystal_density: 3.884
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pub_title:
 Refinement of the crystal structure of cuprosklodowskite,
 Cu[(UO2)2(SiO3OH)2]*6(H2O)
 Note: y(U) was changed to reproduce reported bond lengths

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formula: Fe3 P2 O9 H2
compound: <missing>
pub_title: The Fe3(H2O)n[PO4]2 homologous series. II. The crystal structure of Fe3(H2O)[PO4]2
formula_title: Fe3(H2O)[PO4]2
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b: 10.066
c: 8.040
alpha: 90
beta: 117.6
gamma: 90
cell_volume: 676.401
crystal_density: 3.687
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formula: Sr Li2 Al4 P4 O20 H4
compound: Palermo pegmatite, near North Groton, New Hampshire, USA
formula_title: <missing>
a: 11.556
b: 15.847
c: 7.315
alpha: 90
beta: 90
gamma: 90
cell_volume: 1339.581
crystal_density: 3.259
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pub_title:
 Palermoite, SrLi2[Al4(OH)4(PO4)4]: Its atomic arrangement and relationship to
 carminite, Pb2[Fe4(OH)4(AsO4)4]

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formula: K Na Cu Si4 O10
compound: <missing>
pub_title: Re-examination and crystal structure analysis of litidionite
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c: 6.970
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gamma: 105.6
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formula: Bi8 Pb3 Cu2 S13.2 Se2.8
compound: <missing>
formula_title: <missing>
a: 26.66
b: 4.06
c: 17.03
alpha: 90
beta: 127.20
gamma: 90
cell_volume: 1468.260
crystal_density: 6.933
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pub_title:
 Junoite, Cu2Pb3Bi8(S,Se)16, a new sulfosalt from Tennant Creek, Australia:
 Its crystal structure and relationship with other bismuth sulfosalts

atoms_sites:
["Bi1", "Bi2", "Pb1", "Bi3", "Bi4", "Pb2", "Cu", "S1", "S2", "S3", "Se3", "S4", "S5", "S6", "S7", "S8", "Se8"]

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formula: Si4 Al.868 Fe.317 Mg.815 (Ca1.03 Na.97) O12
compound: <missing>
pub_title: The crystal structure of omphacite
formula_title: <missing>
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b: 8.776
c: 5.260
alpha: 90
beta: 106.8
gamma: 90
cell_volume: 423.576
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pub_title: The structure of pseudorutile and its role in the natural alteration of ilmenite
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pub_title: The Crystal Structure of Gillespite II at 26 Kilobars: Correction and Addendum
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pub_title:
 Foggite, Ca(H2O)2[CaAl2(OH)4(PO4)2]: Its atomic arrangement and
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pub_title:
 The formula, structure, and chemical bonding of tetradymite, Bi14Te13S8, and the
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 cell parameters were computed from those provided in the rhombohedral setting

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pub_title: Structural investigations on scholzite
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formula_title: <missing>
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pub_title:
 Painite, CaZrB[Al9O18]: Its crystal structure and relation to jeremejevite,
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pub_title: The crystal structure of tetragonal leucite
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pub_title:
 Structural chemistry of borosilicates, part II: Searlesite, NaBSi2O5(OH):
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 Note: unable to reproduce any of the reported bond lengths

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pub_title:
 The crystal structure of synthetic titanite, CaTiOSiO4, and the domain textures
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pub_title:
 Effects of temperature and pressure on the cell dimension and X-ray temperature
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pub_title:
 Effects of temperature and pressure on the cell dimension and X-ray temperature
 factors of periclase
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pub_title:
 Effects of temperature and pressure on the cell dimension and X-ray temperature
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formula: Mg O
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pub_title:
 Effects of temperature and pressure on the cell dimension and X-ray temperature
 factors of periclase
 T = 300 C, P = 1 atm

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formula: Mg O
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pub_title:
 Effects of temperature and pressure on the cell dimension and X-ray temperature
 factors of periclase
 T = 450 C, P = 1 atm

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formula: Mg O
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pub_title:
 Effects of temperature and pressure on the cell dimension and X-ray temperature
 factors of periclase
 T = 605 C, P = 1 atm

