# cif

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compound: <missing>
formula_title: <missing>
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beta: 90
gamma: 90
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crystal_density: 2.335
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pub_title:
 Tugtupite: High-temperature structures obtained from in situ synchrotron
 diffraction and Rietveld refinements
 T = 419 C

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formula: Al Be Si4 O12 Na4 Cl
compound: <missing>
formula_title: <missing>
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beta: 90
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pub_title:
 Tugtupite: High-temperature structures obtained from in situ synchrotron
 diffraction and Rietveld refinements
 T = 516 C

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formula: Al Be Si4 O12 Na4 Cl
compound: <missing>
formula_title: <missing>
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beta: 90
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pub_title:
 Tugtupite: High-temperature structures obtained from in situ synchrotron
 diffraction and Rietveld refinements
 T = 596 C

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formula: Al Be Si4 O12 Na4 Cl
compound: <missing>
formula_title: <missing>
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beta: 90
gamma: 90
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pub_title:
 Tugtupite: High-temperature structures obtained from in situ synchrotron
 diffraction and Rietveld refinements
 T = 644 C

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formula: Al Be Si4 O12 Na4 Cl
compound: <missing>
formula_title: <missing>
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pub_title:
 Tugtupite: High-temperature structures obtained from in situ synchrotron
 diffraction and Rietveld refinements
 T = 709 C

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formula: Al Be Si4 O12 Na4 Cl
compound: <missing>
formula_title: <missing>
a: 8.69349
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alpha: 90
beta: 90
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pub_title:
 Tugtupite: High-temperature structures obtained from in situ synchrotron
 diffraction and Rietveld refinements
 T = 773 C

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formula: Al Be Si4 O12 Na4 Cl
compound: <missing>
formula_title: <missing>
a: 8.69872
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alpha: 90
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pub_title:
 Tugtupite: High-temperature structures obtained from in situ synchrotron
 diffraction and Rietveld refinements
 T = 821 C

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formula: Al Be Si4 O12 Na4 Cl
compound: <missing>
formula_title: <missing>
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beta: 90
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pub_title:
 Tugtupite: High-temperature structures obtained from in situ synchrotron
 diffraction and Rietveld refinements
 T = 869 C

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formula: Al Be Si4 O12 Na4 Cl
compound: <missing>
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beta: 90
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pub_title:
 Tugtupite: High-temperature structures obtained from in situ synchrotron
 diffraction and Rietveld refinements
 T = 902 C

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formula: Al Be Si4 O12 Na4 Cl
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pub_title:
 Tugtupite: High-temperature structures obtained from in situ synchrotron
 diffraction and Rietveld refinements
 T = 934 C

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formula: Al Be Si4 O12 Na4 Cl
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pub_title:
 Tugtupite: High-temperature structures obtained from in situ synchrotron
 diffraction and Rietveld refinements
 T = 982 C

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formula: Sr As O5 H3
compound: <missing>
formula_title: SrHAsO4.H2O
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beta: 90
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pub_title:
 Structure and crystallization behavior of the (Ba,Sr)HAsO4.H2O
 solid-solution in aqueous environments

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formula: (Sr.89 Ba.11) As O5 H3
compound: <missing>
formula_title: (Sr.89Ba.11)HAsO4.H2O
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c: 14.38
alpha: 90
beta: 90
gamma: 90
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pub_title:
 Structure and crystallization behavior of the (Ba,Sr)HAsO4.H2O
 solid-solution in aqueous environments

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formula_title: BaHAsO4.H2O
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beta: 90
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pub_title:
 Structure and crystallization behavior of the (Ba,Sr)HAsO4.H2O
 solid-solution in aqueous environments

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formula: Ca.77 Na.19 Zr.94 Hf.01 V.01 Cr.03 B (Al8.82 Ti.18) O18
compound: Mogok
pub_title: The crystal structure of painite CaZrB[Al9O18] revisited
formula_title: <missing>
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b: 8.724
c: 8.464
alpha: 90
beta: 90
gamma: 120
cell_volume: 557.876
crystal_density: 3.990
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formula: Mg Si O3
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formula_title: <missing>
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c: 3.464
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beta: 117.9
gamma: 90
cell_volume: 135.814
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atoms_sites: ["Mg1", "Mg2", "Si", "O1", "O2", "O3"]
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pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model with O3-O3-O3 angle = 240 and model oxygen radius = 1
 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience

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formula: Mg Si O3
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pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model with O3-O3-O3 angle = 220 and model oxygen radius = 1
 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience

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formula: Mg Si O3
compound: <missing>
formula_title: <missing>
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pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model with O3-O3-O3 angle = 200 and model oxygen radius = 1
 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience

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formula: Mg Si O3
compound: <missing>
formula_title: <missing>
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pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model with O3-O3-O3 angle = 180 and model oxygen radius = 1
 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience

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formula: Mg Si O3
compound: <missing>
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pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model with O3-O3-O3 angle = 160 and model oxygen radius = 1
 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience

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formula: Mg Si O3
compound: <missing>
formula_title: <missing>
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pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model with O3-O3-O3 angle = 140 and model oxygen radius = 1
 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience

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formula: Mg Si O3
compound: <missing>
formula_title: <missing>
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c: 3.464
alpha: 90
beta: 100.0
gamma: 90
cell_volume: 135.770
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pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model with O3-O3-O3 angle = 120 and model oxygen radius = 1
 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience

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formula: Mg Ca Si2 O6
compound: <missing>
formula_title: <missing>
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b: 9.067
c: 5.235
alpha: 90
beta: 108.7
gamma: 90
cell_volume: 438.630
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atoms_sites: ["Mg", "Ca", "Si", "O1", "O2", "O3"]
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pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model diopside after Cameron et al. (1973)
 with O3-O3-O3 angle = 166.4 and model oxygen radius = 1.318

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formula: Mg Ca Si2 O6
compound: <missing>
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alpha: 90
beta: 109.0
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pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model diopside at 1000C after Cameron et al. (1973)
 with O3-O3-O3 angle = 168.5 and model oxygen radius = 1.330

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formula: Mg Ca Si2 O6
compound: <missing>
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alpha: 90
beta: 108.7
gamma: 90
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pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model diopside after Levien and Prewitt (1981)
 with O3-O3-O3 angle = 166.4 and model oxygen radius = 1.319

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formula: Mg Ca Si2 O6
compound: <missing>
formula_title: <missing>
a: 9.607
b: 8.939
c: 5.161
alpha: 90
beta: 108.3
gamma: 90
cell_volume: 420.796
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atoms_sites: ["Mg", "Ca", "Si", "O1", "O2", "O3"]
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pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model diopside at 5.3 GPa after Levien and Prewitt (1981)
 with O3-O3-O3 angle = 163.6 and model oxygen radius = 1.304

qdat:
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formula: Fe Si O3
compound: <missing>
formula_title: <missing>
a: 9.552
b: 8.844
c: 5.106
alpha: 90
beta: 103.8
gamma: 90
cell_volume: 418.893
crystal_density: 4.184
atoms_sites: ["Fe", "Fe", "Si", "O1", "O2", "O3"]
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pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model ferrosilite at 1.87 GPa after Hugh-Jones et al. (1995)
 with O3-O3-O3 angle = 138.3 and model oxygen radius = 1.366

qdat:
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formula: Cr Na Si2 O6
compound: <missing>
formula_title: <missing>
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b: 8.944
c: 5.164
alpha: 90
beta: 109.6
gamma: 90
cell_volume: 420.008
crystal_density: 3.592
atoms_sites: ["Cr", "Na", "Si", "O1", "O2", "O3"]
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pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model kosmochlor after Cameron et al. (1973)
 with O3-O3-O3 angle = 172.0 and model oxygen radius = 1.294

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formula: Cr Na Si2 O6
compound: <missing>
formula_title: <missing>
a: 9.697
b: 8.980
c: 5.184
alpha: 90
beta: 109.7
gamma: 90
cell_volume: 424.997
crystal_density: 3.550
atoms_sites: ["Cr", "Na", "Si", "O1", "O2", "O3"]
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pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model kosmochlor at 600C after Cameron et al. (1973)
 with O3-O3-O3 angle = 172.9 and model oxygen radius = 1.299

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formula: Cr Na Si2 O6
compound: <missing>
formula_title: <missing>
a: 9.650
b: 8.937
c: 5.160
alpha: 90
beta: 109.7
gamma: 90
cell_volume: 418.963
crystal_density: 3.601
atoms_sites: ["Cr", "Na", "Si", "O1", "O2", "O3"]
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pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model kosmochlor after Origlieri et al. (2003)
 with O3-O3-O3 angle = 172.8 and model oxygen radius = 1.292

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formula: Cr Na Si2 O6
compound: <missing>
formula_title: <missing>
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b: 8.738
c: 5.045
alpha: 90
beta: 108.7
gamma: 90
cell_volume: 392.549
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atoms_sites: ["Cr", "Na", "Si", "O1", "O2", "O3"]
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pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model kosmochlor at 9.28 GPa after Origlieri et al. (2003)
 with O3-O3-O3 angle = 166.1 and model oxygen radius = 1.271

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formula: Al Li Si2 O6
compound: <missing>
formula_title: <missing>
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c: 5.033
alpha: 90
beta: 112.1
gamma: 90
cell_volume: 389.014
crystal_density: 3.177
atoms_sites: ["Al", "Li", "Si", "O1", "O2", "O3"]
atoms_x: AAAAAAAAAAAQzhIAECkIAOBZFgDgWRYA
atoms_y: +PI3AEBCDwAIFgUACBYFAEBCDwCARP//
atoms_z: QEIPAEBCDwAwhhIAUOsKADCZEwDghwYA
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pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model spodumene after Cameron et al. (1973)
 with O3-O3-O3 angle = 189.5 and model oxygen radius = 1.263

qdat:
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formula: Al Li Si2 O6
compound: <missing>
formula_title: <missing>
a: 9.589
b: 8.766
c: 5.061
alpha: 90
beta: 111.7
gamma: 90
cell_volume: 395.265
crystal_density: 3.127
atoms_sites: ["Al", "Li", "Si", "O1", "O2", "O3"]
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pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model spodumene at 760C after Cameron et al. (1973)
 with O3-O3-O3 angle = 186.6 and model oxygen radius = 1.267

qdat:
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formula: Al Li Si2 O6
compound: <missing>
formula_title: <missing>
a: 9.572
b: 8.715
c: 5.032
alpha: 90
beta: 112.1
gamma: 90
cell_volume: 388.928
crystal_density: 3.178
atoms_sites: ["Al", "Li", "Si", "O1", "O2", "O3"]
atoms_x: AAAAAAAAAAAQzhIAECkIAHBbFgBwWxYA
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atoms_aniso_u23: 0
pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model spodumene after Arlt and Angel (2003)
 with O3-O3-O3 angle = 189.9 and model oxygen radius = 1.263

qdat:
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formula: Al Li Si2 O6
compound: <missing>
formula_title: <missing>
a: 9.503
b: 8.655
c: 4.997
alpha: 90
beta: 112.1
gamma: 90
cell_volume: 380.799
crystal_density: 3.246
atoms_sites: ["Al", "Li", "Si", "O1", "O2", "O3"]
atoms_x: AAAAAAAAAAAQzhIAoCoIAOBZFgDgWRYA
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pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model spodumene at 3.164 GPa after Arlt and Angel (2003)
 with O3-O3-O3 angle = 189.5 and model oxygen radius = 1.254

qdat:
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formula: Fe Li Si2 O6
compound: <missing>
formula_title: <missing>
a: 9.695
b: 8.919
c: 5.149
alpha: 90
beta: 110.9
gamma: 90
cell_volume: 415.938
crystal_density: 3.433
atoms_sites: ["Fe", "Li", "Si", "O1", "O2", "O3"]
atoms_x: AAAAAAAAAACAzBIAwC0IAMBWFgDAVhYA
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atoms_aniso_u23: 0
pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model lithium iron px after Redhammer et al. (2001)
 with O3-O3-O3 angle = 180.8 and model oxygen radius = 1.287

qdat:
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formula: Ga Li Si2 O6
compound: <missing>
formula_title: <missing>
a: 9.601
b: 8.839
c: 5.103
alpha: 90
beta: 110.7
gamma: 90
cell_volume: 405.101
crystal_density: 3.752
atoms_sites: ["Ga", "Li", "Si", "O1", "O2", "O3"]
atoms_x: AAAAAAAAAACAzBIAwC0IAMBWFgDAVhYA
atoms_y: +PI3AEBCDwAIFgUACBYFAEBCDwCQAQAA
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model lilthium gallium px after Sato et al. (1994)
 with O3-O3-O3 angle = 179.9 and model oxygen radius = 1.276

qdat:
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formula: V Li Si2 O6
compound: <missing>
formula_title: <missing>
a: 9.648
b: 8.898
c: 5.137
alpha: 90
beta: 110.5
gamma: 90
cell_volume: 413.073
crystal_density: 3.378
atoms_sites: ["V", "Li", "Si", "O1", "O2", "O3"]
atoms_x: AAAAAAAAAACAzBIAwC0IAMBWFgDAVhYA
atoms_y: +PI3AEBCDwAIFgUACBYFAEBCDwCAJQAA
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model lithium vanadium px after Satto et al. (1997)
 with O3-O3-O3 angle = 178.1 and model oxygen radius = 1.284

