# cif

formula: Mg Si O3
compound: Synthetic
pub_title: Reinvestigation of the MgSiO3 perovskite structure at high pressure Sample: P = 7.8 GPa
formula_title: <missing>
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b: 4.880
c: 6.825
alpha: 90
beta: 90
gamma: 90
cell_volume: 157.271
crystal_density: 4.240
atoms_sites: ["Mg", "Si", "O1", "O2"]
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formula: Mg Si O3
compound: Synthetic
pub_title: Reinvestigation of the MgSiO3 perovskite structure at high pressure Sample: P = 10.0 GPa
formula_title: <missing>
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b: 4.8741
c: 6.8051
alpha: 90
beta: 90
gamma: 90
cell_volume: 156.384
crystal_density: 4.264
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formula: Mg Si O3
compound: Synthetic
pub_title: Reinvestigation of the MgSiO3 perovskite structure at high pressure Sample: P = 15.0 GPa
formula_title: <missing>
a: 4.701
b: 4.870
c: 6.782
alpha: 90
beta: 90
gamma: 90
cell_volume: 155.266
crystal_density: 4.295
atoms_sites: ["Mg", "Si", "O1", "O2"]
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formula: Na1.71 (Si4.194 Al1.806) O14 H4
compound: Su Marralzu, Sardinia, Italy
formula_title: <missing>
a: 13.7065
b: 13.7065
c: 13.7065
alpha: 90
beta: 90
gamma: 90
cell_volume: 2575.015
crystal_density: 2.238
atoms_sites: ["Na", "Si", "Al", "O", "Wat"]
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pub_title:
 Elastic behavior, phase transition, and pressure induced
 structural evolution of analcime
 Sample: P = .0001 GPa in air

qdat:
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formula: Na1.71 (Si4.194 Al1.806) O14 H4
compound: Su Marralzu, Sardinia, Italy
formula_title: <missing>
a: 13.6999
b: 13.6999
c: 13.6999
alpha: 90
beta: 90
gamma: 90
cell_volume: 2571.297
crystal_density: 2.241
atoms_sites: ["Na", "Si", "Al", "O", "Wat"]
atoms_x: IKEHAOBe+P/gXvj/QP74/yChBwA=
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pub_title:
 Elastic behavior, phase transition, and pressure induced
 structural evolution of analcime
 Sample: P = .0001 GPa in DAC

qdat:
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formula: Na1.71 (Si4.194 Al1.806) O14 H4
compound: Su Marralzu, Sardinia, Italy
formula_title: <missing>
a: 13.6288
b: 13.6288
c: 13.6288
alpha: 90
beta: 90
gamma: 90
cell_volume: 2531.471
crystal_density: 2.277
atoms_sites: ["Na", "Si", "Al", "O", "Wat"]
atoms_x: IKEHAOBe+P/gXvj/sPz4/yChBwA=
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pub_title:
 Elastic behavior, phase transition, and pressure induced
 structural evolution of analcime
 Sample: P = .91 GPa

qdat:
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formula: Na1.71 (Si4.194 Al1.806) O14 H4
compound: Su Marralzu, Sardinia, Italy
formula_title: <missing>
a: 13.5574
b: 13.5119
c: 13.5082
alpha: 89.600
beta: 89.162
gamma: 90.798
cell_volume: 2473.948
crystal_density: 2.330
atoms_aniso_label: "<missing>"
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pub_title:
 Elastic behavior, phase transition, and pressure induced
 structural evolution of analcime
 Sample: P = 1.23 GPa

atoms_sites:
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formula: Na1.71 (Si4.194 Al1.806) O14 H4
compound: Su Marralzu, Sardinia, Italy
formula_title: <missing>
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b: 13.3657
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pub_title:
 Elastic behavior, phase transition, and pressure induced
 structural evolution of analcime
 Sample: P = 2.12 GPa

atoms_sites:
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formula: Na1.71 (Si4.194 Al1.806) O14 H4
compound: Su Marralzu, Sardinia, Italy
formula_title: <missing>
a: 13.1605
b: 13.0149
c: 13.0335
alpha: 90.178
beta: 86.849
gamma: 88.601
cell_volume: 2228.350
crystal_density: 2.586
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pub_title:
 Elastic behavior, phase transition, and pressure induced
 structural evolution of analcime
 Sample: P = 5.04 GPa

atoms_sites:
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formula: (Ca1.92 Na.08) V2.04 Fe.26 Mg.2 Mn.15 Al.43 Cu.01 Ti.02 Si2.91 O14 H4
compound: Gambatesa mine, val Graveglia, Genova, Northern Italy
pub_title: Poppiite, the V3+ end-member of the pumpellyite group: Description and crystal structure
formula_title: <missing>
a: 19.2889
b: 6.0444
c: 8.8783
alpha: 90
beta: 97.328
gamma: 90
cell_volume: 1026.665
crystal_density: 3.450
atoms_sites:
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formula: Ca.78 Na.1 K.01 Si7.92 Al1.98 O25.24 H14.48
compound: Seremida, Sardinia, Italy
formula_title: <missing>
a: 13.5947
b: 18.1823
c: 17.8335
alpha: 90
beta: 90
gamma: 90
cell_volume: 4408.136
crystal_density: 2.195
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:
 Influence of dehydration kinetics on T-O-T bridge breaking
 in zeolites with framework type STI: The case of stellerite
 Sample: T = 302 K
 Note: occupancies invented to match formula

atoms_sites:
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formula: Ca1.46 Na.19 Si15.84 Al3.96 O37.97 H3.94
compound: Seremida, Sardinia, Italy
formula_title: <missing>
a: 13.6629
b: 17.6064
c: 17.3629
alpha: 90
beta: 90
gamma: 90
cell_volume: 4176.723
crystal_density: 1.950
atoms_aniso_label: "<missing>"
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pub_title:
 Influence of dehydration kinetics on T-O-T bridge breaking
 in zeolites with framework type STI: The case of stellerite
 Sample: T = 503 K
 Note: occupancies invented to match formula

atoms_sites:
["Ca1", "Na1", "Ca4", "Na4", "Ca5", "Na5", "Ca6", "Na6", "SiT1", "AlT1", "SiT1P", "AlT1P", "SiT3", "AlT3", "SiT4", "AlT4", "SiT5", "AlT5", "O1", "O1P", "O3", "O3P", "O4", "O4P", "O7", "O7P", "O8", "O9", "O10", "Wat1", "Wat2", "Wat3", "Wat4"]

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pub_title:
 Influence of dehydration kinetics on T-O-T bridge breaking
 in zeolites with framework type STI: The case of stellerite
 Sample: T = 740 K
 Note: occupancies invented to match formula

atoms_sites:
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formula_title: Na.58Ag.18Mg2.12Al6.98B3Si5.90O27.53OH3F.47
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pub_title:
 Synthetic Ag-rich tourmaline: Structure and chemistry
 Note: Y(B) adjusted to satisfy symmetry constraint

atoms_sites:
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compound: Narssarssk, Julianehaab district, Greenland
formula_title: <missing>
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alpha: 90
beta: 90
gamma: 90
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pub_title:
 Single-crystal diffraction and transmission electron microscopy studies
 of "silicified" pyrochlore from Narssarssk, Julianehaab district, Greenland
 Sample: 396a

atoms_sites:
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compound: Narssarssk, Julianehaab district, Greenland
formula_title: <missing>
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pub_title:
 Single-crystal diffraction and transmission electron microscopy studies
 of "silicified" pyrochlore from Narssarssk, Julianehaab district, Greenland
 Sample: 170a

atoms_sites:
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pub_title:
 Compressibility of synthetic potassium-rich clinopyroxene:
 In situ high-pressure single-crystal X-ray study
 Sample: 939-1, in air

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pub_title:
 Compressibility of synthetic potassium-rich clinopyroxene:
 In situ high-pressure single-crystal X-ray study
 Sample: 939-1, in diamond cell, P = 0 GPa

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pub_title:
 Compressibility of synthetic potassium-rich clinopyroxene:
 In situ high-pressure single-crystal X-ray study
 Sample: 939-1, P = .46 GPa

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pub_title:
 Compressibility of synthetic potassium-rich clinopyroxene:
 In situ high-pressure single-crystal X-ray study
 Sample: 939-1, P = 2.45 GPa

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compound: <missing>
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pub_title:
 Compressibility of synthetic potassium-rich clinopyroxene:
 In situ high-pressure single-crystal X-ray study
 Sample: 939-1, P = 5.36 GPa

qdat:
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formula: (Ca.88 K.12) Mg.83 Al.19 Si1.98 O6
compound: <missing>
formula_title: <missing>
a: 9.5089
b: 8.6937
c: 5.1545
alpha: 90
beta: 105.344
gamma: 90
cell_volume: 410.921
crystal_density: 3.505
atoms_sites: ["Ca2", "K2", "Mg1", "Al1", "Si", "Al", "O1", "O2", "O3"]
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pub_title:
 Compressibility of synthetic potassium-rich clinopyroxene:
 In situ high-pressure single-crystal X-ray study
 Sample: 939-1, P = 8.11 GPa

qdat:
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formula: (Ca.88 K.12) Mg.83 Al.19 Si1.98 O6
compound: <missing>
formula_title: <missing>
a: 9.4762
b: 8.6541
c: 5.1356
alpha: 90
beta: 105.269
gamma: 90
cell_volume: 406.293
crystal_density: 3.545
atoms_sites: ["Ca2", "K2", "Mg1", "Al1", "Si", "Al", "O1", "O2", "O3"]
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pub_title:
 Compressibility of synthetic potassium-rich clinopyroxene:
 In situ high-pressure single-crystal X-ray study
 Sample: 939-1, P = 9.72 GPa

qdat:
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formula: Mg1.93 Ca.07 Si2 O6
compound: synthetic sample
formula_title: <missing>
a: 18.2588
b: 8.8229
c: 5.1899
alpha: 90
beta: 90
gamma: 90
cell_volume: 836.070
crystal_density: 3.208
atoms_sites: ["MgM2", "CaM2", "MgM1", "SiA", "SiB", "O1A", "O2A", "O3A", "O1B", "O2B", "O3B"]
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pub_title:
 The effect of Ca substitution on the elastic and
 structural behavior of orthoenstatite
 Sample: P = 0.0001 GPa

qdat:
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formula: Mg1.93 Ca.07 Si2 O6
compound: synthetic sample
formula_title: <missing>
a: 18.201
b: 8.768
c: 5.154
alpha: 90
beta: 90
gamma: 90
cell_volume: 822.508
crystal_density: 3.261
atoms_sites: ["MgM2", "CaM2", "MgM1", "SiA", "SiB", "O1A", "O2A", "O3A", "O1B", "O2B", "O3B"]
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pub_title:
 The effect of Ca substitution on the elastic and
 structural behavior of orthoenstatite
 Sample: P = 1.76 GPa