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formula: Mg O
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pub_title:
 Effects of temperature and pressure on the cell dimension and X-ray temperature
 factors of periclase
 T = 753 C, P = 1 atm

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formula: Mg O
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pub_title:
 Effects of temperature and pressure on the cell dimension and X-ray temperature
 factors of periclase
 T = 915 C, P = 1 atm

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formula: Mg O
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pub_title:
 Effects of temperature and pressure on the cell dimension and X-ray temperature
 factors of periclase
 T = 1042 C, P = 1 atm

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formula: Mg O
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pub_title:
 Effects of temperature and pressure on the cell dimension and X-ray temperature
 factors of periclase
 T = 23 C, P = 1 atm, mounted on a cryo-tip with Be shroud

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formula: Mg O
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pub_title:
 Effects of temperature and pressure on the cell dimension and X-ray temperature
 factors of periclase
 T = -196 C, P = 1 atm

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formula: Mg O
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pub_title:
 Effects of temperature and pressure on the cell dimension and X-ray temperature
 factors of periclase
 T = 23 C, P = 1 atm, in a high-pressure cell with absorption curve #1

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pub_title:
 Effects of temperature and pressure on the cell dimension and X-ray temperature
 factors of periclase
 T = 23 C, P = 1 atm, in a high-pressure cell with absorption curve #2


formula: Mg O
compound: <missing>
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pub_title:
 Effects of temperature and pressure on the cell dimension and X-ray temperature
 factors of periclase
 T = 23 C, P = 17 kbar

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formula: Mg O
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pub_title:
 Effects of temperature and pressure on the cell dimension and X-ray temperature
 factors of periclase
 T = 23 C, P = 24 kbar

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formula: Mg O
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pub_title:
 Effects of temperature and pressure on the cell dimension and X-ray temperature
 factors of periclase
 T = 23 C, P = 1 atm, in high-pressure cell after high-pressure


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pub_title:
 High-temperature structural study of the P2_1/a - A2/a phase transition in
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pub_title:
 High-temperature structural study of the P2_1/a - A2/a phase transition in
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pub_title:
 High-temperature structural study of the P2_1/a - A2/a phase transition in
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formula: Ca Ti Si O5
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formula_title: <missing>
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pub_title:
 High-temperature structural study of the P2_1/a - A2/a phase transition in
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formula: Ca Ti Si O5
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formula_title: <missing>
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pub_title:
 High-temperature structural study of the P2_1/a - A2/a phase transition in
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formula: Ca Al Si O5 H
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pub_title: The crystal structure of vuagnatite, CaAl(OH)SiO4
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formula_title: <missing>
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pub_title:
 Proudite from Tennant Creek, Northern Territory, Australia: Its crystal
 structure and relationship with weibullite and wittite

atoms_sites:
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pub_title:
 Scapolite crystal chemistry: Aluminum-silicon distributions, carbonate group
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pub_title:
 Scapolite crystal chemistry: Aluminum-silicon distributions, carbonate group
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pub_title:
 Braunite: its structure and relationship to bixbyite, and some insights on the
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 Effects of temperature and pressure on the crystal structure of forsterite
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 Effects of temperature and pressure on the crystal structure of forsterite
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 Effects of temperature and pressure on the crystal structure of forsterite
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pub_title:
 Effects of temperature and pressure on the crystal structure of forsterite
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pub_title:
 Effects of temperature and pressure on the crystal structure of forsterite
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pub_title:
 Effects of temperature and pressure on the crystal structure of forsterite
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pub_title:
 Effects of temperature and pressure on the crystal structure of forsterite
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pub_title:
 Effects of temperature and pressure on the crystal structure of forsterite
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pub_title: The structure of slawsonite, a strontium analog of paracelsian
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compound: Bastnas mine, Vastmanland, Sweden
pub_title: The crystal structure of lanthanite
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compound: amazonite pocket, Park County, Colorado, USA
pub_title: Barylite, BaBe2Si2O7: its space group and crystal structure
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formula: Zn Mn Fe3 P3 O23 H20
compound: Palermo pegmatite, North Groton, New Hampshire, USA
formula_title: <missing>
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b: 25.546
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alpha: 90
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pub_title:
 Schoonerite: its atomic arrangement
 Note: Wat1 x-coordinate changed from .260 to reproduce reported bond lengths