qdat:
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formula: Sc Li Si2 O6
compound: <missing>
formula_title: <missing>
a: 9.838
b: 9.092
c: 5.249
alpha: 90
beta: 110.1
gamma: 90
cell_volume: 440.912
crystal_density: 3.074
atoms_sites: ["Sc", "Li", "Si", "O1", "O2", "O3"]
atoms_x: AAAAAAAAAACAzBIAMCwIAFBYFgBQWBYA
atoms_y: +PI3AEBCDwAIFgUACBYFAEBCDwDwVQAA
atoms_z: QEIPAEBCDwCwNBEAkFsKAPAoFADg5AMA
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atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model lithium scandium px after Hawthorne and Grundy (1977)
 with O3-O3-O3 angle = 175.6 and model oxygen radius = 1.313

qdat:
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formula: Al Na Si2 O6
compound: <missing>
formula_title: <missing>
a: 9.527
b: 8.810
c: 5.087
alpha: 90
beta: 110.0
gamma: 90
cell_volume: 401.217
crystal_density: 3.346
atoms_sites: ["Al", "Na", "Si", "O1", "O2", "O3"]
atoms_x: AAAAAAAAAACAzBIAMCwIAFBYFgBQWBYA
atoms_y: +PI3AEBCDwAIFgUACBYFAEBCDwCwaAAA
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atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model jadeite after Clark et al. (1969)
 with O3-O3-O3 angle = 174.7 and model oxygen radius = 1.273

qdat:
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formula: Mn Na Si2 O6
compound: <missing>
formula_title: <missing>
a: 9.698
b: 8.973
c: 5.181
alpha: 90
beta: 109.9
gamma: 90
cell_volume: 423.930
crystal_density: 3.605
atoms_sites: ["Mn", "Na", "Si", "O1", "O2", "O3"]
atoms_x: AAAAAAAAAAAQzhIAMCwIAFBYFgBQWBYA
atoms_y: +PI3AEBCDwAIFgUACBYFAEBCDwCgcwAA
atoms_z: QEIPAEBCDwAwDxEAYEoKACA6FABwmwMA
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atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model sodium manganese px after Ohashi et al. (1987)
 with O3-O3-O3 angle = 174.1 and model oxygen radius = 1.297

qdat:
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formula: Fe Na Si2 O6
compound: <missing>
formula_title: <missing>
a: 9.737
b: 9.009
c: 5.201
alpha: 90
beta: 109.9
gamma: 90
cell_volume: 428.992
crystal_density: 3.577
atoms_sites: ["Fe", "Na", "Si", "O1", "O2", "O3"]
atoms_x: AAAAAAAAAAAQzhIAMCwIAFBYFgBQWBYA
atoms_y: +PI3AEBCDwAIFgUACBYFAEBCDwDAdgAA
atoms_z: QEIPAEBCDwCgDREA0EgKALA7FAAwlQMA
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atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model acmite after Cameron et al. (1973)
 with O3-O3-O3 angle = 174.0 and model oxygen radius = 1.302

qdat:
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formula: Ti Na Si2 O6
compound: <missing>
formula_title: <missing>
a: 9.791
b: 9.060
c: 5.231
alpha: 90
beta: 109.9
gamma: 90
cell_volume: 436.316
crystal_density: 3.395
atoms_sites: ["Ti", "Na", "Si", "O1", "O2", "O3"]
atoms_x: AAAAAAAAAAAQzhIAMCwIAFBYFgBQWBYA
atoms_y: +PI3AEBCDwAIFgUACBYFAEBCDwDAdgAA
atoms_z: QEIPAEBCDwAQDBEA0EgKALA7FACgkwMA
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model sodium titanium px after Ohashi et al. (1982)
 with O3-O3-O3 angle = 173.9 and model oxygen radius = 1.310

qdat:
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formula: Sc Na Si2 O6
compound: <missing>
formula_title: <missing>
a: 9.929
b: 9.189
c: 5.305
alpha: 90
beta: 109.8
gamma: 90
cell_volume: 455.401
crystal_density: 3.210
atoms_sites: ["Sc", "Na", "Si", "O1", "O2", "O3"]
atoms_x: AAAAAAAAAAAQzhIAMCwIAFBYFgBQWBYA
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atoms_aniso_u23: 0
pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model sodium scandium px after Ohashi et al. (1994A)
 with O3-O3-O3 angle = 173.7 and model oxygen radius = 1.328

qdat:
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formula: V Na Si2 O6
compound: <missing>
formula_title: <missing>
a: 9.712
b: 8.992
c: 5.192
alpha: 90
beta: 109.7
gamma: 90
cell_volume: 426.881
crystal_density: 3.518
atoms_sites: ["V", "Na", "Si", "O1", "O2", "O3"]
atoms_x: AAAAAAAAAAAQzhIAMCwIAFBYFgBQWBYA
atoms_y: +PI3AEBCDwAIFgUACBYFAEBCDwCAiQAA
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model sodium vanadium px
 with O3-O3-O3 angle = 173.0 and model oxygen radius = 1.300

qdat:
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formula: Ga Na Si2 O6
compound: <missing>
formula_title: <missing>
a: 9.640
b: 8.928
c: 5.155
alpha: 90
beta: 109.7
gamma: 90
cell_volume: 417.702
crystal_density: 3.894
atoms_sites: ["Ga", "Na", "Si", "O1", "O2", "O3"]
atoms_x: AAAAAAAAAAAQzhIAoCoIAOBZFgDgWRYA
atoms_y: +PI3AEBCDwAIFgUACBYFAEBCDwDAjwAA
atoms_z: QEIPAEBCDwDQ7BAAwDoKAMBJFAAgVQMA
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atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model sodium gallium px after Ohashi et al. (1995)
 with O3-O3-O3 angle = 172.7 and model oxygen radius = 1.291

qdat:
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formula: In Na Si2 O6
compound: <missing>
formula_title: <missing>
a: 9.967
b: 9.241
c: 5.335
alpha: 90
beta: 109.4
gamma: 90
cell_volume: 463.481
crystal_density: 4.156
atoms_sites: ["In", "Na", "Si", "O1", "O2", "O3"]
atoms_x: AAAAAAAAAAAQzhIAoCoIAOBZFgDgWRYA
atoms_y: +PI3AEBCDwAIFgUACBYFAEBCDwCQsAAA
atoms_z: QEIPAEBCDwDAxRAAkCkKAPBaFAAABwMA
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atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model sodium indium px after Ohashi et al. (1990)
 with O3-O3-O3 angle = 171.0 and model oxygen radius = 1.338

qdat:
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formula: Ni Ca Si2 O6
compound: <missing>
formula_title: <missing>
a: 9.724
b: 9.043
c: 5.221
alpha: 90
beta: 108.5
gamma: 90
cell_volume: 435.379
crystal_density: 3.828
atoms_sites: ["Ni", "Ca", "Si", "O1", "O2", "O3"]
atoms_x: AAAAAAAAAAAw0RIA8CUIAJBeFgCQXhYA
atoms_y: +PI3AEBCDwAIFgUACBYFAEBCDwDAJQEA
atoms_z: QEIPAEBCDwCQNxAA8OcJAJCcFACg6gEA
atoms_occupancy: 0
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atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model calcium nickel px after Ghose et al. (1987)
 with O3-O3-O3 angle = 165.2 and model oxygen radius = 1.316

qdat:
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formula: Co Ca Si2 O6
compound: <missing>
formula_title: <missing>
a: 9.785
b: 9.100
c: 5.254
alpha: 90
beta: 108.5
gamma: 90
cell_volume: 443.659
crystal_density: 3.760
atoms_sites: ["Co", "Ca", "Si", "O1", "O2", "O3"]
atoms_x: AAAAAAAAAAAw0RIAYCQIACBgFgAgYBYA
atoms_y: +PI3AEBCDwAIFgUACBYFAEBCDwBQJwEA
atoms_z: QEIPAEBCDwBwNBAAYOYJACCeFABg5AEA
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model calcium cobalt px after Ghose et al. (1987)
 with O3-O3-O3 angle = 165.1 and model oxygen radius = 1.325

qdat:
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formula: Fe Ca Si2 O6
compound: <missing>
formula_title: <missing>
a: 9.828
b: 9.142
c: 5.278
alpha: 90
beta: 108.4
gamma: 90
cell_volume: 449.972
crystal_density: 3.662
atoms_sites: ["Fe", "Ca", "Si", "O1", "O2", "O3"]
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atoms_aniso_u23: 0
pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model hedenbergite after Zhang et al. (1997)
 with O3-O3-O3 angle = 164.4 and model oxygen radius = 1.332

qdat:
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formula: Mn Ca Si2 O6
compound: <missing>
formula_title: <missing>
a: 9.940
b: 9.248
c: 5.339
alpha: 90
beta: 108.3
gamma: 90
cell_volume: 465.967
crystal_density: 3.523
atoms_sites: ["Mn", "Ca", "Si", "O1", "O2", "O3"]
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pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model johannsenite after Freed and Peacor (1967)
 with O3-O3-O3 angle = 163.8 and model oxygen radius = 1.348

qdat:
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formula: Zn Si O3
compound: <missing>
formula_title: <missing>
a: 9.755
b: 9.083
c: 5.244
alpha: 90
beta: 107.9
gamma: 90
cell_volume: 442.152
crystal_density: 4.251
atoms_sites: ["Zn", "Zn", "Si", "O1", "O2", "O3"]
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pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model zinc px after Morimoto et al. (1975)
 with O3-O3-O3 angle = 161.3 and model oxygen radius = 1.329

qdat:
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formula: Mg Si O3
compound: <missing>
formula_title: <missing>
a: 6.928
b: 6
c: 3.464
alpha: 90
beta: 109.47
gamma: 90
cell_volume: 135.758
crystal_density: 9.823
atoms_sites: ["Mg", "Mg", "SiA", "SiB", "O1A", "O2A", "O3A", "O1B", "O2B", "O3B"]
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atoms_aniso_u23: 0
pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model low clinopx, closest-packed, ABABCACABCBC, with
 O3A-O3A-O3A angle = 240, O3B-O3B-O3B angle = 120, and model oxygen radius = 1

qdat:
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formula: Mg Si O3
compound: <missing>
formula_title: <missing>
a: 7.559
b: 6.928
c: 4
alpha: 90
beta: 105.3
gamma: 90
cell_volume: 202.051
crystal_density: 6.600
atoms_sites: ["Mg", "Mg", "SiA", "SiB", "O1A", "O2A", "O3A", "O1B", "O2B", "O3B"]
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pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model low clinopx with
 O3A-O3A-O3A angle = 180, O3B-O3B-O3B angle = 120, and model oxygen radius = 1

qdat:
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formula: Mg Si O3
compound: <missing>
formula_title: <missing>
a: 9.725
b: 8.872
c: 5.122
alpha: 90
beta: 108.9
gamma: 90
cell_volume: 418.101
crystal_density: 3.190
atoms_sites: ["Mg", "Mg", "SiA", "SiB", "O1A", "O2A", "O3A", "O1B", "O2B", "O3B"]
atoms_x: 8BQPAPAUDwBAigMAgDoiABDt+P/wEgcA8BIHAPAWFwAQ8iUAEPIlAA==
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pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model low clinoenstatite after Pannhorst (1984) with
 O3A-O3A-O3A angle = 202.8, O3B-O3B-O3B angle = 138.1, and model oxygen radius = 1.306

qdat:
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formula: Mg Si O3
compound: <missing>
formula_title: <missing>
a: 9.764
b: 8.953
c: 5.169
alpha: 90
beta: 108.8
gamma: 90
cell_volume: 427.752
crystal_density: 3.118
atoms_sites: ["Mg", "Mg", "SiA", "SiB", "O1A", "O2A", "O3A", "O1B", "O2B", "O3B"]
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pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model low clinoenstatite at 700C after Pannhorst (1984) with
 O3A-O3A-O3A angle = 197.1, O3B-O3B-O3B angle = 141.6, and model oxygen radius = 1.307

qdat:
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formula: Al Li Si2 O6
compound: <missing>
formula_title: <missing>
a: 9.402
b: 8.587
c: 4.958
alpha: 90
beta: 110.2
gamma: 90
cell_volume: 375.664
crystal_density: 3.290
atoms_sites: ["Al", "Li", "SiA", "SiB", "O1A", "O2A", "O3A", "O1B", "O2B", "O3B"]
atoms_x: cDoPAHA6DwAQkgMAYB4iAFDa+P+wJQcAsCUHADBPFwDQuSUA0LklAA==
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model low clinospodumene at P = 3.342 GPa after Arlt and Angel (2000) with
 O3A-O3A-O3A angle = 203.2, O3B-O3B-O3B angle = 152.5, and model oxygen radius = 1.265

qdat:
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formula: Al Li Si2 O6
compound: <missing>
formula_title: <missing>
a: 9.292
b: 8.459
c: 4.884
alpha: 90
beta: 109.6
gamma: 90
cell_volume: 361.644
crystal_density: 3.418
atoms_sites: ["Al", "Li", "SiA", "SiB", "O1A", "O2A", "O3A", "O1B", "O2B", "O3B"]
atoms_x: 0CoPANAqDwAQkgMAAC4iAODb+P8gJAcAICQHABAzFwDw1SUA8NUlAA==
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pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model low clinospodumene at P = 8.835 GPa after Arlt and Angel (2000) with
 O3A-O3A-O3A angle = 206.4, O3B-O3B-O3B angle = 143.5, and model oxygen radius = 1.254