qdat:
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formula: Mg1.93 Ca.07 Si2 O6
compound: synthetic sample
formula_title: <missing>
a: 18.093
b: 8.750
c: 5.127
alpha: 90
beta: 90
gamma: 90
cell_volume: 811.675
crystal_density: 3.304
atoms_sites: ["MgM2", "CaM2", "MgM1", "SiA", "SiB", "O1A", "O2A", "O3A", "O1B", "O2B", "O3B"]
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pub_title:
 The effect of Ca substitution on the elastic and
 structural behavior of orthoenstatite
 Sample: P = 3.36 GPa

qdat:
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formula: Mg1.93 Ca.07 Si2 O6
compound: synthetic sample
formula_title: <missing>
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b: 8.7215
c: 5.120
alpha: 90
beta: 90
gamma: 90
cell_volume: 808.596
crystal_density: 3.317
atoms_sites: ["MgM2", "CaM2", "MgM1", "SiA", "SiB", "O1A", "O2A", "O3A", "O1B", "O2B", "O3B"]
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pub_title:
 The effect of Ca substitution on the elastic and
 structural behavior of orthoenstatite
 Sample: P = 3.94 GPa

qdat:
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formula: Mg1.93 Ca.07 Si2 O6
compound: synthetic sample
formula_title: <missing>
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b: 8.6578
c: 5.085
alpha: 90
beta: 90
gamma: 90
cell_volume: 793.417
crystal_density: 3.380
atoms_sites: ["MgM2", "CaM2", "MgM1", "SiA", "SiB", "O1A", "O2A", "O3A", "O1B", "O2B", "O3B"]
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pub_title:
 The effect of Ca substitution on the elastic and
 structural behavior of orthoenstatite
 Sample: P = 6.25 GPa

qdat:
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formula: Fe S
compound: <missing>
pub_title: Inversion twinning in troilite Sample: Etter
formula_title: <missing>
a: 5.9650
b: 5.9650
c: 11.7570
alpha: 90
beta: 90
gamma: 120
cell_volume: 362.283
crystal_density: 4.835
atoms_sites: ["Fe1", "S1", "S2", "S3"]
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formula: Fe S
compound: <missing>
pub_title: Inversion twinning in troilite Sample: Georgetown
formula_title: <missing>
a: 5.9650
b: 5.9650
c: 11.7590
alpha: 90
beta: 90
gamma: 120
cell_volume: 362.345
crystal_density: 4.835
atoms_sites: ["Fe1", "S1", "S2", "S3"]
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formula: Fe S
compound: <missing>
pub_title: Inversion twinning in troilite Sample: Synthetic
formula_title: <missing>
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b: 5.9660
c: 11.7650
alpha: 90
beta: 90
gamma: 120
cell_volume: 362.651
crystal_density: 4.831
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qdat:
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formula: Ca.775 Sr.05 Mn.1 K.05 Ba.025 Ti1.03 Nb.22 Si3 O12.73 H6.34
compound: Chivruai River valley, Kola peninsula, Russia
formula_title: <missing>
a: 7.1918
b: 23.166
c: 6.9472
alpha: 90
beta: 90
gamma: 90
cell_volume: 1157.440
crystal_density: 2.355
atoms_aniso_u11: 0AEBANABAQBgZwEAYGcBAABeAQAAXgEAMAsBAFAOAQCA7QAAAHcBAIAmBADA2gAAwNoAAHAqAQDgFgQAQH4FACDLAAA=
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pub_title:
 Chivruaiite, Ca4(Ti,Nb)5[(Si6O17)2|(OH,O)5]*13-14H2O, a new mineral
 from hydrothermal veins of Khibiny and Lovozero alkaline massifs

atoms_sites:
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atoms_u_iso:
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atoms_aniso_label:
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qdat:
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formula: Na.8 Mn8.57 Mg.63 V Si9 O32 H4
compound: <missing>
formula_title: <missing>
a: 9.831
b: 10.107
c: 13.855
alpha: 86.222
beta: 73.383
gamma: 71.987
cell_volume: 1254.126
crystal_density: 3.507
atoms_aniso_label: ["Mn1", "Mn2", "Mn3", "Mn4", "Mg4", "Mn5", "Mn6", "Mn7", "Mg7", "Mn8", "Mg8", "Mn9"]
atoms_aniso_u11: 0GsAAOCSAADw6wAAgKIAAICiAACAogAAQIMAAIC7AACAuwAA4KsAAOCrAABQ3AAA
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atoms_aniso_u23: YPD//8Cu//8wxv//cOX//3Dl///QBwAA8PH//wDn//8A5///cOX//3Dl///Ax///
pub_title:
 Scheuchzerite, Na(Mn,Mg)9[VSi9O28(OH)](OH)3, a new single-chain silicate
 Sample: Fianel, Val Ferrera, Central Alps, Switzerland

atoms_sites:
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pub_title:
 Ba(NpO2)(PO4)(H2O), its relationship to the uranophane group, and implications
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pub_title:
 Cancrinite: Crystal structure, phase transitions, and
 dehydration behaviour with temperature
 Sample: SC20

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pub_title:
 Cancrinite: Crystal structure, phase transitions, and
 dehydration behaviour with temperature
 Sample: T = 25 C

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pub_title:
 Cancrinite: Crystal structure, phase transitions, and
 dehydration behaviour with temperature
 Sample: T = 101 C

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pub_title:
 Cancrinite: Crystal structure, phase transitions, and
 dehydration behaviour with temperature
 Sample: T = 207 C

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pub_title:
 Cancrinite: Crystal structure, phase transitions, and
 dehydration behaviour with temperature
 Sample: T = 298 C

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pub_title:
 Cancrinite: Crystal structure, phase transitions, and
 dehydration behaviour with temperature
 Sample: T = 405 C

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pub_title:
 Cancrinite: Crystal structure, phase transitions, and
 dehydration behaviour with temperature
 Sample: T = 496 C

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pub_title:
 Cancrinite: Crystal structure, phase transitions, and
 dehydration behaviour with temperature
 Sample: T = 511 C

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pub_title:
 Cancrinite: Crystal structure, phase transitions, and
 dehydration behaviour with temperature
 Sample: T = 557 C

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pub_title:
 Cancrinite: Crystal structure, phase transitions, and
 dehydration behaviour with temperature
 Sample: T = 602 C

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atoms_sites: ["Na1", "Na2", "Ca2", "Al", "Si", "C1", "C2", "O1", "O2", "O3", "O4", "OC1", "OC2"]
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pub_title:
 Cancrinite: Crystal structure, phase transitions, and
 dehydration behaviour with temperature
 Sample: T = 648 C

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pub_title:
 Cancrinite: Crystal structure, phase transitions, and
 dehydration behaviour with temperature
 Sample: T = 693 C

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pub_title:
 Cancrinite: Crystal structure, phase transitions, and
 dehydration behaviour with temperature
 Sample: T = 800 C

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formula_title: <missing>
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pub_title:
 Cancrinite: Crystal structure, phase transitions, and
 dehydration behaviour with temperature
 Sample: T = 891 C

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pub_title:
 Cancrinite: Crystal structure, phase transitions, and
 dehydration behaviour with temperature
 Sample: T = 952 C

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formula: Ca8.6 Ce1.1 Th.3 (Al.49 Fe.35 Ti.16) Be.54 Li.3 Si6 B8 O37.76 (F.24 H1.76)
compound: Vetralla, Italy
formula_title: <missing>
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pub_title:
 The crystal structure of piergorite-(Ce),
 Ca8Ce2(Al0.5Fe3+0.5)Sum1(X,Li,Be)2Si6B8O36(OH,F)2:
 A new borosilicate from Vetralla, Italy,
 with a modified hellandite-type chain

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formula: Mg2.85 Sc.3 Al2 Si2.85 O12
compound: Synthetic
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pub_title:
 Site preference and local geometry of Sc in garnets: Part I.
 Multifarious mechanisms in the pyrope-grossular join
 Sample: prp

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pub_title:
 Site preference and local geometry of Sc in garnets: Part I.
 Multifarious mechanisms in the pyrope-grossular join
 Sample: prp

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compound: <missing>
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pub_title:
 Site preference and local geometry of Sc in garnets: Part II.
 The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join
 Sample: adr100

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pub_title:
 Site preference and local geometry of Sc in garnets: Part II.
 The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join
 Sample: adr90CaSc10

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pub_title:
 Site preference and local geometry of Sc in garnets: Part II.
 The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join
 Sample: adr80CaSc20

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compound: Synthetic
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pub_title:
 Site preference and local geometry of Sc in garnets: Part II.
 The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join
 Sample: adr70CaSc30

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pub_title:
 Site preference and local geometry of Sc in garnets: Part II.
 The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join
 Sample: adr50CaSc50

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compound: Synthetic
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pub_title:
 Site preference and local geometry of Sc in garnets: Part II.
 The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join
 Sample: adr30CaSc70

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formula: Ca3 (Sc1.74 Fe.26) Si3 O12
compound: Synthetic
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pub_title:
 Site preference and local geometry of Sc in garnets: Part II.
 The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join
 Sample: adr10CaSc90

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formula: Ca3 Sc2 Si3 O12
compound: Synthetic
formula_title: <missing>
a: 12.2500
b: 12.2500
c: 12.2500
alpha: 90
beta: 90
gamma: 90
cell_volume: 1838.266
crystal_density: 3.515
atoms_sites: ["CaX", "ScY", "SiZ", "O"]
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pub_title:
 Site preference and local geometry of Sc in garnets: Part II.
 The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join
 Sample: CaSc100

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compound: <missing>
formula_title: <missing>
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alpha: 90
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gamma: 90
cell_volume: 3932.195
crystal_density: 3.418
pub_title:
 The arrojadite enigma: I. A new formula and
 a new model for the arrojadite structure
 Sample: Rapid Creek, Yukon, Canada

atoms_sites:
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formula: Na2.94 K.03 Ca.59 Ba.2 Pb.03 Sr.93 Fe6.61 Mn3.39 Mg3.6 Al P12 O49.1 F.9 H2.1
compound: <missing>
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pub_title:
 The arrojadite enigma: I. A new formula and
 a new model for the arrojadite structure
 Sample: Horrsjoberg, Varmland, Sweden