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compound: <missing>
pub_title: Minyulite: its atomic arrangement
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compound: <missing>
pub_title: The crystal structure of harkerite
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formula: Fe2 Si O4
compound: Synthetic
formula_title: <missing>
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alpha: 90
beta: 90
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cell_volume: 305.603
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pub_title:
 Effects of temperature and pressure on the crystal structure of ferromagnesian
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formula: Fe2 Si O4
compound: Synthetic
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alpha: 90
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pub_title:
 Effects of temperature and pressure on the crystal structure of ferromagnesian
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pub_title:
 Effects of temperature and pressure on the crystal structure of ferromagnesian
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formula: Fe2 Si O4
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pub_title:
 Effects of temperature and pressure on the crystal structure of ferromagnesian
 olivine
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formula: Fe2 Si O4
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pub_title:
 Effects of temperature and pressure on the crystal structure of ferromagnesian
 olivine
 T = 23 deg C, P = 42 kb

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formula: (Fe1.1 Mg.75 Mn.15) Si O4
compound: Franklin, New Jersey, USA
formula_title: <missing>
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pub_title:
 Effects of temperature and pressure on the crystal structure of ferromagnesian
 olivine
 T = 23 C, P = 1 atm , Evacuated silica capillary

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formula: (Fe1.1 Mg.75 Mn.15) Si O4
compound: Franklin, New Jersey, USA
formula_title: <missing>
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b: 10.420
c: 6.080
alpha: 90
beta: 90
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pub_title:
 Effects of temperature and pressure on the crystal structure of ferromagnesian
 olivine
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formula: (Fe1.1 Mg.75 Mn.15) Si O4
compound: Franklin, New Jersey, USA
formula_title: <missing>
a: 4.822
b: 10.460
c: 6.101
alpha: 90
beta: 90
gamma: 90
cell_volume: 307.723
crystal_density: 3.885
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pub_title:
 Effects of temperature and pressure on the crystal structure of ferromagnesian
 olivine
 T = 600 deg C, P = 1 atm

qdat:
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formula: (Fe1.1 Mg.75 Mn.15) Si O4
compound: Franklin, New Jersey, USA
formula_title: <missing>
a: 4.838
b: 10.490
c: 6.136
alpha: 90
beta: 90
gamma: 90
cell_volume: 311.406
crystal_density: 3.839
atoms_sites: ["Fe1", "Mg1", "Mn1", "Fe2", "Mg2", "Mn2", "Si", "O1", "O2", "O3"]
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pub_title:
 Effects of temperature and pressure on the crystal structure of ferromagnesian
 olivine
 T = 900 deg C,P = 1 atm

qdat:
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formula: K Si Al O3.996
compound: Larvik, Norway
formula_title: KAlSiO4
a: 5.153
b: 5.153
c: 8.682
alpha: 90
beta: 90
gamma: 120
cell_volume: 199.651
crystal_density: 2.630
atoms_sites: ["K", "Si", "Al", "O1", "O2"]
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pub_title:
 The structure of KAlSiO4 with P6_3mc symmetry
 Note: natural sample of kalsilite was mixed with powdered KCl and heated,
 it tranformed to this phase