qdat:
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formula: Mg Si O3
compound: <missing>
formula_title: <missing>
a: 14.580
b: 6.928
c: 4
alpha: 90
beta: 90
gamma: 90
cell_volume: 404.041
crystal_density: 6.601
atoms_sites: ["Mg", "Mg", "SiA", "SiB", "O1A", "O2A", "O3A", "O1B", "O2B", "O3B"]
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atoms_aniso_u23: 0
pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model orthopx with
 O3A-O3A-O3A angle = 180, O3B-O3B-O3B angle = 120, and model oxygen radius = 1
 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience

qdat:
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formula: Mg Si O3
compound: <missing>
formula_title: <missing>
a: 14.074
b: 6.928
c: 4
alpha: 90
beta: 90
gamma: 90
cell_volume: 390.019
crystal_density: 6.839
atoms_sites: ["Mg", "Mg", "SiA", "SiB", "O1A", "O2A", "O3A", "O1B", "O2B", "O3B"]
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pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model orthopx with
 O3A-O3A-O3A angle = 180, O3B-O3B-O3B angle = 180, and model oxygen radius = 1
 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience

qdat:
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formula: Mg Si O3
compound: <missing>
formula_title: <missing>
a: 18.363
b: 8.867
c: 5.119
alpha: 90
beta: 90
gamma: 90
cell_volume: 833.500
crystal_density: 3.200
atoms_sites: ["Mg", "Mg", "SiA", "SiB", "O1A", "O2A", "O3A", "O1B", "O2B", "O3B"]
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atoms_y: q7AoAICEHgBVWBQAVVgUAFVYFACAhB4A8J0NAFVYFACAhB4AUP4LAA==
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atoms_aniso_u23: 0
pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model orthoenstatite after Yang and Ghose (1995) with
 O3A-O3A-O3A angle = 158.9, O3B-O3B-O3B angle = 139.3, and model oxygen radius = 1.302

qdat:
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formula: Mg Si O3
compound: <missing>
formula_title: <missing>
a: 18.535
b: 9.024
c: 5.210
alpha: 90
beta: 90
gamma: 90
cell_volume: 871.424
crystal_density: 3.061
atoms_sites: ["Mg", "Mg", "SiA", "SiB", "O1A", "O2A", "O3A", "O1B", "O2B", "O3B"]
atoms_x: cNgWAHDYFgBgBxEAcLQcAAC4CwCAzBIAgMwSADAmIgDQ4hoA0OIaAA==
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atoms_aniso_u23: 0
pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model orthoenstatite at 1360 K after Yang and Ghose (1995) with
 O3A-O3A-O3A angle = 163.0, O3B-O3B-O3B angle = 149.5, and model oxygen radius = 1.317

qdat:
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formula: Mg Si O3
compound: <missing>
formula_title: <missing>
a: 18.363
b: 8.864
c: 5.118
alpha: 90
beta: 90
gamma: 90
cell_volume: 833.055
crystal_density: 3.202
atoms_sites: ["Mg", "Mg", "SiA", "SiB", "O1A", "O2A", "O3A", "O1B", "O2B", "O3B"]
atoms_x: gM0WAIDNFgDQBREAgKkcAJC5CwDwyhIA8MoSAPA4IgAQ0BoAENAaAA==
atoms_y: q7AoAICEHgBVWBQAVVgUAFVYFACAhB4A0JoNAFVYFACAhB4AgPYLAA==
atoms_z: sKc0ADAjFgBAGgUAgBIxAEAaBQBgywEAAIo0AIASMQAAeyoAcBolAA==
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pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model orthoenstatite after Hugh-Jones and Angel (1994) with
 O3A-O3A-O3A angle = 158.7, O3B-O3B-O3B angle = 139.0, and model oxygen radius = 1.302

qdat:
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formula: Mg Si O3
compound: <missing>
formula_title: <missing>
a: 18.027
b: 8.683
c: 5.013
alpha: 90
beta: 90
gamma: 90
cell_volume: 784.677
crystal_density: 3.399
atoms_sites: ["Mg", "Mg", "SiA", "SiB", "O1A", "O2A", "O3A", "O1B", "O2B", "O3B"]
atoms_x: 0MgWANDIFgDQBREAYKYcACC7CwBgyRIAYMkSADA/IgDQyRoA0MkaAA==
atoms_y: q7AoAICEHgBVWBQAVVgUAFVYFACAhB4AIJYNAFVYFACAhB4AsLwLAA==
atoms_z: 4G00AGDpFQBA6AQAUEwxAEDoBAAAkAEAIFs0AFBMMQAwQSoAoI8lAA==
atoms_occupancy: 0
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atoms_aniso_label: "<missing>"
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atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model orthoenstatite at 8.10 GPa after Hugh-Jones and Angel (1994) with
 O3A-O3A-O3A angle = 158.5, O3B-O3B-O3B angle = 136.4, and model oxygen radius = 1.276

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formula: Mg Si O3
compound: <missing>
formula_title: <missing>
a: 7.037
b: 6.928
c: 4
alpha: 90
beta: 90
gamma: 90
cell_volume: 195.009
crystal_density: 6.839
atoms_sites: ["Mg", "Mg", "Si", "O1", "O2", "O3"]
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pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model protopyroxene with O3-O3-O3 angle = 180 and model oxygen radius = 1
 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience

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formula: Mg Si O3
compound: <missing>
formula_title: <missing>
a: 9.268
b: 9.102
c: 5.255
alpha: 90
beta: 90
gamma: 90
cell_volume: 443.298
crystal_density: 3.008
atoms_sites: ["Mg", "Mg", "Si", "O1", "O2", "O3"]
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pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model protoenstatite at 1360 K after Yang and Ghose (1995)
 with O3-O3-O3 angle = 168.4 and model oxygen radius = 1.321
 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience

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formula: Mg Si O3
compound: <missing>
formula_title: <missing>
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b: 9.026
c: 5.211
alpha: 90
beta: 90
gamma: 90
cell_volume: 432.670
crystal_density: 3.082
atoms_sites: ["Mg", "Mg", "Si", "O1", "O2", "O3"]
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atoms_aniso_u23: 0
pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model protopyroxene after Yang et al. (1999)
 with O3-O3-O3 angle = 166.2 and model oxygen radius = 1.312
 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience

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formula: Mg Si O3
compound: <missing>
formula_title: <missing>
a: 9.154
b: 8.981
c: 5.185
alpha: 90
beta: 90
gamma: 90
cell_volume: 426.270
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pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model protopyroxene after Yang et al. (1999)
 with O3-O3-O3 angle = 165.9 and model oxygen radius = 1.306
 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience

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formula: Mg Si O3
compound: <missing>
formula_title: <missing>
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b: 6
c: 3.464
alpha: 90
beta: 90
gamma: 90
cell_volume: 135.761
crystal_density: 9.823
atoms_sites: ["Mg", "Mg", "SiA", "SiB", "O1A", "O2A", "O3A", "O1B", "O2B", "O3B"]
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pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model hi-P protopx with
 O3A-O3A-O3A angle = 120, O3B-O3B-O3B angle = 240, and model oxygen radius = 1
 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience

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formula: Mg Si O3
compound: <missing>
formula_title: <missing>
a: 9.127
b: 8.877
c: 5.125
alpha: 90
beta: 90
gamma: 90
cell_volume: 415.229
crystal_density: 3.212
atoms_sites: ["Mg", "Mg", "SiA", "SiB", "O1A", "O2A", "O3A", "O1B", "O2B", "O3B"]
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pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model hi-P protopx at 2.50 GPa after Yang et al. (1999) with
 O3A-O3A-O3A angle = 154.0, O3B-O3B-O3B angle = 212.1, and model oxygen radius = 1.315
 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience

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formula: Mg Si O3
compound: <missing>
formula_title: <missing>
a: 9.002
b: 8.698
c: 5.022
alpha: 90
beta: 90
gamma: 90
cell_volume: 393.220
crystal_density: 3.391
atoms_sites: ["Mg", "Mg", "SiA", "SiB", "O1A", "O2A", "O3A", "O1B", "O2B", "O3B"]
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pub_title:
 Model pyroxenes II: Structural variation as a function of tetrahedral rotation
 model hi-P protopx at 9.98 GPa after Yang et al. (1999) with
 O3A-O3A-O3A angle = 147.8, O3B-O3B-O3B angle = 220.8, and model oxygen radius = 1.307
 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience

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formula: (Ca4.32 Mn.68) P3 O12 F
compound: <missing>
formula_title: <missing>
a: 9.3429
b: 9.3429
c: 6.8110
alpha: 90
beta: 90
gamma: 120
cell_volume: 514.879
crystal_density: 3.318
atoms_sites: ["Ca1", "Mn1", "Ca2", "Mn2", "P", "O1", "O2", "O3", "F"]
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atoms_u_iso: sMwAALDMAADAwQAAwMEAAHCUAABw+AAAAMIBACCsAQCQ3AEA
atoms_aniso_label: ["Ca1", "Mn1", "Ca2", "Mn2", "P", "O1", "O2", "O3", "F"]
atoms_aniso_u11: ENYAABDWAAAw2QAAMNkAADCOAACgOwEAAJYAABBHAwAAEwEA
atoms_aniso_u22: ENYAABDWAADAwQAAwMEAAHB7AABghgAAoNcAAGCAAQAAEwEA
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pub_title:
 Mn-rich fluorapatite from Autria: Crystal structure, chemical analysis, and
 spectroscopic investigations

qdat:
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formula: Ba.94 (Si3.04 Al1.96) O13.54 H7.08
compound: <missing>
formula_title: <missing>
a: 9.5909
b: 9.5909
c: 6.5339
alpha: 90
beta: 90
gamma: 90
cell_volume: 601.023
crystal_density: 2.714
atoms_sites: ["Ba1", "Ba2", "SiT1", "AlT1", "SiT2", "AlT2", "O1", "O23", "O45", "Wat1", "Wat2"]
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atoms_aniso_u23: 0
pub_title:
 Isothermal equation of state and compressional behavior of tetragonal edingtonite
 Sample at P = 0.0001 GPa in air

qdat:
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formula: Ba.91 (Si3.04 Al1.96) O13.32 H6.64
compound: <missing>
formula_title: <missing>
a: 9.5909
b: 9.5909
c: 6.5339
alpha: 90
beta: 90
gamma: 90
cell_volume: 601.023
crystal_density: 2.669
atoms_sites: ["Ba1", "Ba2", "SiT1", "AlT1", "SiT2", "AlT2", "O1", "O23", "O45", "Wat1", "Wat2"]
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pub_title:
 Isothermal equation of state and compressional behavior of tetragonal edingtonite
 Sample at P = 0.0001 GPa in diamond cell

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formula: Ba.88 (Si3.04 Al1.96) O13.32 H6.64
compound: <missing>
formula_title: <missing>
a: 9.4669
b: 9.4669
c: 6.4765
alpha: 90
beta: 90
gamma: 90
cell_volume: 580.438
crystal_density: 2.740
atoms_sites: ["Ba1", "Ba2", "SiT1", "AlT1", "SiT2", "AlT2", "O1", "O23", "O45", "Wat1", "Wat2"]
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pub_title:
 Isothermal equation of state and compressional behavior of tetragonal edingtonite
 Sample at P = 2.285 GPa

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formula: Ba.89 (Si3.04 Al1.96) O13.32 H6.64
compound: <missing>
formula_title: <missing>
a: 9.3466
b: 9.3466
c: 6.42705
alpha: 90
beta: 90
gamma: 90
cell_volume: 561.460
crystal_density: 2.841
atoms_sites: ["Ba1", "SiT1", "AlT1", "SiT2", "AlT2", "O1", "O23", "O45", "Wat1", "Wat2"]
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pub_title:
 Isothermal equation of state and compressional behavior of tetragonal edingtonite
 Sample at P = 4.611 GPa

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formula: Na2 Mg6 Si8 O24 H2
compound: <missing>
pub_title: Synthesis and crystal-chemistry of Na(NaMg)Mg5Si8O22(OH)2, a P2_1/m amphibole
formula_title: Na(NaMg)Mg5Si8O22(OH)2
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b: 17.938
c: 5.268
alpha: 90
beta: 102.50
gamma: 90
cell_volume: 893.882
crystal_density: 2.982
atoms_sites:
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pub_title:
 A single-crystal study on the pressure behavior of phlogopite
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pub_title:
 A single-crystal study on the pressure behavior of phlogopite
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pub_title:
 A single-crystal study on the pressure behavior of phlogopite
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pub_title:
 A single-crystal study on the pressure behavior of phlogopite
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pub_title:
 A single-crystal study on the pressure behavior of phlogopite
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pub_title:
 The atomic structure of bakerite and its relationship to datolite
 Sample: #45837, single crystal data

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pub_title:
 The atomic structure of bakerite and its relationship to datolite
 Sample: Refinement of the conventional X-ray data for sample #92735

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pub_title:
 The atomic structure of bakerite and its relationship to datolite
 Sample: Refinement of the synchrotron data for sample #92735

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pub_title:
 The atomic structure of bakerite and its relationship to datolite
 Sample: Refinement of the neutron data (RT) for sample #92735

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pub_title:
 The atomic structure of bakerite and its relationship to datolite
 Sample: Refinement of the neutron data (LT) for sample #92735