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formula: K.5 Na4.92 Ca.51 Sr.05 Pb.01 Ba.01 Mn9.7 Fe3.8 Li.3 Al P12 O50 F.03 H1.97
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a: 16.6900
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cell_volume: 4038.927
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pub_title:
 The arrojadite enigma: I. A new formula and
 a new model for the arrojadite structure
 Sample: Branchville, Connecticut, USA

atoms_sites:
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formula: Ca Fe Si2 O6
compound: Synthetic
formula_title: <missing>
a: 9.8450
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c: 5.2450
alpha: 90
beta: 104.775
gamma: 90
cell_volume: 450.830
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atoms_sites: ["Ca2", "Fe1", "Si", "O1", "O2", "O3"]
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pub_title:
 Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
 spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution
 Sample: Hd21, T = 298 K

qdat:
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pub_title:
 Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
 spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution
 Sample: Hd21, T = 200 K

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compound: Synthetic
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pub_title:
 Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
 spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution
 Sample: Hd21, T = 100K

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compound: Synthetic
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pub_title:
 Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
 spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution
 Sample: Ae051, T = 298 K

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pub_title:
 Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
 spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution
 Sample: Hd102m, T = 298 K

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pub_title:
 Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
 spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution
 Sample: Ae151, T = 298 K

qdat:
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pub_title:
 Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
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pub_title:
 Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
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pub_title:
 Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
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pub_title:
 Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
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pub_title:
 Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
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pub_title:
 Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
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pub_title:
 Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
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pub_title:
 Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
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pub_title:
 Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
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pub_title:
 Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
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pub_title:
 Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
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pub_title:
 Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
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pub_title:
 Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
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pub_title:
 Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
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pub_title:
 Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
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 Sample: Ae951, T = 298 K

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pub_title:
 Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
 spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution
 Sample: nahp22, T = 298 K

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pub_title:
 Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
 spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution
 Sample: Nahp22a, T = 298 K

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pub_title:
 Light-induced changes in molecular arsenic sulfides: State of the art and
 new evidence by single-crystal X-ray diffraction
 Sample: B2-0

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pub_title:
 Light-induced changes in molecular arsenic sulfides: State of the art and
 new evidence by single-crystal X-ray diffraction
 Sample: B2-600, light exposure for t = 600 minutes
 Note: bonazziite - alacranite series

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pub_title:
 Light-induced changes in molecular arsenic sulfides: State of the art and
 new evidence by single-crystal X-ray diffraction
 Sample: B2-840, light exposure for t = 840 minutes
 Note: bonazziite - alacranite series

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pub_title:
 Light-induced changes in molecular arsenic sulfides: State of the art and
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 Sample: ALA16-0
 Note: bonazziite - alacranite series

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pub_title:
 Light-induced changes in molecular arsenic sulfides: State of the art and
 new evidence by single-crystal X-ray diffraction
 Sample: ALA16-1800, light exposure for t = 1800 minutes
 Note: bonazziite - alacranite series

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pub_title:
 Light-induced changes in molecular arsenic sulfides: State of the art and
 new evidence by single-crystal X-ray diffraction
 Sample: ALA15-600, light exposure for t = 600 minutes
 Note: bonazziite - alacranite series

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pub_title:
 Crystal chemistry and polytypism of tyrolite
 Sample: Brixlegg, Schwaz, Tyrol, Austria
 Note: Tyrolite-1M polytype

atoms_sites:
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compound: <missing>
formula_title: <missing>
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alpha: 90
beta: 96.432
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atoms_aniso_label: ["Ca", "Cu1", "Cu2", "Cu3", "Cu4", "Cu5", "As1", "As2"]
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pub_title:
 Crystal chemistry and polytypism of tyrolite
 Sample: Brixlegg, Schwaz, Tyrol, Austria
 Note: Tyrolite-2M polytype

atoms_sites:
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pub_title:
 Rietveld structure refinement of perovskite and post-perovskite phases of
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pub_title:
 Rietveld structure refinement of perovskite and post-perovskite phases of
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pub_title:
 Rietveld structure refinement of perovskite and post-perovskite phases of
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pub_title:
 Rietveld structure refinement of perovskite and post-perovskite phases of
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pub_title:
 New insight into crystal chemistry of topaz: a multi-methodological study
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pub_title:
 New insight into crystal chemistry of topaz: a multi-methodological study
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 New insight into crystal chemistry of topaz: a multi-methodological study
 Sample: Neutron refinement at T = 10 K

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pub_title:
 Tetrahedrally-coordinated boron in tourmalines from the liddicoatite-elbaite
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pub_title:
 Tetrahedrally-coordinated boron in tourmalines from the liddicoatite-elbaite
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pub_title:
 Tetrahedrally-coordinated boron in tourmalines from the liddicoatite-elbaite
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pub_title:
 Tetrahedrally-coordinated boron in tourmalines from the liddicoatite-elbaite
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compound: Alpe Reguzzolo, Val Malenco, Italy
pub_title: Structural effects of pressure on chlorite: A single-crystal study Sample: P = .0001 GPa
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pub_title: Structural effects of pressure on chlorite: A single-crystal study Sample: P = 1.83 GPa
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pub_title: Structural effects of pressure on chlorite: A single-crystal study Sample: P = 4.25 GPa
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formula: (Mg4.5 Fe.5) Al5 Si4 O18 H8
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pub_title: Structural effects of pressure on chlorite: A single-crystal study Sample: P = 4.85 GPa
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formula: Ca1.838 Pb3.162 (P2.721 As.279) O12 Cl
compound: Capitana mine, Copiapo, Atacama Province, Chile
formula_title: <missing>
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pub_title:
 Phosphohedyphane, Ca2Pb3(PO4)3Cl, the phosphate analogue of hedyphane:
 Description and crystal structure

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formula: Pb3 Mo O5 Cl2
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formula_title: Pb3MoO5Cl2
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pub_title:
 Synthesis of novel lead - molybdenum and tungsten oxyhalides with the pinalite
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formula: Ca5 (Si1.26 S1.08 P.66) O12.82 F.09 Cl.07 H.82
compound: Cioclovina Cave, Sureanu Mountains, Romania
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pub_title:
 Hydroxylellestadite from Cioclovina Cave (Romania): Microanalytical,
 structural, and vibrational spectroscopy data

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pub_title:
 Matioliite, the Mg-analogue of burangaite, from Gentil mine, Mendes Pimentel,
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 Sample: T = 120 K

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compound: <missing>
formula_title: <missing>
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b: 8.0883
c: 8.0883
alpha: 90
beta: 90
gamma: 90
cell_volume: 529.141
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atoms_sites: ["MgT", "AlT", "Mn2+T", "Mn3+T", "AlM", "MgM", "Mn2+M", "Mn3+M", "O"]
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pub_title:
 Structural refinement and crystal chemistry of Mn-doped spinel: A case for
 tetrahedrally coordinated Mn3+ in an oxygen-based structure
 Sample: MgMn01

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beta: 90
gamma: 90
cell_volume: 530.753
crystal_density: 3.608
atoms_sites: ["MgT", "AlT", "Mn2+T", "Mn3+T", "AlM", "MgM", "Mn2+M", "Mn3+M", "O"]
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pub_title:
 Structural refinement and crystal chemistry of Mn-doped spinel: A case for
 tetrahedrally coordinated Mn3+ in an oxygen-based structure
 Sample: MgMn05

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formula: Mg.887 Al1.808 Mn.304 O4
compound: <missing>
formula_title: <missing>
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beta: 90
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pub_title:
 Structural refinement and crystal chemistry of Mn-doped spinel: A case for
 tetrahedrally coordinated Mn3+ in an oxygen-based structure
 Sample: MgMn10


formula: Mg.899 Al1.75 Mn.351 O4
compound: <missing>
formula_title: <missing>
a: 8.1413
b: 8.1413
c: 8.1413
alpha: 90
beta: 90
gamma: 90
cell_volume: 539.612
crystal_density: 3.751
atoms_sites: ["MgT", "AlT", "Mn2+T", "Mn3+T", "AlM", "MgM", "Mn2+M", "Mn3+M", "O"]
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pub_title:
 Structural refinement and crystal chemistry of Mn-doped spinel: A case for
 tetrahedrally coordinated Mn3+ in an oxygen-based structure
 Sample: MgMn20

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formula: Si O2
compound: Yangkou meta-igneous complex in the middle part of the Sulu UHP terrain, eastern China
formula_title: <missing>
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b: 12.371
c: 7.175
alpha: 90
beta: 120.34
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cell_volume: 546.962
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pub_title:
 First in situ X-ray diffraction identification of coesite and retrograde quartz on a glass
 thin section of an ultrahigh-pressure metamorphic rock and their crystal structure details
 Note: Sample is on a thin section

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formula: Si O2
compound: Yangkou meta-igneous complex in the middle part of the Sulu UHP terrain, eastern China
formula_title: <missing>
a: 4.923
b: 4.923
c: 5.409
alpha: 90
beta: 90
gamma: 120
cell_volume: 113.529
crystal_density: 2.636
atoms_sites: ["Si", "O"]
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pub_title:
 First in situ X-ray diffraction identification of coesite and retrograde quartz on a glass
 thin section of an ultrahigh-pressure metamorphic rock and their crystal structure details
 Note: Sample is on a thin section

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formula: Si O2
compound: Oomine granite, Tenkawa-mura, Nara, Southwest Japan
formula_title: <missing>
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alpha: 90
beta: 90
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pub_title:
 First in situ X-ray diffraction identification of coesite and retrograde quartz on a glass
 thin section of an ultrahigh-pressure metamorphic rock and their crystal structure details
 Sample: in air

qdat:
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formula: Si O2
compound: Oomine granite, Tenkawa-mura, Nara, Southwest Japan
formula_title: <missing>
a: 4.917
b: 4.917
c: 5.410
alpha: 90
beta: 90
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pub_title:
 First in situ X-ray diffraction identification of coesite and retrograde quartz on a glass
 thin section of an ultrahigh-pressure metamorphic rock and their crystal structure details
 Sample: in a thin section