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formula: Ni3 S2
compound: <missing>
pub_title: The crystal structure of heazlewoodite, and metallic bonds in sulfide minerals
formula_title: <missing>
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b: 4.0821
c: 4.0821
alpha: 89.475
beta: 89.475
gamma: 89.475
cell_volume: 68.014
crystal_density: 5.864
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qdat:
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formula: (Ni.97 Co.03) S.98 As.1 Sb.91 Bi.01
compound: <missing>
pub_title: Crystal structure refinement of arsenian ullmannite approximate cubic structure
formula_title: <missing>
a: 5.886
b: 5.886
c: 5.886
alpha: 90
beta: 90
gamma: 90
cell_volume: 203.920
crystal_density: 6.856
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formula: (Ni1.94 Co.06) S1.97 As.195 Sb1.815 Bi.02
compound: <missing>
pub_title: Crystal structure refinement of arsenian ullmannite
formula_title: <missing>
a: 5.886
b: 5.886
c: 5.886
alpha: 90
beta: 90
gamma: 90
cell_volume: 203.920
crystal_density: 6.846
atoms_u_iso: 0
atoms_sites:
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formula: Cu5 Si4 O14 H2
compound: <missing>
formula_title: <missing>
a: 9.885
b: 19.832
c: 5.3825
alpha: 90
beta: 90
gamma: 90
cell_volume: 1055.182
crystal_density: 4.130
atoms_sites: ["Cu1", "Cu2", "Cu3", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6", "O-h7", "H"]
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pub_title:
 The crystal chemistry of the hydrous copper silicates, shattuckite and
 plancheite
 Note: sample is from Ajo, Arizona

qdat:
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formula: Cu8 Si8 O27 H6
compound: <missing>
formula_title: <missing>
a: 19.043
b: 20.129
c: 5.269
alpha: 90
beta: 90
gamma: 90
cell_volume: 2019.695
crystal_density: 3.851
atoms_occupancy: 0
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atoms_aniso_u23: 0
pub_title:
 The crystal chemistry of the hydrous copper silicates, shattuckite and
 plancheite
 Note: sample is from Rioja, Argentina

atoms_sites:
["Cu1", "Cu2", "Cu3", "Cu4", "Si1", "Si2", "Si3", "Si4", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O-H12", "O-H13", "Wat14"]

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formula: Ca3 Si3 O10 H2
compound: <missing>
formula_title: <missing>
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b: 9.484
c: 6.812
alpha: 108.64
beta: 94.84
gamma: 95.89
cell_volume: 420.226
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pub_title:
 Rosenhahnite, Ca3Si3O8(OH)2: crystal structure and the stereochemical
 configuration of the hydroxylated trisilicate group, [Si3O8(OH)2]
 Note: sample is from Mendocino County, California

atoms_sites:
["Ca1", "Ca2", "Ca3", "Si1", "Si2", "Si3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "H1", "H2"]

atoms_aniso_label:
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qdat:
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formula: Mn5.45 Mg.55 Si As2 Zn3 O20 H8
compound: <missing>
formula_title: <missing>
a: 11.99
b: 31.46
c: 8.697
alpha: 90
beta: 90
gamma: 90
cell_volume: 3280.555
crystal_density: 4.110
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:
 Holdenite, a novel cubic close-packed structure
 Note: sample is from the zinc mines at Franklin, Sussex County, New Jersey, USA

atoms_sites:
["Mn1", "Mg1", "Mn2", "Mg2", "Mn3", "Mn4", "Si", "As", "Zn1", "Zn2", "O1", "O2", "O3", "O4", "O5", "O6", "O-H1", "O-H2", "O-H3", "O-H4", "O-H5"]

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formula: Ca Mg Al P2 O13 H9
compound: <missing>
pub_title: Overite, segelerite, and jahnsite: a study in combinatorial polymorphism
formula_title: <missing>
a: 14.723
b: 18.746
c: 7.107
alpha: 90
beta: 90
gamma: 90
cell_volume: 1961.513
crystal_density: 2.508
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formula: Ca Mg C2 O6
compound: <missing>
formula_title: <missing>
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pub_title:
 Structural refinements of dolomite and a magnesian calcite and implications for
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pub_title:
 Structural refinements of dolomite and a magnesian calcite and implications for
 dolomite formation in the marine environment
 Mg-calcite

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formula_title: <missing>
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pub_title:
 The structure of malayaite, CaSnOSiO4, a tin analog of titanite
 Note: sample is from Red-a-Ven mine, Meldon, Devonshire, England