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pub_title: The atomic structure of bakerite and its relationship to datolite Sample: Combined refinement
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formula_title: <missing>
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pub_title:
 Ferri-ottoliniite and ferriwhittakerite, two new end-members of the new
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pub_title:
 Ferri-ottoliniite and ferriwhittakerite, two new end-members of the new
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formula: Sb2 S3
compound: <missing>
formula_title: <missing>
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alpha: 90
beta: 90
gamma: 90
cell_volume: 484.982
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pub_title:
 Structural variations induced by difference of the inert pair effect
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formula: Sb2 S3
compound: <missing>
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pub_title:
 Structural variations induced by difference of the inert pair effect
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compound: <missing>
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pub_title:
 Structural variations induced by difference of the inert pair effect
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pub_title:
 Structural variations induced by difference of the inert pair effect
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pub_title:
 Structural variations induced by difference of the inert pair effect
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formula: (Sb1.636 Bi.364) S3
compound: <missing>
formula_title: <missing>
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alpha: 90
beta: 90
gamma: 90
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pub_title:
 Structural variations induced by difference of the inert pair effect
 in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3
 Sample: Sb1.637Bi.363S3

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compound: <missing>
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alpha: 90
beta: 90
gamma: 90
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pub_title:
 Structural variations induced by difference of the inert pair effect
 in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3
 Sample: Sb1.483Bi.517S3

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pub_title:
 Structural variations induced by difference of the inert pair effect
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 Sample: Sb1.463Bi.537S3

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pub_title:
 Structural variations induced by difference of the inert pair effect
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 Sample: Sb1.426Bi.574S3

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pub_title:
 Structural variations induced by difference of the inert pair effect
 in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3
 Sample: Sb.910Bi1.090S3

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pub_title:
 Structural variations induced by difference of the inert pair effect
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 Sample: Sb0.387Bi1.613S3

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compound: <missing>
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pub_title:
 Structural variations induced by difference of the inert pair effect
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 Sample: Sb0.362Bi1.638S3

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pub_title:
 Structural variations induced by difference of the inert pair effect
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 Sample: Sb0.320Bi1.680S3

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pub_title:
 Structural variations induced by difference of the inert pair effect
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 Sample #1

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pub_title:
 Structural variations induced by difference of the inert pair effect
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pub_title:
 Structural variations induced by difference of the inert pair effect
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formula: Mn O2
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formula_title: <missing>
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b: 2.8638
c: 4.5219
alpha: 90
beta: 90
gamma: 90
cell_volume: 120.089
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pub_title:
 Neutron and synchrotron X-ray diffraction study of the structures
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pub_title:
 Neutron and synchrotron X-ray diffraction study of the structures
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formula: U3 Sr Se2 O18 H8
compound: <missing>
formula_title: Sr[(UO2)3(SeO3)2O2].4H2O
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b: 7.0637
c: 7.1084
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pub_title:
 Hydrothermal synthesis and crystal chemistry of the new strontium uranyl selenites,
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formula: U Sr Se2 O8
compound: <missing>
formula_title: Sr[(UO2)(SeO3)2].2H2O
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alpha: 104.698
beta: 93.708
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cell_volume: 388.615
crystal_density: 5.226
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 Hydrothermal synthesis and crystal chemistry of the new strontium uranyl selenites,
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pub_title:
 Study of cation order-disorder in MgAl2O4 spinel by in situ neutron
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pub_title:
 Study of cation order-disorder in MgAl2O4 spinel by in situ neutron
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pub_title:
 Study of cation order-disorder in MgAl2O4 spinel by in situ neutron
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pub_title:
 Study of cation order-disorder in MgAl2O4 spinel by in situ neutron
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pub_title:
 Study of cation order-disorder in MgAl2O4 spinel by in situ neutron
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pub_title:
 Study of cation order-disorder in MgAl2O4 spinel by in situ neutron
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pub_title:
 Study of cation order-disorder in MgAl2O4 spinel by in situ neutron
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pub_title:
 Study of cation order-disorder in MgAl2O4 spinel by in situ neutron
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pub_title:
 Study of cation order-disorder in MgAl2O4 spinel by in situ neutron
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pub_title:
 Study of cation order-disorder in MgAl2O4 spinel by in situ neutron
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pub_title:
 Dehydration and rehydration process in boggsite: an in-situ X-ray single-crystal study
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pub_title:
 Dehydration and rehydration process in boggsite: an in-situ X-ray single-crystal study
 Note: Ca represents an unknown distribution across the Ca sites of
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compound: <missing>
formula_title: <missing>
a: 20.053
b: 23.838
c: 12.850
alpha: 90
beta: 90
gamma: 90
cell_volume: 6142.601
crystal_density: 1.638
pub_title:
 Dehydration and rehydration process in boggsite: an in-situ X-ray single-crystal study
 Note: Ca represents an unknown distribution across the Ca sites of
 [Ca.806,Mg.138,Na.041,K.007,Fe.006,Sr.001]
 Note: Reported occupancies are discrepant with reported formula.
 Sample: BOG-350, T = 350 C

atoms_sites:
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compound: <missing>
formula_title: <missing>
a: 20.041
b: 23.814
c: 12.869
alpha: 90
beta: 90
gamma: 90
cell_volume: 6141.812
crystal_density: 1.638
pub_title:
 Dehydration and rehydration process in boggsite: an in-situ X-ray single-crystal study
 Note: Ca represents an unknown distribution across the Ca sites of
 [Ca.806,Mg.138,Na.041,K.007,Fe.006,Sr.001]
 Note: Reported occupancies are discrepant with reported formula.
 Sample: BOG-500, T = 500 C

atoms_sites:
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compound: <missing>
formula_title: <missing>
a: 20.087
b: 23.800
c: 12.805
alpha: 90
beta: 90
gamma: 90
cell_volume: 6121.694
crystal_density: 1.674
pub_title:
 Dehydration and rehydration process in boggsite: an in-situ X-ray single-crystal study
 Note: Ca represents an unknown distribution across the Ca sites of
 [Ca.806,Mg.138,Na.041,K.007,Fe.006,Sr.001]
 Note: Reported occupancies are discrepant with reported formula.
 Sample: BOG-150-R, T = 150 C

atoms_sites:
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formula: (Al2.46 Si9.54) O29.182 H10.364
compound: <missing>
formula_title: <missing>
a: 20.295
b: 23.843
c: 12.802
alpha: 90
beta: 90
gamma: 90
cell_volume: 6194.807
crystal_density: 1.741
pub_title:
 Dehydration and rehydration process in boggsite: an in-situ X-ray single-crystal study
 Note: Ca represents an unknown distribution across the Ca sites of
 [Ca.806,Mg.138,Na.041,K.007,Fe.006,Sr.001]
 Note: Reported occupancies are discrepant with reported formula.
 Sample: BOG-RT-R, T = 25 C

atoms_sites:
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atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

atoms_u_iso:

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formula: Ag Te
compound: <missing>
formula_title: <missing>
a: 8.882
b: 20.100
c: 4.614
alpha: 90
beta: 90
gamma: 90
cell_volume: 823.729
crystal_density: 7.595
atoms_sites: ["Ag1", "Ag2", "Ag3", "Te1", "Te2", "Te3"]
atoms_x: wMYtAEBCDwCQvh8AwOgfAEBCDwBAQg8A
atoms_y: kCEDALCCCQDIAQQAGKIJACAREADIDQIA
atoms_z: 0C8KABBeLQCwqicA8BgGAGBsFQAQ2xQA
atoms_occupancy: 0
atoms_u_iso: ACYCAND7AQAgIwMA0AEBALD+AADgDwEA
atoms_aniso_label: ["Ag1", "Ag2", "Ag3", "Te1", "Te2", "Te3"]
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atoms_aniso_u22: oAMCAJD1AQDQJwMAgAYBAIDtAADg9gAA
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atoms_aniso_u23: 0GsAABByAAAA8/3/sAQAAEDt///QBwAA
pub_title:
 Empressite, AgTe, from the Empress-Josephine Mine, Colorado, USA:
 Composition, physical properties, and determination of the crystal structure

qdat:
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formula: Ca2 Al2.54 Mn.46 Si3 O13 H
compound: <missing>
formula_title: <missing>
a: 8.856
b: 5.6291
c: 10.148
alpha: 90
beta: 115.516
gamma: 90
cell_volume: 456.549
crystal_density: 3.399
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:
 An X-ray Rietveld study of piemontite on the join
 Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis
 Sample: q = 0.5, p = 0.5, Synthesis at P=350 MPa, T=500 C

atoms_sites:
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pub_title:
 An X-ray Rietveld study of piemontite on the join
 Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis
 Sample: q = 0.75, p = 0.75, Synthesis at P=200 MPa, T=500 C

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pub_title:
 An X-ray Rietveld study of piemontite on the join
 Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis
 Sample: q = 0.75, p = 0.75, Synthesis at P=350 MPa, T=500 C

atoms_sites:
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pub_title:
 An X-ray Rietveld study of piemontite on the join
 Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis
 Sample: q = 1.0, p = 1.00, Synthesis at P=200 MPa, T=500 C

atoms_sites:
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pub_title:
 An X-ray Rietveld study of piemontite on the join
 Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis
 Sample: q = 1.0, p = 1.00, Synthesis at P=350 MPa, T=500 C

atoms_sites:
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formula: Ca2 (Al1.96 Mn1.04) Si3 O13 H
compound: <missing>
formula_title: <missing>
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c: 10.1679
alpha: 90
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gamma: 90
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pub_title:
 An X-ray Rietveld study of piemontite on the join
 Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis
 Sample: q = 1.1, p = 1.04, Synthesis at P=200 MPa, T=500 C

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compound: <missing>
formula_title: <missing>
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alpha: 90
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pub_title:
 An X-ray Rietveld study of piemontite on the join
 Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis
 Sample: q = 1.1, p = 1.03, Synthesis at P=350 MPa, T=500 C

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formula: Ca2 (Al1.74 Mn1.26) Si3 O13 H
compound: <missing>
formula_title: <missing>
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c: 10.1802
alpha: 90
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gamma: 90
cell_volume: 463.964
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pub_title:
 An X-ray Rietveld study of piemontite on the join
 Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis
 Sample: q = 1.5, p = 1.26, Synthesis at P=200 MPa, T=500 C

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formula: Ca2 (Al1.74 Mn1.26) Si3 O13 H
compound: <missing>
formula_title: <missing>
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pub_title:
 An X-ray Rietveld study of piemontite on the join
 Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis
 Sample: q = 1.5, p = 1.25, Synthesis at P=350 MPa, T=500 C

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formula: Ca2 (Al1.75 Mn1.25) Si3 O13 H
compound: <missing>
formula_title: <missing>
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b: 5.7039
c: 10.1827
alpha: 90
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gamma: 90
cell_volume: 464.236
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pub_title:
 An X-ray Rietveld study of piemontite on the join
 Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis
 Sample: q = 1.75, p = 1.26, Synthesis at P=200 MPa, T=500 C

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formula: Ca2 (Al1.75 Mn1.25) Si3 O13 H
compound: <missing>
formula_title: <missing>
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b: 5.6949
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alpha: 90
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gamma: 90
cell_volume: 463.312
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pub_title:
 An X-ray Rietveld study of piemontite on the join
 Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis
 Sample: q = 1.75, p = 1.25, Synthesis at P=350 MPa, T=500 C

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formula: Mg2 Na.193 Si1.333 O6 H2
compound: <missing>
formula_title: <missing>
a: 5.3580
b: 9.2810
c: 14.574
alpha: 90.00
beta: 97.08
gamma: 90.00
cell_volume: 719.204
crystal_density: 2.612
atoms_aniso_label: "<missing>"
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pub_title:
 Incorporation of sodium into the chlorite structure: the crystal structure
 of glagolevite, Na(Mg,Al)6[Si3AlO10](OH,O)8

atoms_sites:
["Mg1", "Mg2", "Mg3", "Mg4", "Mg5", "Mg6", "Na1", "Na2", "Na3", "Si1", "Si2", "Si3", "Si4", "Si5", "Si6", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "O16", "O17", "O18", "O-H19", "O-H20", "O-H21", "O-H22", "O-H23", "O-H24"]

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formula: Ca Mg C2 O6
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formula_title: <missing>
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pub_title:
 Cation disorder in dolomite, CaMg(CO3)2, and its influence on the
 aragonite+magnesite - dolomite reaction boundary
 Sample: P = 3 GPa, T = 296 K

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pub_title:
 Cation disorder in dolomite, CaMg(CO3)2, and its influence on the
 aragonite+magnesite - dolomite reaction boundary
 Sample: P = 3 GPa, T = 630 K

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pub_title:
 Cation disorder in dolomite, CaMg(CO3)2, and its influence on the
 aragonite+magnesite - dolomite reaction boundary
 Sample: P = 3 GPa, T = 675 K

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pub_title:
 Cation disorder in dolomite, CaMg(CO3)2, and its influence on the
 aragonite+magnesite - dolomite reaction boundary
 Sample: P = 3 GPa, T = 809 K

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pub_title:
 Cation disorder in dolomite, CaMg(CO3)2, and its influence on the
 aragonite+magnesite - dolomite reaction boundary
 Sample: P = 3 GPa, T = 925 K

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pub_title:
 Cation disorder in dolomite, CaMg(CO3)2, and its influence on the
 aragonite+magnesite - dolomite reaction boundary
 Sample: P = 3 GPa, T = 999 K

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pub_title:
 Cation disorder in dolomite, CaMg(CO3)2, and its influence on the
 aragonite+magnesite - dolomite reaction boundary
 Sample: P = 3 GPa, T = 1039 K

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pub_title:
 Cation disorder in dolomite, CaMg(CO3)2, and its influence on the
 aragonite+magnesite - dolomite reaction boundary
 Sample: P = 3 GPa, T = 1074 K

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pub_title:
 Cation disorder in dolomite, CaMg(CO3)2, and its influence on the
 aragonite+magnesite - dolomite reaction boundary
 Sample: P = 3 GPa, T = 1070 K