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formula: Ca3.78 Mg7.87 Sb3 Mn1.35 Si5.73 Be3.33 Al1.71 Fe.96 As.27 O40
compound: <missing>
formula_title: <missing>
a: 10.394
b: 10.777
c: 8.896
alpha: 105.953
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gamma: 124.948
cell_volume: 738.874
crystal_density: 3.895
pub_title:
 The crystal chemistry of welshite, a non-centrosymmetric (P1) aenigmatite-
 sapphirine-surinamite group mineral

atoms_sites:
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formula: Mg4 Si6 O22.91 H13.82
compound: Durango, Mexico
formula_title: <missing>
a: 13.405
b: 27.016
c: 5.2750
alpha: 90
beta: 90
gamma: 90
cell_volume: 1910.339
crystal_density: 2.247
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pub_title:
 Synchrotron powder X-ray diffraction study of the structure and dehydration
 behavior of sepiolite
 Sample: T = room temperature, in air

atoms_sites:
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formula: Mg2 Si3 O9 H2
compound: Durango, Mexico
formula_title: <missing>
a: 23.446
b: 11.352
c: 5.2782
alpha: 90
beta: 89.06
gamma: 90
cell_volume: 1404.651
crystal_density: 2.637
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pub_title:
 Synchrotron powder X-ray diffraction study of the structure and dehydration
 behavior of sepiolite
 Sample: T = 742 K

atoms_sites:
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formula: As2 Fe3 O12.6 S.65 H6
compound: Tooele County, Utah
formula_title: <missing>
a: 8.9575
b: 6.4238
c: 9.7912
alpha: 90
beta: 96.032
gamma: 90
cell_volume: 560.278
crystal_density: 3.236
atoms_sites: ["As", "Fe1", "Fe2", "O1", "O-H2", "Wat3", "O4", "S", "O5", "O6"]
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atoms_aniso_u33: 0
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal structure of tooeleite, Fe6(AsO3)4SO4(OH)4 * 4H2O, a new iron arsenite
 oxyhydroxysulfate mineral relevant of acid mine drainage

qdat:
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formula: Cu2 Al Sb O12 H12
compound: Apuan Alps, Tuscany, Italy
pub_title: Zincalstibite, a new mineral, and cualstibite: Crystal chemical and structural relationships
formula_title: <missing>
a: 9.150
b: 9.150
c: 9.745
alpha: 90
beta: 90
gamma: 120
cell_volume: 706.569
crystal_density: 3.384
atoms_aniso_label: "<missing>"
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atoms_aniso_u12: 0
atoms_aniso_u13: 0
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atoms_sites:
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formula: (Zn1.99 Al1.01) Sb O12 H12
compound: Lucchetti marble quarry, Fantiscritti marble basin, Carrara, Apuan
formula_title: <missing>
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b: 5.3270
c: 9.792
alpha: 90
beta: 90
gamma: 120
cell_volume: 240.640
crystal_density: 3.334
atoms_sites: ["Zn", "Al", "Al", "Zn", "Sb", "O1", "O2", "H1", "H2"]
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pub_title:
 Zincalstibite, a new mineral, and cualstibite: Crystal chemical and structural
 relationships
 Alps, Tuscany, Italy

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formula: Fe.437 Mn.356 Mg.16 Ca.017 Cr.019 Zn.001 S
compound: Zaklodzie enstatite achondrite meteorite
pub_title: New chemical and physical data on keilite from the Zaklodzie enstatite achondrite
formula_title: <missing>
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b: 5.1717
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beta: 90
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cell_volume: 138.325
crystal_density: 3.921
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formula: (Mg.96 Sc.52) Li.52 Si2 O6
compound: Synthetic
pub_title: Synthesis and crystal structure of Li0.52Mg0.96Sc0.52Si2O6 orthopyroxene
formula_title: (Li.52Mg.48)(Mg.48Sc.52)Si2O6
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b: 8.883
c: 5.271
alpha: 90
beta: 90
gamma: 90
cell_volume: 854.928
crystal_density: 3.146
atoms_sites: ["Mg1", "Sc1", "Li2", "Mg2", "SiA", "SiB", "O1A", "O1B", "O2A", "O2B", "O3A", "O3B"]
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formula: Na.29 Mn O2.691 H1.381
compound: Synthetic
formula_title: <missing>
a: 5.1780
b: 2.8509
c: 7.3344
alpha: 89.45
beta: 103.18
gamma: 89.91
cell_volume: 105.412
crystal_density: 3.341
atoms_sites: ["Na", "Mn", "O", "Wat"]
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pub_title:
 Time-resolved structural analysis of K-and Ba-exchange reactions with synthetic
 Na-birnessite using synchrotron X-ray diffraction
 Sample: Na-birnessite

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formula: K.23 Mn O2.776 H1.552
compound: Synthetic
formula_title: <missing>
a: 5.1371
b: 2.8476
c: 7.2131
alpha: 89.96
beta: 100.75
gamma: 89.702
cell_volume: 103.663
crystal_density: 3.521
atoms_sites: ["K", "Mn", "O", "Wat"]
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pub_title:
 Time-resolved structural analysis of K-and Ba-exchange reactions with synthetic
 Na-birnessite using synchrotron X-ray diffraction
 Sample: K-birnessite

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formula: Ba.145 Mn O2.444 H.888
compound: Synthetic
formula_title: Ba.29Mn2O4*.888H2O
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b: 2.8476
c: 7.3076
alpha: 89.516
beta: 102.957
gamma: 89.897
cell_volume: 104.862
crystal_density: 3.637
atoms_sites: ["Ba", "Mn", "O", "Wat"]
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pub_title:
 Time-resolved structural analysis of K-and Ba-exchange reactions with synthetic
 Na-birnessite using synchrotron X-ray diffraction
 Sample: Ba-birnessite

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formula: Si C
compound: 150 km NW from Izmir, Turkey
pub_title: The 6H-SiC structure model: Further refinement from SCXRD data from a terrestrial moissanite
formula_title: <missing>
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b: 3.0810
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formula: Al2.28 Si.72 O4.86
compound: <missing>
pub_title: Cobalt incorporation in mullite Sample: MU0
formula_title: <missing>
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b: 7.6872
c: 2.8843
alpha: 90
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gamma: 90
cell_volume: 167.444
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formula: Al2.25 Co.015 Si.735 O4.86
compound: <missing>
pub_title: Cobalt incorporation in mullite Sample: MU1
formula_title: <missing>
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b: 7.6882
c: 2.8860
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beta: 90
gamma: 90
cell_volume: 167.782
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formula: K5 Na6 Mn15 Si36 O104.02 H22.04
compound: Khibiny alkaline massif, Kola Peninsula, Russia
formula_title: <missing>
a: 17.333
b: 23.539
c: 13.4895
alpha: 90
beta: 115.069
gamma: 90
cell_volume: 4985.274
crystal_density: 2.568
pub_title:
 Armbrusterite, K5Na6Mn3+Mn2+14[Si9O22]4(OH)10*4H2O, a new Mn hydrous
 heterophyllosilicate from the Khibiny alkaline massif, Kola Peninsula, Russia

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formula: Ca Ge2 O5
compound: <missing>
pub_title: A new high-pressure CaGe2O5 polymorph with 5- and 6-coordinated germanium
formula_title: CaGe2O5
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c: 5.714
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formula: Mg2.292 Fe.255 Al.865 Si1.588 O9 H4
compound: Alpe Raguzzolo, Val Malenco, Italy
formula_title: <missing>
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b: 9.240
c: 14.37
alpha: 90
beta: 96.93
gamma: 90
cell_volume: 703.371
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pub_title:
 Structural effects of pressure on monoclinic chlorite: a single-crystal study
 Sample: P = 0.0001 GPa

atoms_sites:
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formula: Mg2.292 Fe.255 Al.865 Si1.588 O9 H4
compound: Alpe Raguzzolo, Val Malenco, Italy
formula_title: <missing>
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b: 9.227
c: 14.23
alpha: 90
beta: 96.9
gamma: 90
cell_volume: 694.370
crystal_density: 2.735
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pub_title:
 Structural effects of pressure on monoclinic chlorite: a single-crystal study
 Sample: P = 0.77 GPa

atoms_sites:
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formula: Mg2.292 Fe.255 Al.865 Si1.588 O9 H4
compound: Alpe Raguzzolo, Val Malenco, Italy
formula_title: <missing>
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b: 9.190
c: 14.20
alpha: 90
beta: 96.9
gamma: 90
cell_volume: 687.148
crystal_density: 2.764
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pub_title:
 Structural effects of pressure on monoclinic chlorite: a single-crystal study
 Sample: P = 1.52 GPa

atoms_sites:
["MgM1", "FeM1", "AlM1", "MgM2", "FeM2", "AlM2", "MgM3", "FeM3", "AlM3", "MgM4", "FeM4", "AlM4", "SiT", "AlT", "O1", "O2", "O3", "O-H1", "O-H2", "O-H3"]

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formula: Mg2.292 Fe.255 Al.865 Si1.588 O9 H4
compound: Alpe Raguzzolo, Val Malenco, Italy
formula_title: <missing>
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pub_title:
 Structural effects of pressure on monoclinic chlorite: a single-crystal study
 Sample: P = 2.28 GPa

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formula: Mg2.292 Fe.255 Al.865 Si1.588 O9 H4
compound: Alpe Raguzzolo, Val Malenco, Italy
formula_title: <missing>
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pub_title:
 Structural effects of pressure on monoclinic chlorite: a single-crystal study
 Sample: P = 3.66 GPa

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formula: Mg2.292 Fe.255 Al.865 Si1.588 O9 H4
compound: Alpe Raguzzolo, Val Malenco, Italy
formula_title: <missing>
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pub_title:
 Structural effects of pressure on monoclinic chlorite: a single-crystal study
 Sample: P = 4.52 GPa

atoms_x:
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formula: Mg2.292 Fe.255 Al.865 Si1.588 O9 H4
compound: Alpe Raguzzolo, Val Malenco, Italy
formula_title: <missing>
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pub_title:
 Structural effects of pressure on monoclinic chlorite: a single-crystal study
 Sample: P = 5.47 GPa

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formula: (K.93 Na.07) (Mg1.5 Fe1.11 Ti.39) (Al1.2 Si2.8) O12
compound: Mt. Sassetto, Tolfa district, Latium, Italy
formula_title: <missing>
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gamma: 90
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pub_title:
 Crystal chemistry of trioctahedral micas in alkaline and subalkaline volcanic
 rocks: A case study from Mt. Sassetto (Tolfa district, Latium, central Italy)
 Sample: MS1
 Note: 2M_1 polytype

atoms_sites:
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formula: K.87 Na.06 (Mg1.5 Fe1.11 Ti.39) (Al1.08 Si2.92) O12
compound: Mt. Sassetto, Tolfa district, Latium, Italy
formula_title: <missing>
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alpha: 90
beta: 100.222
gamma: 90
cell_volume: 493.277
crystal_density: 3.068
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pub_title:
 Crystal chemistry of trioctahedral micas in alkaline and subalkaline volcanic
 rocks: A case study from Mt. Sassetto (Tolfa district, Latium, central Italy)
 Sample: MS2
 Note: 1M polytype

atoms_sites:
["KA", "NaA", "MgM1", "Fe2+M1", "TiM1", "MgM2", "Fe2+M2", "TiM2", "AlT", "SiT", "O1", "O2", "O3", "O4"]