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pub_title: A refinement of the structure of dioptase, Cu6[Si6O18]*6H2O Note: sample is from Reneville, Congo
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pub_title: The crystal structure of phosphophyllite
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formula: Fe24 K6 Li S26 Cl
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pub_title: X-ray study of K6LiFe24S26Cl, a djerfisherite-like compound
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compound: <missing>
formula_title: <missing>
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b: 10.0341
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beta: 90
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pub_title:
 Cation distribution and high-temperature crystal chemistry of armalcolite
 sample Arm-E, T = 24 deg C, before annealing

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pub_title:
 Cation distribution and high-temperature crystal chemistry of armalcolite
 sample Arm-E, T = 24 deg C, after annealing

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formula_title: <missing>
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beta: 90
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pub_title:
 Cation distribution and high-temperature crystal chemistry of armalcolite
 sample Arm-E, T = 1100 deg C

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pub_title:
 Cation distribution and high-temperature crystal chemistry of armalcolite
 sample Arm-E, T = 24 deg C, after heating

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formula_title: <missing>
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pub_title:
 Cation distribution and high-temperature crystal chemistry of armalcolite
 sample Arm-C, T = 400 deg C

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gamma: 87.7
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atoms_aniso_label: ["Na", "Al1o", "Si1m", "Si2o", "Si2m", "Oa1", "Oa2", "Obo", "Obm", "Oco", "Ocm", "Odo", "Odm"]
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pub_title:
 A high-temperature study of the thermal expansion and the anisotropy of the
 sodium atom in low albite
 T = 500 deg C
 Note: this sample of feldspar is from Tiburon, Marin County, California, USA

qdat:
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formula: Na Al Si3 O8
compound: <missing>
formula_title: <missing>
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b: 12.841
c: 7.176
alpha: 93.7
beta: 116.3
gamma: 87.6
cell_volume: 679.366
crystal_density: 2.564
atoms_sites: ["Na", "Al1o", "Si1m", "Si2o", "Si2m", "Oa1", "Oa2", "Obo", "Obm", "Oco", "Ocm", "Odo", "Odm"]
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pub_title:
 A high-temperature study of the thermal expansion and the anisotropy of the
 sodium atom in low albite
 T = 750 deg C
 Note: this sample of feldspar is from Tiburon, Marin County, California, USA

qdat:
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formula: Na Al Si3 O8
compound: <missing>
formula_title: <missing>
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b: 12.860
c: 7.181
alpha: 93.3
beta: 116.2
gamma: 87.6
cell_volume: 684.577
crystal_density: 2.544
atoms_sites: ["Na", "Al1o", "Si1m", "Si2o", "Si2m", "Oa1", "Oa2", "Obo", "Obm", "Oco", "Ocm", "Odo", "Odm"]
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pub_title:
 A high-temperature study of the thermal expansion and the anisotropy of the
 sodium atom in low albite
 T = 970 deg C
 Note: this sample of feldspar is from Tiburon, Marin County, California, USA

qdat:
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formula: Mg Na2 B12 O28 H16
compound: <missing>
pub_title: Aristarainite: Na2Mg[B6O8(OH)4]2.4H2O: a sheet structure with chains of hexaborate polyanions
formula_title: <missing>
a: 18.886
b: 7.521
c: 7.815
alpha: 90
beta: 97.72
gamma: 90
cell_volume: 1099.994
crystal_density: 2.005
atoms_sites:
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atoms_aniso_label:
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formula: Fe9 Si6 O25 H5
compound: <missing>
formula_title: <missing>
a: 10.786
b: 18.880
c: 9.564
alpha: 90
beta: 107.45
gamma: 90
cell_volume: 1857.979
crystal_density: 3.847
atoms_occupancy: 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 crystal structure of deerite
 Note: sample is from a riebeckite-deerite-garnet schist
 near Panoche, San Benito County, California, USA

atoms_sites:
["Fe1", "Fe2", "Fe3", "Fe4", "Fe5", "Fe6", "Fe7", "Fe8", "Fe9", "Si1", "Si2", "Si3", "Si4", "Si5", "Si6", "O1", "O-H2", "O3", "O4", "O-H5", "O6", "O7", "O8", "O9", "O10", "O-H11", "O12", "O13", "O14", "O-H15", "O16", "O-H17", "O18", "O19", "O20", "O21", "O22", "O23", "O24", "O25"]

atoms_x:

atoms_y:

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formula: Cu5 P2 O12 H4
compound: <missing>
pub_title: Refinement of the crystal structure of pseudomalachite
formula_title: <missing>
a: 4.4728
b: 5.7469
c: 17.032
alpha: 90
beta: 91.043
gamma: 90
cell_volume: 437.730
crystal_density: 4.368
atoms_sites: ["Cu1", "Cu2", "Cu3", "P", "O1", "O2", "O3", "O4", "O-H5", "O-H6"]
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atoms_occupancy: 0
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atoms_aniso_label: ["Cu1", "Cu2", "Cu3", "P", "O1", "O2", "O3", "O4", "O-H5", "O-H6"]
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qdat:
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formula: K.51 Ca2.89 (Si3.15 Al1.85) S.95 O15
compound: <missing>
formula_title: <missing>
a: 24.03
b: 5.11
c: 10.88
alpha: 90
beta: 106.94
gamma: 90
cell_volume: 1278.023
crystal_density: 2.830
atoms_u_iso: 0
pub_title:
 The crystal structure of tuscanite
 Note Sample from the pumice deposit in Pitigliano, Tuscany, Italy

atoms_sites:
["K1", "Ca1", "Ca2", "Ca3", "Si1", "Al1", "Si2", "Al2", "Si3", "Al3", "Si4", "Al4", "Si5", "Al5", "S", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15"]

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formula: Zn3 As2 O6
compound: <missing>
pub_title: Reinerite, Zn3(AsO3)2: an arsenite with a novel type of Zn-tetrahedral double chain
formula_title: <missing>
a: 6.092
b: 14.407
c: 7.811
alpha: 90
beta: 90
gamma: 90
cell_volume: 685.551
crystal_density: 4.283
atoms_sites: ["Zn1", "Zn2", "As1", "As2", "O1", "O2", "O3", "O4"]
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atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: ["Zn1", "Zn2", "As1", "As2", "O1", "O2", "O3", "O4"]
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qdat:
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formula: Mg B4 O16 H18
compound: <missing>
pub_title: Hungchaoite, Mg(H2O)5B4O5(OH)4.2H2O: a hydrogen-bonded molecular complex
formula_title: <missing>
a: 8.807
b: 10.657
c: 7.897
alpha: 103.39
beta: 108.53
gamma: 97.18
cell_volume: 667.622
crystal_density: 1.700
atoms_occupancy: 0
atoms_sites:
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atoms_x:

atoms_y:

atoms_z:

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formula: K.9 Na.05 Al1.908 Fe.93 Ti.01 Mn.05 Li.67 Mg.01 Si3.092 O10 F2
compound: <missing>
formula_title: <missing>
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b: 9.140
c: 10.096
alpha: 90
beta: 100.83
gamma: 90
cell_volume: 479.997
crystal_density: 2.994
atoms_u_iso: 0
pub_title:
 The refinement of zinnwaldite-1M in subgroup symmetry
 Note: the sample is from the Sadisdorf Mine dump, East Germany

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compound: <missing>
pub_title: Crystal structure refinement of a weakly anisotropic pyrite cubic model
formula_title: <missing>
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b: 5.4166
c: 5.4166
alpha: 90
beta: 90
gamma: 90
cell_volume: 158.921
crystal_density: 5.015
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formula: Fe S2
compound: <missing>
pub_title: Crystal structure refinement of a weakly anisotropic pyrite
formula_title: <missing>
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b: 5.4166
c: 5.4166
alpha: 90
beta: 90
gamma: 90
cell_volume: 158.921
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formula: (Ca.822 Fe.178) Si O3
compound: Ofuku mine, Yamaguchi Prefecture, Japan
pub_title: Structural variation in the ferrobustamite solid solution Note: Wo82Fs18
formula_title: <missing>
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b: 7.253
c: 13.967
alpha: 89.44
beta: 95.28
gamma: 103.29
cell_volume: 771.770
crystal_density: 3.072
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