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pub_title:
 Cation disorder in dolomite, CaMg(CO3)2, and its influence on the
 aragonite+magnesite - dolomite reaction boundary
 Sample: P = 3 GPa, T = 1106 K

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pub_title:
 Cation disorder in dolomite, CaMg(CO3)2, and its influence on the
 aragonite+magnesite - dolomite reaction boundary
 Sample: P = 3 GPa, T = 1142 K

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pub_title:
 Cation disorder in dolomite, CaMg(CO3)2, and its influence on the
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 Sample: P = 3 GPa, T = 1171 K

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pub_title:
 Cation disorder in dolomite, CaMg(CO3)2, and its influence on the
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 Sample: P = 3 GPa, T = 1205 K

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pub_title:
 Cation disorder in dolomite, CaMg(CO3)2, and its influence on the
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 Sample: P = 3 GPa, T = 1234 K

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pub_title:
 Cation disorder in dolomite, CaMg(CO3)2, and its influence on the
 aragonite+magnesite - dolomite reaction boundary
 Sample: P = 3 GPa, T = 1265 K

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pub_title:
 Cation disorder in dolomite, CaMg(CO3)2, and its influence on the
 aragonite+magnesite - dolomite reaction boundary
 Sample: P = 3 GPa, T = 1292 K

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pub_title:
 Cation disorder in dolomite, CaMg(CO3)2, and its influence on the
 aragonite+magnesite - dolomite reaction boundary
 Sample: P = 3 GPa, T = 1320 K

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pub_title:
 Cation disorder in dolomite, CaMg(CO3)2, and its influence on the
 aragonite+magnesite - dolomite reaction boundary
 Sample: P = 3 GPa, T = 1346 K

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pub_title:
 Cation disorder in dolomite, CaMg(CO3)2, and its influence on the
 aragonite+magnesite - dolomite reaction boundary
 Sample: P = 3 GPa, T = 1362 K

qdat:
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pub_title:
 Cation disorder in dolomite, CaMg(CO3)2, and its influence on the
 aragonite+magnesite - dolomite reaction boundary
 Sample: P = 3 GPa, T = 1394 K

qdat:
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compound: <missing>
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pub_title:
 Cation disorder in dolomite, CaMg(CO3)2, and its influence on the
 aragonite+magnesite - dolomite reaction boundary
 Sample: P = 3 GPa, T = 1400 K

qdat:
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formula: (Ca.5 Mg.5) C O3
compound: <missing>
formula_title: <missing>
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pub_title:
 Cation disorder in dolomite, CaMg(CO3)2, and its influence on the
 aragonite+magnesite - dolomite reaction boundary
 Sample: P = 3 GPa, T = 1443 K

qdat:
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formula: (Ca.5 Mg.5) C O3
compound: <missing>
formula_title: <missing>
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alpha: 90
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atoms_sites: ["Ca", "Mg", "Mg", "Ca", "C", "O"]
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pub_title:
 Cation disorder in dolomite, CaMg(CO3)2, and its influence on the
 aragonite+magnesite - dolomite reaction boundary
 Sample: P = 3 GPa, T = 1466 K

qdat:
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formula: Al.393 Fe.34 Mg.59 Mn.003 Si.002 Cr1.582 V.004 Ni.004 Ti.004 O4
compound: <missing>
formula_title: Magnesiochromite
a: 8.2743
b: 8.2743
c: 8.2743
alpha: 90
beta: 90
gamma: 90
cell_volume: 566.492
crystal_density: 4.480
atoms_sites: ["AlT", "Fe2+T", "Fe3+T", "MgT", "MnT", "SiT", "AlM", "Fe3+M", "CrM", "VM", "NiM", "TiM", "O"]
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pub_title:
 Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites
 Sample: Tro6f, Provenance is Tropoja massif, Sequence is cumulate

qdat:
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formula: Al.406 Fe.396 Mg.643 Mn.006 Cr1.524 Ni.002 Ti.006 O4
compound: <missing>
formula_title: Magnesiochromite
a: 8.2991
b: 8.2991
c: 8.2991
alpha: 90
beta: 90
gamma: 90
cell_volume: 571.601
crystal_density: 4.478
atoms_sites: ["AlT", "Fe2+T", "Fe3+T", "MgT", "MnT", "AlM", "Fe2+M", "Fe3+M", "MgM", "CrM", "NiM", "TiM", "O"]
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pub_title:
 Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites
 Sample: Shb4b, Provenance is Shebenik massif, Sequence is cumulate

qdat:
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formula: Al.552 Fe.481 Mg.586 Mn.007 Cr1.362 Ni.004 Ti.006 O4
compound: <missing>
formula_title: Magnesiochromite
a: 8.2915
b: 8.2915
c: 8.2915
alpha: 90
beta: 90
gamma: 90
cell_volume: 570.032
crystal_density: 4.468
atoms_sites: ["AlT", "Fe2+T", "Fe3+T", "MgT", "MnT", "AlM", "Fe3+M", "MgM", "CrM", "NiM", "TiM", "O"]
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pub_title:
 Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites
 Sample: Tro4f, Provenance is Tropoja massif, Sequence is tectonite

qdat:
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formula: Al.575 Fe.429 Mg.631 Mn.006 Cr1.346 V.004 Ni.002 Ti.006 O4
compound: <missing>
formula_title: Magnesiochromite
a: 8.2864
b: 8.2864
c: 8.2864
alpha: 90
beta: 90
gamma: 90
cell_volume: 568.981
crystal_density: 4.430
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pub_title:
 Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites
 Sample: Tro4j, Provenance is Tropoja massif, Sequence is tectonite

atoms_sites:
["AlT", "Fe2+T", "Fe3+T", "MgT", "MnT", "AlM", "Fe2+M", "Fe3+M", "MgM", "CrM", "VM", "NiM", "TiM", "O"]

qdat:
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formula: Al.364 Fe.467 Mg.597 Mn.008 Cr1.552 V.004 Ti.004 O4
compound: <missing>
formula_title: Magnesiochromite
a: 8.3133
b: 8.3133
c: 8.3133
alpha: 90
beta: 90
gamma: 90
cell_volume: 574.540
crystal_density: 4.531
atoms_sites: ["AlT", "Fe2+T", "Fe3+T", "MgT", "MnT", "AlM", "Fe2+M", "Fe3+M", "MgM", "CrM", "VM", "TiM", "O"]
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pub_title:
 Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites
 Sample: N10a, Provenance is Bulqize, Bulqiza massif, Sequence is tectonite

qdat:
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formula: Al.393 Fe.469 Mg.608 Mn.009 Cr1.5 Ni.002 Ti.006 O4
compound: <missing>
formula_title: Magnesiochromite
a: 8.3091
b: 8.3091
c: 8.3091
alpha: 90
beta: 90
gamma: 90
cell_volume: 573.670
crystal_density: 4.503
atoms_sites: ["AlT", "Fe2+T", "Fe3+T", "MgT", "MnT", "AlM", "Fe3+M", "CrM", "NiM", "TiM", "O"]
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pub_title:
 Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites
 Sample: N7g, Provenance is Bulqize, Bulqiza massif, Sequence is tectonite

qdat:
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formula: Fe.424 Mg.624 Mn.007 Al.368 Cr1.564 Ti.002 O4
compound: <missing>
formula_title: Magnesiochromite
a: 8.3081
b: 8.3081
c: 8.3081
alpha: 90
beta: 90
gamma: 90
cell_volume: 573.463
crystal_density: 4.507
atoms_sites: ["Fe2+T", "Fe3+T", "MgT", "MnT", "AlM", "Fe2+M", "Fe3+M", "MgM", "CrM", "TiM", "O"]
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pub_title:
 Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites
 Sample: Thkv1a, Provenance is Thekna, Bulqiza massif, Sequence is tectonite

qdat:
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formula: Al.387 Fe.402 Mg.632 Mn.006 Cr1.552 V.004 Ti.002 O4
compound: <missing>
formula_title: Magnesiochromite
a: 8.3033
b: 8.3033
c: 8.3033
alpha: 90
beta: 90
gamma: 90
cell_volume: 572.469
crystal_density: 4.492
atoms_sites: ["AlT", "Fe2+T", "Fe3+T", "MgT", "MnT", "AlM", "Fe2+M", "Fe3+M", "MgM", "CrM", "VM", "TiM", "O"]
atoms_x: IKEHACChBwAgoQcAIKEHACChBwCAhB4AgIQeAICEHgCAhB4AgIQeAICEHgCAhB4A2P4PAA==
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites
 Sample: Thkv1w, Provenance is Thekna, Bulqiza massif, Sequence is tectonite

qdat:
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formula: Fe.367 Mg.643 Mn.004 Al.422 Cr1.506 V.002 Ni.004 Ti.004 O4
compound: <missing>
formula_title: Magnesiochromite
a: 8.2793
b: 8.2793
c: 8.2793
alpha: 90
beta: 90
gamma: 90
cell_volume: 567.520
crystal_density: 4.461
atoms_sites: ["Fe2+T", "Fe3+T", "MgT", "MnT", "AlM", "Fe3+M", "MgM", "CrM", "VM", "NiM", "TiM", "O"]
atoms_x: IKEHACChBwAgoQcAIKEHAICEHgCAhB4AgIQeAICEHgCAhB4AgIQeAICEHgC4+w8A
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites
 Sample: Shb2m, Provenance is Shebenik massif, Sequence is tectonite

qdat:
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formula: Fe.378 Mg.637 Mn.006 Si.001 Al.444 Cr1.5 V.004 Ni.004 Ti.002 O4
compound: <missing>
formula_title: Magnesiochromite
a: 8.2902
b: 8.2902
c: 8.2902
alpha: 90
beta: 90
gamma: 90
cell_volume: 569.764
crystal_density: 4.464
atoms_sites: ["Fe2+T", "Fe3+T", "MgT", "MnT", "SiT", "AlM", "Fe3+M", "MgM", "CrM", "VM", "NiM", "TiM", "O"]
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pub_title:
 Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites
 Sample: Shb4f, Provenance is Shebenik massif, Sequence is cumulate

qdat:
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formula: Fe.394 Mg.667 Mn.007 Si.001 Zn.002 Al.378 Cr1.536 V.002 Ni.004 Ti.002 O4
compound: <missing>
formula_title: Magnesiochromite
a: 8.3057
b: 8.3057
c: 8.3057
alpha: 90
beta: 90
gamma: 90
cell_volume: 572.966
crystal_density: 4.481
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pub_title:
 Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites
 Sample: Thkv2w, Provenance is Thekna, Bulqiza massif, Sequence is tectonite

atoms_sites:
["Fe2+T", "Fe3+T", "MgT", "MnT", "SiT", "ZnT", "AlM", "Fe3+M", "MgM", "CrM", "VM", "NiM", "TiM", "O"]

qdat:
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formula: Al.388 Fe.4 Mg.648 Mn.006 Si.001 Cr1.548 V.002 Ti.002 O4
compound: <missing>
formula_title: Magnesiochromite
a: 8.3071
b: 8.3071
c: 8.3071
alpha: 90
beta: 90
gamma: 90
cell_volume: 573.256
crystal_density: 4.486
atoms_x: IKEHACChBwAgoQcAIKEHACChBwAgoQcAgIQeAICEHgCAhB4AgIQeAICEHgCAhB4AgIQeAFgBEAA=
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pub_title:
 Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites
 Sample: N2h, Provenance is Bulqize, Bulqiza massif, Sequence is tectonite

atoms_sites:
["AlT", "Fe2+T", "Fe3+T", "MgT", "MnT", "SiT", "AlM", "Fe2+M", "Fe3+M", "MgM", "CrM", "VM", "TiM", "O"]

qdat:
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formula: Al.438 Fe.384 Mg.682 Mn.006 Si.002 Cr1.474 V.002 Ni.004 Ti.004 O4
compound: <missing>
formula_title: Magnesiochromite
a: 8.3006
b: 8.3006
c: 8.3006
alpha: 90
beta: 90
gamma: 90
cell_volume: 571.911
crystal_density: 4.446
atoms_x: IKEHACChBwAgoQcAIKEHACChBwAgoQcAgIQeAICEHgCAhB4AgIQeAICEHgCAhB4AgIQeAICEHgCAARAA
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pub_title:
 Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites
 Sample: Shkm1i, Provenance is Shkalla, Bulqiza massif, Sequence is tectonite

atoms_sites:
["AlT", "Fe2+T", "Fe3+T", "MgT", "MnT", "SiT", "AlM", "Fe2+M", "Fe3+M", "MgM", "CrM", "VM", "NiM", "TiM", "O"]

qdat:
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formula: Al.451 Fe.414 Mg.646 Mn.007 Cr1.466 Ni.004 Ti.004 O4
compound: <missing>
formula_title: Magnesiochromite
a: 8.2982
b: 8.2982
c: 8.2982
alpha: 90
beta: 90
gamma: 90
cell_volume: 571.415
crystal_density: 4.464
atoms_sites: ["AlT", "Fe2+T", "Fe3+T", "MgT", "MnT", "AlM", "Fe2+M", "Fe3+M", "MgM", "CrM", "NiM", "TiM", "O"]
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pub_title:
 Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites
 Sample: Shkm3g, Provenance is Shkalla, Bulqiza massif, Sequence is tectonite