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formula: K.89 Na.07 (Mg1.5 Fe1.11 Ti.39) (Al1.12 Si2.88) O12
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formula_title: <missing>
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pub_title:
 Crystal chemistry of trioctahedral micas in alkaline and subalkaline volcanic
 rocks: A case study from Mt. Sassetto (Tolfa district, Latium, central Italy)
 Sample: MS4
 Note: 2M_1 polytype

atoms_sites:
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compound: Mt. Sassetto, Tolfa district, Latium, Italy
formula_title: <missing>
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gamma: 90
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pub_title:
 Crystal chemistry of trioctahedral micas in alkaline and subalkaline volcanic
 rocks: A case study from Mt. Sassetto (Tolfa district, Latium, central Italy)
 Sample: MS9
 Note: 1M polytype

atoms_sites:
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formula: (K.93 Na.07) (Mg1.5 Fe1.11 Ti.39) (Al1.08 Si2.92) O12
compound: Mt. Sassetto, Tolfa district, Latium, Italy
formula_title: <missing>
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alpha: 90
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gamma: 90
cell_volume: 492.622
crystal_density: 3.089
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pub_title:
 Crystal chemistry of trioctahedral micas in alkaline and subalkaline volcanic
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pub_title:
 Crystal chemistry of trioctahedral micas in alkaline and subalkaline volcanic
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 Crystal chemistry of trioctahedral micas in alkaline and subalkaline volcanic
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 Crystal chemistry of trioctahedral micas in alkaline and subalkaline volcanic
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 Crystal chemistry of trioctahedral micas in alkaline and subalkaline volcanic
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 Note: 1M polytype

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 Crystal chemistry of trioctahedral micas in alkaline and subalkaline volcanic
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 Crystal chemistry of trioctahedral micas in alkaline and subalkaline volcanic
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 Crystal chemistry of trioctahedral micas in alkaline and subalkaline volcanic
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pub_title:
 Crystal chemistry of trioctahedral micas in alkaline and subalkaline volcanic
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pub_title:
 Crystal chemistry of trioctahedral micas in alkaline and subalkaline volcanic
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pub_title:
 Crystal chemistry of trioctahedral micas in alkaline and subalkaline volcanic
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pub_title:
 Crystal chemistry of trioctahedral micas in alkaline and subalkaline volcanic
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 Note: 2M_1 polytype

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formula: Na Ga Si2 O6
compound: <missing>
pub_title: Low-temperature behavior of NaGaSi2O6 Sample: T = 235 K
formula_title: NaGaSi2O6
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formula: Na Ga Si2 O6
compound: <missing>
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formula_title: NaGaSi2O6
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formula: Na Ga Si2 O6
compound: <missing>
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formula_title: NaGaSi2O6
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formula: Na Ga Si2 O6
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pub_title:
 Light-induced alteration of arsenic sulfides: A new product having an
 orthorhombic crystal structure

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formula: Ba Si O3
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formula_title: BaSiO3
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beta: 90
gamma: 120
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pub_title:
 Rhombohedral (9R) and hexagonal (6H) perovskites in barium silicates under high
 pressure
 Sample: P = 27.9 GPa

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formula: Ba Si O3
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formula_title: BaSiO3
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pub_title:
 Rhombohedral (9R) and hexagonal (6H) perovskites in barium silicates under high
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 Sample: P = 48.5 GPa

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compound: Katanga, Congo
pub_title: Neptunium incorporation in sodium-substituted metaschoepite Sample: Natural
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compound: Latium, Italy
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pub_title:
 Single-crystal FTIR and X-ray study of vishnevite, ideally
 [Na6(SO4)][Na2(H2O)2](Si6Al6O24)
 Sample: Pi4

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pub_title:
 Order and miscibility in the otavite - magnesite solid solution
 Sample: X_Mg = .5, synthesized at 500 C, 1 GPa, 96 h

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pub_title:
 Order and miscibility in the otavite - magnesite solid solution
 Sample: X_Mg = .5, synthesized at 500 C, 1 GPa, 96 h
 Sample: disordered at T = 600 C, t = 20 min

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pub_title:
 Order and miscibility in the otavite - magnesite solid solution
 Sample: X_Mg = .5, synthesized at 500 C, 1 GPa, 96 h
 Sample: disordered at T = 600 C, t = 48 h

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formula_title: <missing>
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cell_volume: 341.733
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pub_title:
 Order and miscibility in the otavite - magnesite solid solution
 Sample: X_Mg = 0, synthesized at 600 C, 1 GPa, 3 h

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pub_title:
 Order and miscibility in the otavite - magnesite solid solution
 Sample: X_Mg = .1, synthesized at 600 C, 1 GPa, 3 h

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pub_title:
 Order and miscibility in the otavite - magnesite solid solution
 Sample: X_Mg = .2, synthesized at 600 C, 1 GPa, 3 h

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pub_title:
 Order and miscibility in the otavite - magnesite solid solution
 Sample: X_Mg = .3, synthesized at 600 C, 1 GPa, 3 h

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pub_title:
 Order and miscibility in the otavite - magnesite solid solution
 Sample: X_Mg = .4, synthesized at 600 C, 1 GPa, 3 h

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pub_title:
 Order and miscibility in the otavite - magnesite solid solution
 Sample: X_Mg = .5, synthesized at 600 C, 1 GPa, 3 h

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pub_title:
 Order and miscibility in the otavite - magnesite solid solution
 Sample: X_Mg = .6, synthesized at 600 C, 1 GPa, 3 h

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pub_title:
 Order and miscibility in the otavite - magnesite solid solution
 Sample: X_Mg = 1, synthesized at 600 C, 1 GPa, 3 h

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compound: Synthetic
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pub_title:
 Order and miscibility in the otavite - magnesite solid solution
 Sample: X_Mg = .4, synthesized at 600 C, 1 GPa, 19 h

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pub_title:
 Order and miscibility in the otavite - magnesite solid solution
 Sample: X_Mg = .45, synthesized at 600 C, 1 GPa, 19 h

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pub_title:
 Order and miscibility in the otavite - magnesite solid solution
 Sample: X_Mg = .5, synthesized at 600 C, 1 GPa, 19 h

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pub_title:
 Order and miscibility in the otavite - magnesite solid solution
 Sample: X_Mg = .55, synthesized at 600 C, 1 GPa, 19 h

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pub_title:
 Order and miscibility in the otavite - magnesite solid solution
 Sample: X_Mg = .5, synthesized at 600 C, 1 GPa, 96 h

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compound: Synthetic
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alpha: 90
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cell_volume: 311.135
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pub_title:
 Order and miscibility in the otavite - magnesite solid solution
 Sample: X_Mg = .5, synthesized at 650 C, 1 GPa, 120 h

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alpha: 90
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gamma: 120
cell_volume: 310.976
crystal_density: 4.113
atoms_sites: ["Mg", "Cd", "C", "O"]
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pub_title:
 Order and miscibility in the otavite - magnesite solid solution
 Sample: X_Mg = .5, synthesized at 700 C, 1 GPa, 24 h

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formula_title: <missing>
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beta: 90
gamma: 120
cell_volume: 341.649
crystal_density: 5.028
atoms_sites: ["Cd", "C", "O"]
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pub_title:
 Order and miscibility in the otavite - magnesite solid solution
 Sample: X_Mg = 0, synthesized at 800 C, 1 GPa, 1 h

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compound: Synthetic
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alpha: 90
beta: 90
gamma: 120
cell_volume: 335.720
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pub_title:
 Order and miscibility in the otavite - magnesite solid solution
 Sample: X_Mg = .1, synthesized at 800 C, 1 GPa, 1 h

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compound: Synthetic
formula_title: <missing>
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c: 16.0679
alpha: 90
beta: 90
gamma: 120
cell_volume: 329.186
crystal_density: 4.685
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pub_title:
 Order and miscibility in the otavite - magnesite solid solution
 Sample: X_Mg = .2, synthesized at 800 C, 1 GPa, 1 h

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compound: Synthetic
formula_title: <missing>
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c: 15.9434
alpha: 90
beta: 90
gamma: 120
cell_volume: 322.658
crystal_density: 4.508
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pub_title:
 Order and miscibility in the otavite - magnesite solid solution
 Sample: X_Mg = .3, synthesized at 800 C, 1 GPa, 1 h

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compound: Synthetic
formula_title: <missing>
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c: 15.8358
alpha: 90
beta: 90
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cell_volume: 317.227
crystal_density: 4.308
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pub_title:
 Order and miscibility in the otavite - magnesite solid solution
 Sample: X_Mg = .4, synthesized at 800 C, 1 GPa, 1 h

qdat:
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formula: (Cd.5 Mg.5) C O3
compound: Synthetic
formula_title: <missing>
a: 4.7788
b: 4.7788
c: 15.6968
alpha: 90
beta: 90
gamma: 120
cell_volume: 310.441
crystal_density: 4.120
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pub_title:
 Order and miscibility in the otavite - magnesite solid solution
 Sample: X_Mg = .5, synthesized at 800 C, 1 GPa, 1 h

qdat:
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formula: (Cd.4 Mg.6) C O3
compound: Synthetic
formula_title: <missing>
a: 4.7510
b: 4.7510
c: 15.5745
alpha: 90
beta: 90
gamma: 120
cell_volume: 304.449
crystal_density: 3.913
atoms_sites: ["Cd", "Mg", "C", "O"]
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pub_title:
 Order and miscibility in the otavite - magnesite solid solution
 Sample: X_Mg = .6, synthesized at 800 C, 1 GPa, 1 h

qdat:
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formula: (Cd.1 Mg.9) C O3
compound: Synthetic
formula_title: <missing>
a: 4.6638
b: 4.6638
c: 15.1720
alpha: 90
beta: 90
gamma: 120
cell_volume: 285.794
crystal_density: 3.246
atoms_sites: ["Cd", "Mg", "C", "O"]
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pub_title:
 Order and miscibility in the otavite - magnesite solid solution
 Sample: X_Mg = .9, synthesized at 800 C, 1 GPa, 1 h

qdat:
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formula: Mg C O3
compound: Synthetic
formula_title: <missing>
a: 4.6334
b: 4.6334
c: 15.0178
alpha: 90
beta: 90
gamma: 120
cell_volume: 279.214
crystal_density: 3.009
atoms_sites: ["Mg", "C", "O"]
atoms_x: AAAAAAAAAABgBxEA
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pub_title:
 Order and miscibility in the otavite - magnesite solid solution
 Sample: X_Mg = 1, synthesized at 800 C, 1 GPa, 1 h

qdat:
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formula: (Mg.976 Fe.024) Al3 B Si O9
compound: Madagascar
formula_title: <missing>
a: 10.3250
b: 10.9575
c: 5.7600
alpha: 90
beta: 90
gamma: 90
cell_volume: 651.664
crystal_density: 2.945
atoms_sites: ["Mg", "Fe", "Al1", "Al2", "Al3", "B", "Si", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
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pub_title:
 The geometric effects of VFe2+ for VMg substitution on the crystal structures
 of the grandidierite-ominelite series
 Sample: G17

qdat:
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formula: (Mg.874 Fe.126) Al3 B Si O9
compound: Long Lake, Larsemann Hills, Antarctica
formula_title: <missing>
a: 10.3330
b: 10.9858
c: 5.7667
alpha: 90
beta: 90
gamma: 90
cell_volume: 654.614
crystal_density: 2.964
atoms_sites: ["Mg", "Fe", "Al1", "Al2", "Al3", "B", "Si", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
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pub_title:
 The geometric effects of VFe2+ for VMg substitution on the crystal structures
 of the grandidierite-ominelite series
 Sample: G8

qdat:
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formula: (Mg.818 Fe.182) Al3 B Si O9
compound: Sahakondra, Ampamatoa, Madagascar
formula_title: <missing>
a: 10.3317
b: 10.9904
c: 5.7634
alpha: 90
beta: 90
gamma: 90
cell_volume: 654.431
crystal_density: 2.983
atoms_sites: ["Mg", "Fe", "Al1", "Al2", "Al3", "B", "Si", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
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pub_title:
 The geometric effects of VFe2+ for VMg substitution on the crystal structures
 of the grandidierite-ominelite series
 Sample: G4

qdat:
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formula: (Mg.726 Fe.274) Al3 B Si O9
compound: Zimbabwe
formula_title: <missing>
a: 10.3347
b: 11.0034
c: 5.7627
alpha: 90
beta: 90
gamma: 90
cell_volume: 655.316
crystal_density: 3.008
atoms_sites: ["Mg", "Fe", "Al1", "Al2", "Al3", "B", "Si", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
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pub_title:
 The geometric effects of VFe2+ for VMg substitution on the crystal structures
 of the grandidierite-ominelite series
 Sample: G12

qdat:
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formula: (Mg.666 Fe.334) Al3 B Si O9
compound: Karibe area, Zimbabwe
formula_title: <missing>
a: 10.3360
b: 11.0148
c: 5.7657
alpha: 90
beta: 90
gamma: 90
cell_volume: 656.419
crystal_density: 3.022
atoms_sites: ["Mg", "Fe", "Al1", "Al2", "Al3", "B", "Si", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
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pub_title:
 The geometric effects of VFe2+ for VMg substitution on the crystal structures
 of the grandidierite-ominelite series
 Sample: G1

qdat:
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formula: (Mg.55 Fe.45) Al3 B Si O9
compound: Andrahomana, Madagascar
formula_title: <missing>
a: 10.3403
b: 11.0332
c: 5.7655
alpha: 90
beta: 90
gamma: 90
cell_volume: 657.766
crystal_density: 3.053
atoms_sites: ["Mg", "Fe", "Al1", "Al2", "Al3", "B", "Si", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
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pub_title:
 The geometric effects of VFe2+ for VMg substitution on the crystal structures
 of the grandidierite-ominelite series
 Sample: G2

qdat:
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formula: (Mg.478 Fe.522) Al3 B Si O9
compound: Almgjotheii, Rogaland, Norway
formula_title: <missing>
a: 10.3450
b: 11.0519
c: 5.7656
alpha: 90
beta: 90
gamma: 90
cell_volume: 659.192
crystal_density: 3.069
atoms_sites: ["Mg", "Fe", "Al1", "Al2", "Al3", "B", "Si", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
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pub_title:
 The geometric effects of VFe2+ for VMg substitution on the crystal structures
 of the grandidierite-ominelite series
 Sample: G9

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pub_title:
 The geometric effects of VFe2+ for VMg substitution on the crystal structures
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 Sample: ominelite

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pub_title:
 Gram-Charlier development of the atomic displacement factors into mineral
 structures: The case of samsonite, Ag4MnSb2S6
 Sample: T = 100 K

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pub_title:
 Gram-Charlier development of the atomic displacement factors into mineral
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 Sample: T = 300 K

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formula: Ag4 Mn Sb2 S6
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pub_title:
 Gram-Charlier development of the atomic displacement factors into mineral
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 Sample: T = 300 K, refined using Gram-Charlier displacement factors

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pub_title:
 Gram-Charlier development of the atomic displacement factors into mineral
 structures: The case of samsonite, Ag4MnSb2S6
 Sample: T = 400 K

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pub_title:
 Gram-Charlier development of the atomic displacement factors into mineral
 structures: The case of samsonite, Ag4MnSb2S6
 Sample: T = 400 K, refined using Gram-Charlier displacement factors

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formula: Ca3 Mn Sb3.983 Mg.017 O14
compound: Langban mine, Varmland, Sweden
pub_title: The crystal structure of ingersonite, Ca3Mn2+Sb5+4O14, and its relationships with pyrochlore
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formula: Mg.874 Al.23 Si.875 O3
compound: Synthetic
pub_title: Crystal chemistry of hydration in aluminous orthopyroxene
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formula: K H C O3
compound: <missing>
pub_title: The high-pressure crystal structure of potassium hydrogen carbonate (KHCO3) Sample: P = 5.5 GPa
formula_title: KHCO3
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b: 5.2974
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formula: K D C O3
compound: <missing>
formula_title: KHCO3
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b: 5.6298
c: 3.7088
alpha: 90
beta: 104.534
gamma: 90
cell_volume: 307.116
crystal_density: 2.187
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pub_title:
 The high-pressure crystal structure of
 potassium hydrogen carbonate (KHCO3)
 Note: Kalicinite-type structure
 Sample: P = 0.00 GPa

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formula: K D C O3
compound: <missing>
formula_title: KHCO3
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b: 5.6144
c: 3.6932
alpha: 90
beta: 104.110
gamma: 90
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crystal_density: 2.212
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pub_title:
 The high-pressure crystal structure of
 potassium hydrogen carbonate (KHCO3)
 Note: Kalicinite-type structure
 Sample: P = 0.30 GPa

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formula: K D C O3
compound: <missing>
formula_title: KHCO3
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c: 3.6691
alpha: 90
beta: 103.538
gamma: 90
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pub_title:
 The high-pressure crystal structure of
 potassium hydrogen carbonate (KHCO3)
 Note: Kalicinite-type structure
 Sample: P = 0.74 GPa

qdat:
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formula: K D C O3
compound: <missing>
formula_title: KHCO3
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c: 3.6509
alpha: 90
beta: 103.021
gamma: 90
cell_volume: 292.976
crystal_density: 2.293
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pub_title:
 The high-pressure crystal structure of
 potassium hydrogen carbonate (KHCO3)
 Note: Kalicinite-type structure
 Sample: P = 1.17 GPa

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formula: K D C O3
compound: <missing>
formula_title: KHCO3
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alpha: 90
beta: 102.527
gamma: 90
cell_volume: 287.955
crystal_density: 2.333
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pub_title:
 The high-pressure crystal structure of
 potassium hydrogen carbonate (KHCO3)
 Note: Kalicinite-type structure
 Sample: P = 1.67 GPa

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formula: K D C O3
compound: <missing>
formula_title: KHCO3
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b: 5.5216
c: 3.6211
alpha: 90
beta: 102.132
gamma: 90
cell_volume: 284.321
crystal_density: 2.362
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pub_title:
 The high-pressure crystal structure of
 potassium hydrogen carbonate (KHCO3)
 Note: Kalicinite-type structure
 Sample: P = 2.10 GPa

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formula: K D C O3
compound: <missing>
formula_title: KHCO3
a: 14.419
b: 5.5011
c: 3.6093
alpha: 90
beta: 101.731
gamma: 90
cell_volume: 280.311
crystal_density: 2.396
atoms_sites: ["K", "D", "C", "O1", "O2", "O3"]
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pub_title:
 The high-pressure crystal structure of
 potassium hydrogen carbonate (KHCO3)
 Note: Kalicinite-type structure
 Sample: P = 2.50 GPa

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formula: K D C O3
compound: <missing>
formula_title: KHCO3
a: 14.330
b: 5.4868
c: 3.6024
alpha: 90
beta: 101.457
gamma: 90
cell_volume: 277.598
crystal_density: 2.420
atoms_sites: ["K", "D", "C", "O1", "O2", "O3"]
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pub_title:
 The high-pressure crystal structure of
 potassium hydrogen carbonate (KHCO3)
 Note: Kalicinite-type structure
 Sample: P = 2.84 GPa

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formula: K D C O3
compound: <missing>
pub_title: The high-pressure crystal structure of potassium hydrogen carbonate (KHCO3) Sample: P = 3.45 GPa
formula_title: KHCO3
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alpha: 95.132
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formula: K D C O3
compound: <missing>
pub_title: The high-pressure crystal structure of potassium hydrogen carbonate (KHCO3) Sample: P = 4.10 GPa
formula_title: KHCO3
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gamma: 109.167
cell_volume: 129.358
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formula: K D C O3
compound: <missing>
pub_title: The high-pressure crystal structure of potassium hydrogen carbonate (KHCO3) Sample: P = 4.77 GPa
formula_title: KHCO3
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alpha: 95.253
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formula: K D C O3
compound: <missing>
pub_title: The high-pressure crystal structure of potassium hydrogen carbonate (KHCO3) Sample: P = 5.38 GPa
formula_title: KHCO3
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alpha: 95.297
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formula: K D C O3
compound: <missing>
pub_title: The high-pressure crystal structure of potassium hydrogen carbonate (KHCO3) Sample: P = 6.02 GPa
formula_title: KHCO3
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b: 5.2765
c: 4.2139
alpha: 95.306
beta: 100.539
gamma: 108.786
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formula: K D C O3
compound: <missing>
pub_title: The high-pressure crystal structure of potassium hydrogen carbonate (KHCO3) Sample: P = 6.57 GPa
formula_title: KHCO3
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alpha: 95.293
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formula: K D C O3
compound: <missing>
pub_title: The high-pressure crystal structure of potassium hydrogen carbonate (KHCO3) Sample: P = 7.18 GPa
formula_title: KHCO3
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c: 4.1958
alpha: 95.292
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cell_volume: 122.074
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formula: K D C O3
compound: <missing>
pub_title: The high-pressure crystal structure of potassium hydrogen carbonate (KHCO3) Sample: P = 7.61 GPa
formula_title: KHCO3
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formula: K D C O3
compound: <missing>
pub_title: The high-pressure crystal structure of potassium hydrogen carbonate (KHCO3) Sample: P = 8.30 GPa
formula_title: KHCO3
a: 5.9577
b: 5.2189
c: 4.1792
alpha: 95.306
beta: 100.155
gamma: 108.412
cell_volume: 119.822
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formula: Mg Al2 O4
compound: <missing>
formula_title: MgAl2O4
a: 9.9498
b: 8.6468
c: 2.7901
alpha: 90
beta: 90
gamma: 90
cell_volume: 240.043
crystal_density: 3.937
atoms_sites: ["Mg", "Al1", "Al2", "O1", "O2", "O3", "O4"]
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pub_title:
 High-pressure relations and crystal chemistry of calcium ferrite-type solid
 solutions in the system MgAl2O4-Mg2SiO4
 Note: synthesized from MgAl2O4 spinel at 27 GPa and 2200 C
 Note: data collected at room conditinos