qdat:
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formula: Al.355 Fe.369 Mg.704 Mn.006 Si.001 Cr1.55 V.002 Ni.004 Ti.004 O4
compound: <missing>
formula_title: Magnesiochromite
a: 8.3101
b: 8.3101
c: 8.3101
alpha: 90
beta: 90
gamma: 90
cell_volume: 573.877
crystal_density: 4.462
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pub_title:
 Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites
 Sample: Ba4c, Provenance is Bater, Bulqiza massif, Sequence is cumulate

atoms_sites:
["AlT", "Fe2+T", "Fe3+T", "MgT", "MnT", "SiT", "AlM", "Fe2+M", "Fe3+M", "MgM", "CrM", "VM", "NiM", "TiM", "O"]

qdat:
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formula: Al1.238 Fe.304 Mg.734 Mn.004 Cr.704 Ni.006 Ti.006 O4
compound: <missing>
formula_title: <missing>
a: 8.1992
b: 8.1992
c: 8.1992
alpha: 90
beta: 90
gamma: 90
cell_volume: 551.207
crystal_density: 4.089
atoms_sites: ["AlT", "Fe2+T", "Fe3+T", "MgT", "MnT", "AlM", "Fe2+M", "Fe3+M", "MgM", "CrM", "NiM", "TiM", "O"]
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pub_title:
 Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites
 Sample: N4x, Provenance is Bulqize, Bulqiza massif, Sequence is tectonite

qdat:
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formula: Al.337 Fe.326 Mg.694 Mn.006 Cr1.606 V.002 Ni.004 Ti.002 O4
compound: <missing>
formula_title: Magnesiochromite
a: 8.3043
b: 8.3043
c: 8.3043
alpha: 90
beta: 90
gamma: 90
cell_volume: 572.676
crystal_density: 4.464
atoms_x: IKEHACChBwAgoQcAIKEHACChBwCAhB4AgIQeAICEHgCAhB4AgIQeAICEHgCAhB4AgIQeALj7DwA=
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pub_title:
 Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites
 Sample: Ba2y, Provenance is Bater, Bulqiza massif, Sequence is cumulate

atoms_sites:
["AlT", "Fe2+T", "Fe3+T", "MgT", "MnT", "AlM", "Fe2+M", "Fe3+M", "MgM", "CrM", "VM", "NiM", "TiM", "O"]

qdat:
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formula: Ca5 P2.928 O13.012 H1.44
compound: <missing>
formula_title: <missing>
a: 9.4234
b: 9.4234
c: 6.8801
alpha: 90
beta: 90
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cell_volume: 529.104
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atoms_sites: ["Ca1", "Ca2", "P", "O1", "O2", "O3", "O4", "H", "OB3"]
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pub_title:
 Accommodation of the carbonate ion in apatite: An FTIR and X-ray structure study
 of crystals synthesized at 2-4 GPa
 Sample: xt372

qdat:
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compound: <missing>
formula_title: <missing>
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alpha: 90
beta: 90
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pub_title:
 Accommodation of the carbonate ion in apatite: An FTIR and X-ray structure study
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 Sample: xt374

qdat:
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compound: <missing>
formula_title: <missing>
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c: 6.8853
alpha: 90
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cell_volume: 535.917
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atoms_sites: ["Ca1", "Ca2", "P", "O1", "O2", "O3", "O4", "C", "OA11", "OA12", "OA2", "OB3"]
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pub_title:
 Accommodation of the carbonate ion in apatite: An FTIR and X-ray structure study
 of crystals synthesized at 2-4 GPa
 Sample: xt371

qdat:
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formula: Ca5 P2.823 O13.514 C.22
compound: <missing>
formula_title: <missing>
a: 9.4817
b: 9.4817
c: 6.8843
alpha: 90
beta: 90
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cell_volume: 535.998
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pub_title:
 Accommodation of the carbonate ion in apatite: An FTIR and X-ray structure study
 of crystals synthesized at 2-4 GPa
 Sample: xt373

qdat:
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formula: Na3 Mg5 Si8 O24 H3
compound: <missing>
formula_title: NaNa2Mg5Si8O21(OH)3
a: 9.883
b: 54.082
c: 5.277
alpha: 90.045
beta: 103.068
gamma: 89.960
cell_volume: 2747.471
crystal_density: 2.909
pub_title:
 The crystal structure of synthetic NaNa2Mg5Si8O21(OH)3, a triclinic C-1
 amphibole with a triple-cell and H excess
 Note: occupancies unreported, so calculated formula has an extra OH

atoms_sites:
["NaM4", "NaM41", "NaM42", "NaA", "NaA1", "MgM1", "MgM2", "MgM3", "MgM11", "MgM12", "MgM21", "MgM22", "MgM31", "SiT1A", "SiT2A", "SiT1B", "SiT2B", "SiT1A1", "SiT2A1", "SiT1A2", "SiT2A2", "SiT1B1", "SiT2B1", "SiT1B2", "SiT2B2", "O1A", "O1B", "O1A1", "O1A2", "O1B1", "O1B2", "O2A", "O2B", "O2A1", "O2A2", "O2B1", "O2B2", "O3", "O31", "O32", "O4A", "O4B", "O4A1", "O4A2", "O4B1", "O4B2", "O5A", "O5B", "O5A1", "O5A2", "O5B1", "O5B2", "O6A", "O6B", "O6A1", "O6A2", "O6B1", "O6B2", "O7", "O71", "O72", "H", "H1", "H2", "HB1", "HA", "HA2"]

atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

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atoms_aniso_label:
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formula: Au Ag Te2
compound: <missing>
formula_title: <missing>
a: 5.124
b: 4.419
c: 7.437
alpha: 90
beta: 89.96
gamma: 90
cell_volume: 168.396
crystal_density: 11.045
atoms_sites: ["Au1", "Au2", "Ag1", "Ag2", "Te1", "Te2"]
atoms_x: AAAAAAAAAACAhB4AgIQeANBPJgCQpQYA
atoms_y: AAAAAAAAAACAhB4AgIQeAAAAAACAhB4A
atoms_z: AAAAAICEHgAAAAAAgIQeAFBQDwBgwg8A
atoms_occupancy: 0
atoms_u_iso: EGwBABCeAQBw2QEA0OIBAOClAQCg0QEA
atoms_aniso_label: ["Au1", "Au2", "Ag1", "Ag2", "Te1", "Te2"]
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pub_title:
 Ordered distribution of Au and Ag in the crystal structure of muthmannite,
 AuAgTe2, a rare telluride from Sacarimb, Western Romania

qdat:
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formula: Ce4.41 Y7.56 Ca2.64 Th.39 (Fe.77 Ti.23) Si6.4 B3 P.6 Na O38 F10 H4
compound: <missing>
formula_title: <missing>
a: 10.7108
b: 10.7108
c: 27.0398
alpha: 90
beta: 90
gamma: 120
cell_volume: 2686.445
crystal_density: 4.814
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 The chemistry and crystal structure of okanoganite-(Y) and
 comparison with vicanite-(Ce)
 Sample: Golden Horn batholith near Washington Pass, Okanogan County

atoms_sites:
["Ce1", "Y1", "Ce2", "Y2", "Ca3", "Y3", "Y4", "Ca4", "Y5", "Th5", "Fe", "Ti", "Si1", "Si2", "B1", "P3", "Si3", "Na", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O-H9", "O10", "O11", "F12", "F13", "F14", "O-H"]

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formula: (Ti3.1 Nb.9) Si18 Sr1.4 Ba.65 K3.75 Na5.5 Ca8.5 Mn.15 Fe.1 O65.74 H7.48
compound: <missing>
formula_title: <missing>
a: 7.126
b: 24.913
c: 17.075
alpha: 90
beta: 101.89
gamma: 90
cell_volume: 2966.288
crystal_density: 2.952
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:
 Porous titanosilicate nanorods in the structure of yuksporite,
 (Sr,Ba)2K4(Ca,Na)14(_,Mn,Fe){(Ti,Nb)4(O,OH)4[Si6O17]2[Si2O7]3}(H2O,OH)n,
 resolved using synchrotron radiation
 Sample: Kola peninsula, Russia

atoms_sites:
["Ti1", "Nb1", "Ti2", "Nb2", "Si1", "Si2", "Si3", "Si4", "Si5", "Si6", "Si7", "Si8", "Si9", "Sr1", "Ba1", "Sr2", "Ba2", "K1", "K2", "Ba2", "K3", "K4", "K5", "Na1A", "Na2A", "Na3A", "Ca3A", "Ca1B", "Ca2B", "Na2B", "Ca3B", "Ca4B", "Na4B", "Ca5B", "Na5B", "MnM", "FeM", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O-H9", "O-H10", "O11", "O12", "O13", "O14", "O15", "O16", "O17", "O18", "O19", "O20", "O21", "O22", "O23", "O24", "O25", "O26", "O27", "O28", "O29", "O30", "O31", "O32", "O33", "O34", "Wat35", "Wat36"]

atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

atoms_u_iso:

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formula: Ti4 Si8 O32.986 Ba.906 Mn.493 K1.708 Na2.196 H11.972
compound: Khibiny alkaline complex, Kola peninsula, Russia
formula_title: <missing>
a: 14.2147
b: 13.764
c: 7.7574
alpha: 90
beta: 116.653
gamma: 90
cell_volume: 1356.468
crystal_density: 2.999
pub_title:
 Origin of diffuse superstructure reflections in labuntsovite-group minerals
 Sample A2 at T = -160 deg C

atoms_sites:
["Ti1", "Ti2", "Si1", "Si2", "O1", "O2", "O-H2", "O3", "O4", "O5", "O6", "O7", "O8", "Ba(C)", "Wat(C)", "Mn(D)", "K(B)", "Na(B)", "Na(A)", "Wat1", "Wat2"]

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formula: Ti4 Si8 O32.986 Ba.906 Mn.493 K1.708 Na2.196 H11.972
compound: Khibiny alkaline complex, Kola peninsula, Russia
formula_title: <missing>
a: 14.2446
b: 13.7884
c: 7.7798
alpha: 90
beta: 116.709
gamma: 90
cell_volume: 1364.993
crystal_density: 2.980
pub_title:
 Origin of diffuse superstructure reflections in labuntsovite-group minerals
 Sample A2 at T = 22 deg C

atoms_sites:
["Ti1", "Ti2", "Si1", "Si2", "O1", "O2", "O-H2", "O3", "O4", "O5", "O6", "O7", "O8", "Ba(C)", "Wat(C)", "Mn(D)", "K(B)", "Na(B)", "Na(A)", "Wat1", "Wat2"]

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formula: Ti4 Si8 O36.92 Ba.76 Fe.46 K1.78 Na2.22 H19.84
compound: Khibiny alkaline complex, Kola peninsula, Russia
formula_title: <missing>
a: 14.237
b: 13.768
c: 7.767
alpha: 90
beta: 116.83
gamma: 90
cell_volume: 1358.557
crystal_density: 3.123
pub_title:
 Origin of diffuse superstructure reflections in labuntsovite-group minerals
 Sample B at T = 22 deg C

atoms_sites:
["Ti1", "Ti2", "Si1", "Si2", "O1", "O2", "O-H2", "O3", "O4", "O5", "O6", "O7", "O8", "Ba(C)", "Wat(C)", "Fe(D)", "K(B)", "Na(B)", "Na(A)", "Wat1", "Wat2"]

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formula: Ti4 Si8 O32 Ba K2 Na2 H10
compound: Khibiny alkaline complex, Kola peninsula, Russia
formula_title: <missing>
a: 14.2446
b: 13.7884
c: 7.75
alpha: 90
beta: 116.709
gamma: 90
cell_volume: 1359.764
crystal_density: 2.930
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Origin of diffuse superstructure reflections in labuntsovite-group minerals
 Note: Predicted ordered structure

atoms_sites:
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atoms_x:
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formula: Ti8 Si16 O66 Ba2 Mn K4 Na4 H24
compound: Khibiny alkaline complex, Kola peninsula, Russia
formula_title: <missing>
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b: 13.7884
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gamma: 90
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pub_title:
 Origin of diffuse superstructure reflections in labuntsovite-group minerals
 Note: Predicted ordered structure

atoms_sites:
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formula: Ti8 Si16 O66 Ba2 Mn K4 Na4 H24
compound: Khibiny alkaline complex, Kola peninsula, Russia
formula_title: <missing>
a: 14.2446
b: 13.7884
c: 15.5
alpha: 90
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pub_title:
 Origin of diffuse superstructure reflections in labuntsovite-group minerals
 Note: Predicted ordered structure

atoms_sites:
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formula: Si4 B Ca1.95 Mn.995 Fe.18 Mg.015 Al1.86 O16 H.9
compound: <missing>
formula_title: <missing>
a: 7.1849
b: 9.2152
c: 8.9765
alpha: 91.761
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gamma: 77.150
cell_volume: 573.595
crystal_density: 3.320
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pub_title:
 Site distribution of Fe2+ and Fe3+ in axinite mineral group:
 New crystal-chemical formula
 Sample 47

atoms_sites:
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formula: Na9 K5.7 Mn10.86 Si26.72 O87.72 H35.72
compound: Kola peninsula, Russia
formula_title: <missing>
a: 14.519
b: 14.519
c: 21.062
alpha: 90
beta: 90
gamma: 120
cell_volume: 3845.065
crystal_density: 2.778
atoms_aniso_label: "<missing>"
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atoms_aniso_u33: 0
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pub_title:
 Synchrotron X-ray diffraction study of the structure of shafranovskite,
 K2Na3(Mn,Fe,Na)4[Si9(O,OH)27].nH2O, a rare manganese silicate
 from Kola peninsula, Russia

atoms_sites:
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atoms_x:

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formula: Ca S O4
compound: <missing>
formula_title: CaSO4
a: 6.3769
b: 6.6439
c: 6.1667
alpha: 90
beta: 102.220
gamma: 90
cell_volume: 255.348
crystal_density: 3.541
atoms_sites: ["Ca", "S", "O1", "O2", "O3", "O4"]
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atoms_aniso_u23: 0
pub_title:
 Evidence for monazite-, barite-, and AgMnO4 (distorted barite)-type structures of CaSO4
 at high pressure and temperature
 Sample: P = 11.8 GPa

qdat:
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formula: Ca S O4
compound: <missing>
formula_title: CaSO4
a: 6.3365
b: 7.5347
c: 4.9532
alpha: 90
beta: 90
gamma: 90
cell_volume: 236.484
crystal_density: 3.824
atoms_sites: ["Ca", "S", "O1", "O2", "O3"]
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pub_title:
 Evidence for monazite-, barite-, and AgMnO4 (distorted barite)-type structures of CaSO4
 at high pressure and temperature
 Sample: P = 21 GPa, T = 1450 K

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formula: Mg2 Si O4
compound: <missing>
formula_title: <missing>
a: 5.6998
b: 11.4383
c: 8.2573
alpha: 90
beta: 90
gamma: 90
cell_volume: 538.343
crystal_density: 3.472
atoms_sites: ["Mg1", "Mg2", "Mg3", "Si", "O1", "O2", "O3", "O4"]
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pub_title:
 A systematic study of OH in hydrous wadsleyite from polarized FTIR spectroscopy and
 single-crystal X-ray diffraction: Oxygen sites for hydrogen storage in Earth's interior
 Sample: ~150 wt ppm H2O

qdat:
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formula: Mg2 Si O4
compound: <missing>
formula_title: <missing>
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alpha: 90
beta: 90
gamma: 90
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pub_title:
 A systematic study of OH in hydrous wadsleyite from polarized FTIR spectroscopy and
 single-crystal X-ray diffraction: Oxygen sites for hydrogen storage in Earth's interior
 Sample: ~3200 wt ppm H2O

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formula: Mg2 Si O4
compound: <missing>
formula_title: <missing>
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b: 11.4830
c: 8.2527
alpha: 90
beta: 90
gamma: 90
cell_volume: 539.122
crystal_density: 3.467
atoms_sites: ["Mg1", "Mg2", "Mg3", "Si", "O1", "O2", "O3", "O4"]
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pub_title:
 A systematic study of OH in hydrous wadsleyite from polarized FTIR spectroscopy and
 single-crystal X-ray diffraction: Oxygen sites for hydrogen storage in Earth's interior
 Sample: ~9600 wt ppm H2O

qdat:
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formula: Ca2 Si O4 F H
compound: <missing>
pub_title: Ca2SiO3OHF - A high-pressure phase with dense calcium polyhedral packing and tetrahedral silicon
formula_title: Ca2SiO3OHF
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b: 10.6050
c: 6.6968
alpha: 90
beta: 102.025
gamma: 90
cell_volume: 403.646
crystal_density: 3.163
atoms_sites: ["Ca1", "Ca2", "Si", "O1", "O2", "O3", "O-H", "F"]
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formula: Mg1.433 Mn.541 Ti.002 Ca.024 Si1.997 Al.003 O6
compound: <missing>
formula_title: <missing>
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b: 8.8725
c: 5.2289
alpha: 90
beta: 90
gamma: 90
cell_volume: 852.099
crystal_density: 3.395
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pub_title:
 The Mn, Mg-intracrystalline exchange reaction in donpeacorite (Mn0.54Ca0.03Mg1.43Si2O6)
 and its relation to the fractionation behavior of Mn in Fe, Mg-orthopyroxene
 Sample: untreated

atoms_sites:
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pub_title:
 The Mn, Mg-intracrystalline exchange reaction in donpeacorite (Mn0.54Ca0.03Mg1.43Si2O6)
 and its relation to the fractionation behavior of Mn in Fe, Mg-orthopyroxene
 Sample: quenched from 980 deg C DIS

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pub_title:
 The Mn, Mg-intracrystalline exchange reaction in donpeacorite (Mn0.54Ca0.03Mg1.43Si2O6)
 and its relation to the fractionation behavior of Mn in Fe, Mg-orthopyroxene
 Sample: quenched from 900 deg C DIS

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pub_title:
 The Mn, Mg-intracrystalline exchange reaction in donpeacorite (Mn0.54Ca0.03Mg1.43Si2O6)
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 Sample: quenched from 904 deg C ORD

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pub_title:
 The Mn, Mg-intracrystalline exchange reaction in donpeacorite (Mn0.54Ca0.03Mg1.43Si2O6)
 and its relation to the fractionation behavior of Mn in Fe, Mg-orthopyroxene
 Sample: quenched from 856 deg C ORD

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pub_title:
 The Mn, Mg-intracrystalline exchange reaction in donpeacorite (Mn0.54Ca0.03Mg1.43Si2O6)
 and its relation to the fractionation behavior of Mn in Fe, Mg-orthopyroxene
 Sample: quenched from 806 deg C ORD

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formula: Cu Sb S2
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pub_title:
 Crystal structures of chalcostibite (CuSbS2) and emplectite (CuBiS2): Structural
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pub_title:
 Crystal structures of chalcostibite (CuSbS2) and emplectite (CuBiS2): Structural
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pub_title:
 Cation ordering in magnesioferrite, MgFe2O4, to 982 C using in situ synchrotron X-ray powder diffraction
 Sample: on heating T = 28 C


formula: (Fe2 Mg) O4
compound: <missing>
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pub_title:
 Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
 in situ synchrotron X-ray powder diffraction
 Sample: on heating T = 47 C


formula: (Fe2 Mg) O4
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pub_title:
 Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
 in situ synchrotron X-ray powder diffraction
 Sample: on heating T = 105 C

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pub_title:
 Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
 in situ synchrotron X-ray powder diffraction
 Sample: on heating T = 143 C

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pub_title:
 Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
 in situ synchrotron X-ray powder diffraction
 Sample: on heating T = 200 C

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pub_title:
 Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
 in situ synchrotron X-ray powder diffraction
 Sample: on heating T = 257 C

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formula: (Fe2 Mg) O4
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pub_title:
 Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
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 Sample: on heating T = 295 C

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pub_title:
 Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
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 Sample: on heating T = 353 C

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pub_title:
 Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
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 Sample: on heating T = 410 C

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pub_title:
 Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
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 Sample: on heating T = 448 C

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pub_title:
 Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
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 Sample: on heating T = 505 C

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pub_title:
 Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
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 Sample: on heating T = 543 C

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pub_title:
 Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
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 Sample: on heating T = 562 C

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pub_title:
 Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
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 Sample: on heating T = 581 C


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pub_title:
 Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
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 Sample: on heating T = 601 C

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pub_title:
 Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
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 Sample: on heating T = 658 C

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pub_title:
 Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
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 Sample: on heating T = 696 C

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pub_title:
 Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
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 Sample: on heating T = 753 C

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pub_title:
 Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
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 Sample: on heating T = 791 C

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pub_title:
 Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
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 Sample: on heating T = 848 C

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pub_title:
 Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
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 Sample: on heating T = 906 C

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pub_title:
 Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
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 Sample: on heating T = 944 C

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pub_title:
 Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
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 Sample: on heating T = 982 C

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pub_title:
 Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
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 Sample: on cooling T = 963 C

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 Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
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pub_title:
 Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
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 Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
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pub_title:
 Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
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 Sample: on cooling T = 791 C

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pub_title:
 Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
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pub_title:
 Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
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pub_title:
 Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
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 Sample: on cooling T = 696 C

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pub_title:
 Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
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 Sample: on cooling T = 658 C

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pub_title:
 Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
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 Sample: on cooling T = 601 C


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pub_title:
 Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
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 Sample: on cooling T = 562 C

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 Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
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 Sample: on cooling T = 543 C

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pub_title:
 Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
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 Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
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pub_title:
 Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
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 Sample: on cooling T = 410 C

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 Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
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 Sample: on cooling T = 353 C

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 Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
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 Sample: on cooling T = 295 C

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pub_title:
 Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
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 Sample: on cooling T = 257 C

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pub_title:
 Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
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 Sample: on cooling T = 200 C

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pub_title:
 Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
 in situ synchrotron X-ray powder diffraction
 Sample: on cooling T = 143 C

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pub_title:
 Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
 in situ synchrotron X-ray powder diffraction
 Sample: on cooling T = 105 C

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pub_title:
 Cation ordering in magnesioferrite, MgFe2O4, to 982 C using
 in situ synchrotron X-ray powder diffraction
 Sample: on cooling T = 47 C

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pub_title:
 The role of water in the structures of synthetic hallimondite, Pb2[(UO2)(AsO4)2](H2O)n
 and synthetic parsonsite, Pb2[(UO2)(PO4)2](H2O)n, 0 < n < 0.5

atoms_sites:
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pub_title:
 The role of water in the structures of synthetic hallimondite, Pb2[(UO2)(AsO4)2](H2O)n
 and synthetic parsonsite, Pb2[(UO2)(PO4)2](H2O)n, 0 < n < 0.5

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pub_title:
 Variable-temperature structural studies of tetranatrolite from Mt. Saint-Hilaire:
 Synchrotron X-ray powder diffraction and Rietveld analysis
 Sample: at ambient conditions

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pub_title:
 Variable-temperature structural studies of tetranatrolite from Mt. Saint-Hilaire:
 Synchrotron X-ray powder diffraction and Rietveld analysis
 Sample: T = 100 C

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pub_title:
 Variable-temperature structural studies of tetranatrolite from Mt. Saint-Hilaire:
 Synchrotron X-ray powder diffraction and Rietveld analysis
 Sample: T = 200 C

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pub_title:
 Variable-temperature structural studies of tetranatrolite from Mt. Saint-Hilaire:
 Synchrotron X-ray powder diffraction and Rietveld analysis
 Sample: T = 300 C, phase I

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pub_title:
 Variable-temperature structural studies of tetranatrolite from Mt. Saint-Hilaire:
 Synchrotron X-ray powder diffraction and Rietveld analysis
 Sample: T = 300 C, phase II

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formula: Si3 Al2 O13 Na2 H6
compound: <missing>
formula_title: <missing>
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b: 19.293
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pub_title:
 Pressure-induced stabilization of ordered paranatrolite: A new
 insight into the paranatrolite controversy
 Sample: at P = 0.99 GPa

atoms_sites:
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formula: Mg Ge O3
compound: <missing>
formula_title: MgGeO3
a: 2.613
b: 8.473
c: 6.443
alpha: 90
beta: 90
gamma: 90
cell_volume: 142.648
crystal_density: 6.748
atoms_sites: ["Mg", "Ge", "O1", "O2"]
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pub_title:
 Stability and equation of state of MgGeO3 post-perovskite phase
 Sample: P = 78.3 GPa, T = 300 K
 Note: CaIrO3-type structure

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formula: Mg Ge O3
compound: <missing>
formula_title: MgGeO3
a: 2.613
b: 8.473
c: 6.443
alpha: 90
beta: 90
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cell_volume: 142.648
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pub_title:
 Stability and equation of state of MgGeO3 post-perovskite phase
 Sample: P = 78.3 GPa, T = 300 K
 Note: CaIrO3-type structure, positional parameters from MD simulation

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formula: Mg1.85 Mn.83 Ti.6 Fe.72 Al.1 Li1.8 Na2.92 Ca.28 Si8 O24 K.8
compound: <missing>
formula_title: <missing>
a: 9.808
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cell_volume: 894.631
crystal_density: 3.315
pub_title:
 Dellaventuraite, NaNa2(MgMn2TiLi)Si8O22O2, a new anhydrous amphibole from
 the Kajlidongri Manganese Mine, Jhabua District, Madhya Pradesh, India

atoms_sites:
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formula: Fe2 S3 O17 H10
compound: <missing>
pub_title: The crystal structures of synthetics Fe2(SO4)3(H2O)5 and the type specimen of lausenite
formula_title: <missing>
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atoms_sites: ["Fe1", "Fe2", "S1", "S2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "Wat1", "Wat2", "Wat3"]
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formula: Ca Al2 Si2 O10 H4
compound: <missing>
formula_title: <missing>
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b: 8.7768
c: 13.1107
alpha: 90
beta: 90
gamma: 90
cell_volume: 673.332
crystal_density: 3.100
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pub_title:
 Ordering and elasticity associated with low-temperature phase transitions in lawsonite
 Sample at T = 215 K

atoms_sites:
["Ca", "Al", "Ala", "Si", "Sia", "O1", "O2", "O2a", "O3", "O3a", "O4", "O4a", "O5", "Hw", "Hwa", "Hh", "Hha"]