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formula: (Sr.11 Ca1.89) Al3 Si3 O13 H
compound: Synthetic
formula_title: <missing>
a: 16.1941
b: 5.5505
c: 10.0483
alpha: 90
beta: 90
gamma: 90
cell_volume: 903.195
crystal_density: 3.380
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pub_title:
 Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH
 solid solution series of zoisite and clinozoisite
 Sample: Run no. = Au32, X(Sr) = .06

atoms_sites:
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formula: (Sr.26 Ca1.74) Al3 Si3 O13 H
compound: Synthetic
formula_title: <missing>
a: 16.2023
b: 5.5512
c: 10.0589
alpha: 90
beta: 90
gamma: 90
cell_volume: 904.720
crystal_density: 3.426
atoms_u_iso: 0
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pub_title:
 Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH
 solid solution series of zoisite and clinozoisite
 Sample: Run no. = Au40, X(Sr) = .13

atoms_sites:
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atoms_z:
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formula: (Sr.32 Ca1.68) Al3 Si3 O13 H
compound: Synthetic
formula_title: <missing>
a: 16.2100
b: 5.5529
c: 10.0695
alpha: 90
beta: 90
gamma: 90
cell_volume: 906.381
crystal_density: 3.441
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:
 Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH
 solid solution series of zoisite and clinozoisite
 Sample: Run no. = Au45, X(Sr) = .16

atoms_sites:
["SrA1", "CaA1", "SrA2", "CaA2", "Al1", "Al2", "Si1", "Si2", "Si3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "H"]

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atoms_z:
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formula: (Sr.43 Ca1.57) Al3 Si3 O13 H
compound: Synthetic
formula_title: <missing>
a: 16.2384
b: 5.5580
c: 10.0877
alpha: 90
beta: 90
gamma: 90
cell_volume: 910.445
crystal_density: 3.464
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:
 Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH
 solid solution series of zoisite and clinozoisite
 Sample: Run no. = Pt4, X(Sr) = .22

atoms_x:
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formula: (Sr.5 Ca1.5) Al3 Si3 O13 H
compound: Synthetic
formula_title: <missing>
a: 16.2278
b: 5.5576
c: 10.0893
alpha: 90
beta: 90
gamma: 90
cell_volume: 909.930
crystal_density: 3.490
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:
 Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH
 solid solution series of zoisite and clinozoisite
 Sample: Run no. = Au31, X(Sr) = .25

atoms_x:
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qdat:
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formula: (Sr.5 Ca1.5) Al3 Si3 O13 H
compound: Synthetic
formula_title: <missing>
a: 16.2383
b: 5.5603
c: 10.1019
alpha: 90
beta: 90
gamma: 90
cell_volume: 912.099
crystal_density: 3.482
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:
 Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH
 solid solution series of zoisite and clinozoisite
 Sample: Run no. = Au34, X(Sr) = .24

atoms_x:
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qdat:
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formula: (Sr.63 Ca1.37) Al3 Si3 O13 H
compound: Synthetic
formula_title: <missing>
a: 16.2435
b: 5.5592
c: 10.1083
alpha: 90
beta: 90
gamma: 90
cell_volume: 912.788
crystal_density: 3.524
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:
 Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH
 solid solution series of zoisite and clinozoisite
 Sample: Run no. = Au30, X(Sr) = .32

atoms_x:
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atoms_z:
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qdat:
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formula: (Sr.76 Ca1.24) Al3 Si3 O13 H
compound: Synthetic
formula_title: <missing>
a: 16.253
b: 5.5630
c: 10.1196
alpha: 90
beta: 90
gamma: 90
cell_volume: 914.968
crystal_density: 3.561
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:
 Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH
 solid solution series of zoisite and clinozoisite
 Sample: Run no. = Au42, X(Sr) = .37

atoms_x:
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qdat:
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formula: (Sr.85 Ca1.15) Al3 Si3 O13 H
compound: Synthetic
formula_title: <missing>
a: 16.2798
b: 5.5676
c: 10.1388
alpha: 90
beta: 90
gamma: 90
cell_volume: 918.975
crystal_density: 3.576
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:
 Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH
 solid solution series of zoisite and clinozoisite
 Sample: Run no. = Pt3, X(Sr) = .42

atoms_x:
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qdat:
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formula: (Sr1.04 Ca.96) Al3 Si3 O13 H
compound: Synthetic
formula_title: <missing>
a: 16.2864
b: 5.5719
c: 10.1606
alpha: 90
beta: 90
gamma: 90
cell_volume: 922.036
crystal_density: 3.629
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:
 Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH
 solid solution series of zoisite and clinozoisite
 Sample: Run no. = Pt36, X(Sr) = .52

atoms_x:
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atoms_z:
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qdat:
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formula: (Sr1.27 Ca.73) Al3 Si3 O13 H
compound: Synthetic
formula_title: <missing>
a: 16.3048
b: 5.5769
c: 10.1819
alpha: 90
beta: 90
gamma: 90
cell_volume: 925.843
crystal_density: 3.693
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:
 Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH
 solid solution series of zoisite and clinozoisite
 Sample: Run no. = Pt2, X(Sr) = .63

atoms_x:
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atoms_z:
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qdat:
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formula: (Sr1.33 Ca.67) Al3 Si3 O13 H
compound: Synthetic
formula_title: <missing>
a: 16.3095
b: 5.5814
c: 10.1907
alpha: 90
beta: 90
gamma: 90
cell_volume: 927.658
crystal_density: 3.706
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:
 Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH
 solid solution series of zoisite and clinozoisite
 Sample: Run no. = Au23, X(Sr) = .66

atoms_x:
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atoms_z:
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atoms_occupancy:
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qdat:
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formula: (Sr1.54 Ca.46) Al3 Si3 O13 H
compound: Synthetic
formula_title: <missing>
a: 16.3229
b: 5.5871
c: 10.2132
alpha: 90
beta: 90
gamma: 90
cell_volume: 931.420
crystal_density: 3.762
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:
 Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH
 solid solution series of zoisite and clinozoisite
 Sample: Run no. = Au22, X(Sr) = .77

atoms_x:
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atoms_y:
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atoms_z:
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qdat:
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formula: (Sr1.72 Ca.28) Al3 Si3 O13 H
compound: Synthetic
formula_title: <missing>
a: 16.3432
b: 5.5943
c: 10.2378
alpha: 90
beta: 90
gamma: 90
cell_volume: 936.029
crystal_density: 3.804
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:
 Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH
 solid solution series of zoisite and clinozoisite
 Sample: Run no. = Au33, X(Sr) = .86

atoms_x:
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atoms_occupancy:
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qdat:
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formula: (Sr1.74 Ca.26) Al3 Si3 O13 H
compound: Synthetic
formula_title: <missing>
a: 16.3376
b: 5.5936
c: 10.2407
alpha: 90
beta: 90
gamma: 90
cell_volume: 935.857
crystal_density: 3.812
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:
 Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH
 solid solution series of zoisite and clinozoisite
 Sample: Run no. = Au44, X(Sr) = .87

atoms_x:
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formula: Sr2 Al3 Si3 O13 H
compound: Synthetic
formula_title: <missing>
a: 16.3548
b: 5.5985
c: 10.2600
alpha: 90
beta: 90
gamma: 90
cell_volume: 939.430
crystal_density: 3.885
atoms_x: 0H0WAKDkGwDQdQ8A4LkGAMBYBQDAKxkAIPkJAJBOCABwiQYAcCkWACCWDQAAEA4AoNsQACAcAACAVwAAIE4ZAGC8EACA3g8A
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atoms_u_iso: 0
atoms_aniso_label: "<missing>"
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atoms_aniso_u23: 0
pub_title:
 Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH
 solid solution series of zoisite and clinozoisite
 Sample: Run no. = Au21, X(Sr) = 1

atoms_sites:
["SrA1", "SrA2", "Al1", "Al2", "Si1", "Si2", "Si3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "H"]

qdat:
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formula: (Sr.157 Ca1.843) Al3 Si3 O13 H
compound: Synthetic
formula_title: <missing>
a: 8.8652
b: 5.5753
c: 10.1449
alpha: 90
beta: 115.42
gamma: 90
cell_volume: 452.878
crystal_density: 3.387
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:
 Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH
 solid solution series of zoisite and clinozoisite
 Sample: Run no. = Au32, X(Sr) = .078

atoms_sites:
["SrA1", "CaA1", "SrA2", "CaA2", "Al1", "Al2", "Al3", "Si1", "Si2", "Si3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "H"]

atoms_x:
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atoms_z:
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qdat:
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formula: Ca1.7 Sr.3 Al3 Si3 O13 H
compound: Synthetic
formula_title: <missing>
a: 8.8688
b: 5.5739
c: 10.1696
alpha: 90
beta: 115.29
gamma: 90
cell_volume: 454.540
crystal_density: 3.424
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:
 Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH
 solid solution series of zoisite and clinozoisite
 Sample: Run no. = Au45, X(Sr) = .15

atoms_sites:
["CaA1", "SrA2", "CaA2", "Al1", "Al2", "Al3", "Si1", "Si2", "Si3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "H"]

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qdat:
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formula: (Sr.482 Ca1.518) Al3 Si3 O13 H
compound: Synthetic
formula_title: <missing>
a: 8.8795
b: 5.5766
c: 10.1873
alpha: 90
beta: 115.19
gamma: 90
cell_volume: 456.476
crystal_density: 3.472
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:
 Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH
 solid solution series of zoisite and clinozoisite
 Sample: Run no. = Au31, X(Sr) = .233

atoms_sites:
["SrA1", "CaA1", "SrA2", "CaA2", "Al1", "Al2", "Al3", "Si1", "Si2", "Si3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "H"]

atoms_x:
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atoms_z:
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atoms_occupancy:
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qdat:
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formula: (Sr.496 Ca1.504) Al3 Si3 O13 H
compound: Synthetic
formula_title: <missing>
a: 8.8737
b: 5.5763
c: 10.2014
alpha: 90
beta: 115.15
gamma: 90
cell_volume: 456.935
crystal_density: 3.474
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:
 Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH
 solid solution series of zoisite and clinozoisite
 Sample: Run no. = Au35, X(Sr) = .248

atoms_sites:
["SrA1", "CaA1", "SrA2", "CaA2", "Al1", "Al2", "Al3", "Si1", "Si2", "Si3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "H"]

atoms_x:
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atoms_y:
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atoms_z:
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atoms_occupancy:
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qdat:
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formula: Ca1.504 Sr.496 Al3 Si3 O13 H
compound: Synthetic
formula_title: <missing>
a: 8.8763
b: 5.5774
c: 10.2055
alpha: 90
beta: 115.12
gamma: 90
cell_volume: 457.455
crystal_density: 3.470
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:
 Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH
 solid solution series of zoisite and clinozoisite
 Sample: Run no. = Au34, X(Sr) = .248

atoms_sites:
["CaA1", "SrA2", "CaA2", "Al1", "Al2", "Al3", "Si1", "Si2", "Si3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "H"]

atoms_x:
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atoms_y:
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atoms_z:
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atoms_occupancy:
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qdat:
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formula: (Sr.584 Ca1.416) Al3 Si3 O13 H
compound: Synthetic
formula_title: <missing>
a: 8.8740
b: 5.5767
c: 10.2189
alpha: 90
beta: 115.10
gamma: 90
cell_volume: 457.954
crystal_density: 3.496
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:
 Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH
 solid solution series of zoisite and clinozoisite
 Sample: Run no. = Pt8, X(Sr) = .292

atoms_x:
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atoms_z:
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atoms_occupancy:
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qdat:
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formula: Sr.699 Ca1.302 Al3 Si3 O13 H
compound: Synthetic
formula_title: <missing>
a: 8.8796
b: 5.5790
c: 10.2257
alpha: 90
beta: 115.06
gamma: 90
cell_volume: 458.887
crystal_density: 3.529
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:
 Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH
 solid solution series of zoisite and clinozoisite
 Sample: Run no. = Au42, X(Sr) = .37

atoms_x:
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atoms_z:
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atoms_occupancy:
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qdat:
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formula: (Sr.915 Ca1.085) Al3 Si3 O13 H
compound: Synthetic
formula_title: <missing>
a: 8.8871
b: 5.5828
c: 10.2452
alpha: 90
beta: 114.97
gamma: 90
cell_volume: 460.802
crystal_density: 3.588
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:
 Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH
 solid solution series of zoisite and clinozoisite
 Sample: Run no. = Pt35, X(Sr) = .458

atoms_x:
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atoms_z:
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atoms_occupancy:
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qdat:
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formula: (Sr1.026 Ca.974) Al3 Si3 O13 H
compound: Synthetic
formula_title: <missing>
a: 8.8923
b: 5.5844
c: 10.2585
alpha: 90
beta: 114.99
gamma: 90
cell_volume: 461.727
crystal_density: 3.619
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:
 Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH
 solid solution series of zoisite and clinozoisite
 Sample: Run no. = Au43, X(Sr) = .513

atoms_x:
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formula: (Ca.2 Sr.8) Si2 Al2 O8
compound: Synthetic
formula_title: <missing>
a: 8.370
b: 12.967
c: 14.262
alpha: 90.58
beta: 115.55
gamma: 90.44
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pub_title:
 The high-pressure structural configurations of Ca0.2Sr0.8Al2Si2O8 feldspar:
 The I-1-I2/c and I2/c-P2_1/c phase transitions
 Sample: P = 0.0001 GPa

atoms_sites:
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formula: (Ca.2 Sr.8) Si2 Al2 O8
compound: Synthetic
formula_title: <missing>
a: 8.256
b: 12.842
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pub_title:
 The high-pressure structural configurations of Ca0.2Sr0.8Al2Si2O8 feldspar:
 The I-1-I2/c and I2/c-P2_1/c phase transitions
 Sample: P = 3.2 GPa

atoms_sites:
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compound: Synthetic
formula_title: <missing>
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c: 14.009
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pub_title:
 The high-pressure structural configurations of Ca0.2Sr0.8Al2Si2O8 feldspar:
 The I-1-I2/c and I2/c-P2_1/c phase transitions
 Sample: P = 4.4 GPa

atoms_sites:
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formula: (Ca.2 Sr.8) Si2 Al2 O8
compound: Synthetic
formula_title: <missing>
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beta: 114.98
gamma: 90
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crystal_density: 3.245
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pub_title:
 The high-pressure structural configurations of Ca0.2Sr0.8Al2Si2O8 feldspar:
 The I-1-I2/c and I2/c-P2_1/c phase transitions
 Sample: P = 6.2 GPa

atoms_sites:
["Ca", "Sr", "Si10", "Al1z", "Al20", "Si2z", "OA1", "OA2", "OB0", "OBz", "OC0", "OCz", "OD0", "ODz"]

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formula: (Ca.2 Sr.8) Si2 Al2 O8
compound: Synthetic
formula_title: <missing>
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alpha: 90
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cell_volume: 1261.267
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pub_title:
 The high-pressure structural configurations of Ca0.2Sr0.8Al2Si2O8 feldspar:
 The I-1-I2/c and I2/c-P2_1/c phase transitions
 Sample: P = 7.4 GPa

atoms_sites:
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formula: C2 H
compound: Picacho Peak Area, San Benito County, California, USA
formula_title: <missing>
a: 16.094
b: 4.690
c: 10.049
alpha: 90
beta: 110.79
gamma: 90
cell_volume: 709.119
crystal_density: 1.407
atoms_x: 0Ln4/3Ao+f9w9/z/YL0AACDlBAAAZggAcA8IABCtCwDANAsACFv8/6BaAAAQBQQAMJj2/yAu/f9QKAUAIFcLAICyDgDAvg0A
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atoms_aniso_label: ["C1", "C2", "C3", "C4", "C5", "C6", "C7", "C8", "C9", "C10", "C11", "C12"]
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pub_title:
 Crystal-chemical and carbon-isotopic characteristics of karpatite (C24H12) from
 the Picacho Peak Area, San Benito County, California: Evidences for the
 hydrothermal formation

atoms_sites:
["C1", "C2", "C3", "C4", "C5", "C6", "C7", "C8", "C9", "C10", "C11", "C12", "H2", "H3", "H5", "H6", "H8", "H9"]

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formula: K C O3
compound: Synthetic
formula_title: KHCO3
a: 10.024
b: 6.912
c: 4.1868
alpha: 115.92
beta: 90
gamma: 90
cell_volume: 260.905
crystal_density: 2.523
atoms_sites: ["K", "C", "O1", "O2", "O3"]
atoms_x: GKITAIDIAgBg6wQAwGs4ANCGCAA=
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atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Single-crystal X-ray diffraction study of high-pressure phases of KHCO3
 Sample: phase IV, P = 4.6 GPa
 Note: high-pressure polymorph of kalcinite

qdat:
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formula: Mg Fe2 O4
compound: <missing>
formula_title: MgFe2O4
a: 5.8309
b: 5.8309
c: 8.2218
alpha: 90
beta: 90
gamma: 90
cell_volume: 279.536
crystal_density: 4.752
atoms_sites: ["Mg", "Fe1", "Fe2", "O1", "O2"]
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pub_title:
 A Monte Carlo investigation of the thermodynamics of cation ordering in
 2-3 spinels
 Note: theoretical atom sites using GULP

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formula: Si3.44 Al1.56 Li1.44 Fe.38 Mn.17 Mg.01 (K.95 Na.05) O10.12 (F1.88 H.12)
compound: Hirukawa mine, Ena county, Gifu prefecture, Chibu region, Japan
pub_title: Crystal structure and chemical composition of Li-, Fe-, and Mn-rich micas Sample: Hirukawa
formula_title: <missing>
a: 5.264
b: 9.086
c: 10.099
alpha: 90
beta: 100.719
gamma: 90
cell_volume: 474.594
crystal_density: 2.908
atoms_sites:
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formula: Si3.32 Al1.68 Li1.32 Fe.36 Mn.16 Mg.16 K.94 Na.04 Ca.01 O10.1 (F1.9 H.1)
compound: Mokrusha mine, Yuzhakova village, Murzinka region, Russia
pub_title: Crystal structure and chemical composition of Li-, Fe-, and Mn-rich micas Sample: Mokrusha
formula_title: <missing>
a: 5.297
b: 9.133
c: 10.168
alpha: 90
beta: 100.78
gamma: 90
cell_volume: 483.222
crystal_density: 2.862
atoms_sites:
["SiT1", "AlT1", "SiT11", "AlT11", "LiM1", "FeM1", "MnM1", "MgM1", "AlM2", "LiM3", "FeM3", "MgM3", "KA", "NaA", "CaA", "O1", "O2", "O22", "O3", "O33", "O-H4", "F4"]

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: Si3.12 Al1.79 Li1.06 Fe.46 Mn.52 Mg.03 Ti.02 K.92 Na.05 Rb.02 O10.12 (F1.88 H.12)
compound: Sawtooth Mountains, Boise county, Idaho, USA
pub_title: Crystal structure and chemical composition of Li-, Fe-, and Mn-rich micas Sample: Boise
formula_title: <missing>
a: 5.2984
b: 9.1461
c: 10.0966
alpha: 90
beta: 100.818
gamma: 90
cell_volume: 480.583
crystal_density: 3.012
atoms_sites:
["SiT1", "AlT1", "SiT11", "AlT11", "LiM1", "FeM1", "MnM1", "MgM1", "AlM2", "LiM2", "TiM2", "MgM2", "LiM3", "FeM3", "MnM3", "KA", "NaA", "RbA", "O1", "O2", "O22", "O3", "O33", "O-H4", "F4"]

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: Na1.71 K.01 Ca1.08 Fe2.25 Mg1.64 Al2.88 Ti.06 Zn.02 Mn.01 Si6.24 O23.86 F.14 H1.86
compound: Liset kyanite-eclogite pod, Vestlandet, Norway
formula_title: <missing>
a: 9.7489
b: 17.9377
c: 5.3233
alpha: 90
beta: 104.539
gamma: 90
cell_volume: 901.090
crystal_density: 3.289
pub_title:
 Aluminotaramite, alumino-magnesiotaramite, and fluoro-alumino-magnesiotaramite:
 Mineral data and crystal chemistry
 Note: amphibole
 Sample: K22-2

atoms_sites:
["NaA", "KA", "NaAm", "NaA2", "CaM4", "NaM4", "Fe2+M4", "CaM4*", "NaM4*", "MgM1", "Fe2+M1", "MgM2", "AlM2", "Fe2+M2", "Fe3+M2", "TiM2", "ZnM2", "MgM3", "Fe2+M3", "MnM3", "SiT1", "AlT1", "SiT2", "O1", "O2", "O-h3", "F3", "O4", "O5", "O6", "O7", "H"]

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_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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