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formula: Na.46 Ca.01 Al8.652 Li.33 Mn.249 Fe.039 Ti.009 Si5.472 B3.252 O30.96 F.04 H4.85
compound: Eibenstein an der Thaya, Lower Austria
formula_title: <missing>
a: 15.8031
b: 15.8031
c: 7.0877
alpha: 90
beta: 90
gamma: 120
cell_volume: 1532.923
crystal_density: 3.096
atoms_aniso_label: "<missing>"
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pub_title:
 Mn-bearing "oxy-rossmanite" with tetrahedrally-coordinated Al and B from
 Austria: Structure, chemistry, and infrared and optical spectroscopic study
 Sample: REDT1
 Reported formula: (Na.46 Ca.01) (Al2.37 Li.33 Mn2+.25 Fe2+.04 Ti4+.01) Al6
 (Si5.47 Al.28 B.25) O18 (BO3)3 [(OH)2.85 O.15] [O.86 (OH).10 F.04]
 Tourmaline

atoms_sites:
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formula: Na.46 Ca.01 Al8.601 Li.321 Mn.279 Fe.039 Ti.012 Si5.508 B3.24 O30.96 F.04 H2.899
compound: Eibenstein an der Thaya, Lower Austria
formula_title: <missing>
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c: 7.0935
alpha: 90
beta: 90
gamma: 120
cell_volume: 1536.897
crystal_density: 3.086
atoms_aniso_label: "<missing>"
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pub_title:
 Mn-bearing "oxy-rossmanite" with tetrahedrally-coordinated Al and B from
 Austria: Structure, chemistry, and infrared and optical spectroscopic study
 Sample: REDT4
 Reported formula: (Na.46 Ca.01) (Al2.35 Li.32 Mn2+.28 Fe2+.04 Ti4+.01) Al6
 (Si5.51 Al.25 B.24) O18 (BO3)3 [(OH)2.80 O.20] [O.86 (OH).10 F.04]
 Tourmaline

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compound: <missing>
formula_title: <missing>
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gamma: 90
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pub_title:
 Re-examination of the hydrogarnet structure at high pressure
 using neutron powder diffraction and infrared spectroscopy
 Sample: P = 0.08 GPa

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pub_title:
 Re-examination of the hydrogarnet structure at high pressure
 using neutron powder diffraction and infrared spectroscopy
 Sample: P = 0.80 GPa

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pub_title:
 Re-examination of the hydrogarnet structure at high pressure
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 Sample: P = 1.72 GPa

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pub_title:
 Re-examination of the hydrogarnet structure at high pressure
 using neutron powder diffraction and infrared spectroscopy
 Sample: P = 2.98 GPa

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pub_title:
 Re-examination of the hydrogarnet structure at high pressure
 using neutron powder diffraction and infrared spectroscopy
 Sample: P = 4.05 GPa

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pub_title:
 Re-examination of the hydrogarnet structure at high pressure
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 Sample: P = 5.40 GPa

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pub_title:
 Re-examination of the hydrogarnet structure at high pressure
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 Sample: P = 6.65 GPa

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pub_title:
 Re-examination of the hydrogarnet structure at high pressure
 using neutron powder diffraction and infrared spectroscopy
 Sample: P = 7.55 GPa

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pub_title:
 Re-examination of the hydrogarnet structure at high pressure
 using neutron powder diffraction and infrared spectroscopy
 Sample: P = 8.56 GPa

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pub_title:
 Re-examination of the hydrogarnet structure at high pressure
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 Sample: P = 9.42 GPa

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pub_title:
 Anomalous elastic behavior and high-pressure structural evolution of zeolite levyne
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pub_title: Anomalous elastic behavior and high-pressure structural evolution of zeolite levyne P = .79 GPa
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formula: Ca2.56 K.56 Na.5 (Si12.426 Al5.574) O66.72 H61.44
compound: Beech Creek, Grant County, Oregon
pub_title: Anomalous elastic behavior and high-pressure structural evolution of zeolite levyne P = 3.0 GPa
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formula: Ca2.16 K.5 Na.1 (Si12.426 Al5.574) O61.44 H50.88
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pub_title:
 Anomalous elastic behavior and high-pressure structural evolution of zeolite levyne
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formula: Na1.862 Mn2.02 Fe P3 O12
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pub_title:
 Crystal chemistry of the hydrothermally synthesized
 Na2(Mn1-xFe2+x)2Fe3+(PO4)3 alluaudite-type solid solution
 Sample: Na2Mn2Fe3+(PO4)3 (x = 0.00)

atoms_sites:
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formula: Na1.56 Mn1.538 Fe1.5 P3 O12
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pub_title:
 Crystal chemistry of the hydrothermally synthesized
 Na2(Mn1-xFe2+x)2Fe3+(PO4)3 alluaudite-type solid solution
 Sample: Na2Mn1.5Fe2+0.5Fe3+(PO4)3 (x = 0.25)

atoms_sites:
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pub_title:
 Crystal chemistry of the hydrothermally synthesized
 Na2(Mn1-xFe2+x)2Fe3+(PO4)3 alluaudite-type solid solution
 Sample: Na2MnFe2+Fe3+(PO4)3 (x = 0.50)

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pub_title:
 Crystal chemistry of the hydrothermally synthesized
 Na2(Mn1-xFe2+x)2Fe3+(PO4)3 alluaudite-type solid solution
 Sample: Na2Mn0.5Fe2+1.5Fe3+(PO4)3 (x = 0.75)

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pub_title:
 Crystal chemistry of the hydrothermally synthesized
 Na2(Mn1-xFe2+x)2Fe3+(PO4)3 alluaudite-type solid solution
 Sample: Na2Fe2+2Fe3+(PO4)3 (x = 1.00)

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formula: Fe S2 O8
compound: <missing>
formula_title: FeOHSO4
a: 3.668
b: 6.418
c: 7.159
alpha: 90
beta: 90
gamma: 90
cell_volume: 168.532
crystal_density: 4.887
atoms_sites: ["Fe", "S", "O1", "O2", "O4"]
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pub_title:
 The order-disorder character of FeOHSO4 obtained from the thermal decomposition of
 metahohmannite, Fe3+2(H2O)4[O(SO4)2]
 Sample: T = 220 C
 Note: this is a fictitious "superposition structure", resulting from Rietveld refinement
 of a structure with disordered layer stacking

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formula: Fe S O5
compound: <missing>
formula_title: FeOHSO4
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b: 7.14
c: 7.39
alpha: 90
beta: 119.7
gamma: 90
cell_volume: 335.956
crystal_density: 3.320
atoms_sites: ["Fe1", "Fe2", "S", "O1", "O2", "O3", "O4", "O5"]
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pub_title:
 The order-disorder character of FeOHSO4 obtained from the thermal decomposition of
 metahohmannite, Fe3+2(H2O)4[O(SO4)2]
 Sample: T = 220 C
 Note: this is the MDO2 polytype, a maximally ordered member of a family of OD structures

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pub_title:
 Temperature and composition dependence of structural phase transitions in
 Ca(TixZr1-x)OGeO4.
 Sample: Ti95, titanite structure

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compound: <missing>
formula_title: Ca(Ti,Zr)OGeO4
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pub_title:
 Temperature and composition dependence of structural phase transitions in
 Ca(TixZr1-x)OGeO4.
 Sample: Ti90, titanite structure

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formula: Ca Ti.807 Zr.192 Ge O5
compound: <missing>
formula_title: Ca(Ti,Zr)OGeO4
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alpha: 90
beta: 113.600
gamma: 90
cell_volume: 391.940
crystal_density: 4.217
atoms_sites: ["Ca", "Ti", "Zr", "Ge", "O1", "O2", "O3"]
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pub_title:
 Temperature and composition dependence of structural phase transitions in
 Ca(TixZr1-x)OGeO4.
 Sample: Ti80, hi-T titanite structure

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compound: <missing>
formula_title: Ca(Ti,Zr)OGeO4
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pub_title:
 Temperature and composition dependence of structural phase transitions in
 Ca(TixZr1-x)OGeO4.
 Sample: Ti50, hi-T titanite structure

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compound: <missing>
formula_title: Ca(Ti,Zr)OGeO4
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cell_volume: 415.981
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atoms_sites: ["Ca", "Ti1", "Zr1", "Ti2", "Zr2", "Ge", "O1", "O2A", "O2B", "O3A", "O3B"]
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pub_title:
 Temperature and composition dependence of structural phase transitions in
 Ca(TixZr1-x)OGeO4.
 Sample: Ti20, triclinically distorted titanite structure

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formula_title: Ca(Ti,Zr)OGeO4
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cell_volume: 419.499
crystal_density: 4.416
atoms_sites: ["Ca", "Ti1", "Zr1", "Ti2", "Zr2", "Ge", "O1", "O2A", "O2B", "O3A", "O3B"]
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pub_title:
 Temperature and composition dependence of structural phase transitions in
 Ca(TixZr1-x)OGeO4.
 Sample: Ti10, triclinically distorted titanite structure

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formula: Na1.71 Mg6.13 Si8 O24 (H1.37 D.63)
compound: <missing>
formula_title: Na(NaMg)Mg5Si8O22(OH)2
a: 9.71887
b: 17.93853
c: 5.26923
alpha: 90
beta: 102.526
gamma: 90
cell_volume: 896.783
crystal_density: 2.961
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atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Low-T neutron powder-diffraction and synchrotron-radiation IR study of synthetic
 amphibole Na(NaMg)Mg5Si8O22(OH)2
 Sample: T = 298 K

atoms_sites:
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formula: Na1.71 Mg6.13 Si8 O24 (H1.37 D.63)
compound: <missing>
formula_title: Na(NaMg)Mg5Si8O22(OH)2
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b: 17.89537
c: 5.25744
alpha: 90
beta: 102.597
gamma: 90
cell_volume: 890.800
crystal_density: 2.981
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atoms_aniso_u23: 0
pub_title:
 Low-T neutron powder-diffraction and synchrotron-radiation IR study of synthetic
 amphibole Na(NaMg)Mg5Si8O22(OH)2
 Sample: T = 8 K

atoms_sites:
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formula: Na.46 K.09 Mg2.13 Fe.42 Al1.27 Si3.12 O12
compound: <missing>
pub_title: The true structure of wonesite, an interlayer-deficient trioctahedral sodium mica
formula_title: <missing>
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b: 9.18
c: 9.754
alpha: 96.20
beta: 96.5
gamma: 89.9
cell_volume: 469.621
crystal_density: 2.851
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atoms_sites:
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formula: Na.67 K.01 Mg1.82 Fe.52 Al2.02 Cr.01 Zn.01 Li2.57 Mn.02 Ca.04 Si7.96 O23.1 (F.9 H1.1)
compound: <missing>
formula_title: <missing>
a: 9.368
b: 17.616
c: 5.271
alpha: 90
beta: 102.38
gamma: 90
cell_volume: 849.629
crystal_density: 3.036
pub_title:
 Clinoholmquistite discredited: The new amphibole end-member fluoro-sodic-pedrizite
 sample from Tastyg spodumene deposit, Tuva, Siberia, Russia

atoms_sites:
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formula: Na.31 K.1 Mg4.75 Fe.18 Mn.01 Ti.01 Zn.01 Al.144 Ca1.85 Si7.928 B.008 O23.67 F.33 H1.67
compound: <missing>
formula_title: <missing>
a: 9.848
b: 18.049
c: 5.279
alpha: 90
beta: 104.73
gamma: 90
cell_volume: 907.486
crystal_density: 3.022
pub_title:
 Clinoholmquistite discredited: The new amphibole end-member fluoro-sodic-pedrizite
 sample from Tastyg spodumene deposit, Tuva, Siberia, Russia

atoms_sites:
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atoms_x:
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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: Ca Ge O3
compound: <missing>
pub_title: Crystal structure of single-crystal CaGeO3 tetragonal garnet synthesized at 3 GPa and 1000 C
formula_title: CaGeO3
a: 12.535
b: 12.535
c: 12.370
alpha: 90
beta: 90
gamma: 90
cell_volume: 1943.651
crystal_density: 4.393
atoms_sites: ["CaX1", "CaX2", "CaY1", "GeY2", "GeZ1", "GeZ2", "GeZ3", "O1", "O2", "O3", "O4", "O5", "O6"]
atoms_x: OB8mAICEHgCAhB4AgIQeAICEHgCAhB4AmDwmANhmIADYJCEAoBosAHBaKwAwahoAUDMYAA==
atoms_y: QC4AAEBCDwAAAAAAAAAAAEBCDwBAQg8AyOsAANgKBACIcP3/kMMGACBE+/+gLQoAqM0MAA==
atoms_z: OHIPAEgKJgCAhB4AAAAAAGDjFgDgZzUAuDcuAJj4KACIkzQAkCoxAIC0KgCgdRwAGOAvAA==
atoms_occupancy: 0
atoms_u_iso: 6FgAALBZAAAgUwAACDkAACA/AAB4SwAACDQAAFBfAAB4UAAACDkAAIhjAABgVAAAyG4AAA==
atoms_aniso_label: ["CaX1", "CaX2", "CaY1", "GeY2", "GeZ1", "GeZ2", "GeZ3", "O1", "O2", "O3", "O4", "O5", "O6"]
atoms_aniso_u11: QDgAANCEAACAPgAAECcAADBDAADARAAAgCUAAOBHAAAQQAAAUC0AABBZAAAAMgAAkEwAAA==
atoms_aniso_u22: wF0AAGA7AADwVQAAIDUAADBDAADARAAAwCsAALBoAABQXwAA8AoAABBAAADwVQAA4EcAAA==
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atoms_aniso_u12: 8PH//9Du//+QAQAAkAEAAAAAAAAAAAAAcP7///AjAABQ4v//EA4AAJAzAADA4P//cDAAAA==
atoms_aniso_u13: 0AcAAAAAAABABgAAIAMAAAAAAAAAAAAAIAMAAPDx///AEgAAQAYAAMASAACg9v//gAwAAA==
atoms_aniso_u23: MBEAAAAAAAAAAAAAMPj//wAAAAAAAAAAUPv//+D8//8A5///sB0AAGDw///AEgAAgNr//w==
qdat:
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formula: Ca Ge O3
compound: <missing>
formula_title: CaGeO3
a: 12.535
b: 12.535
c: 12.370
alpha: 90
beta: 90
gamma: 90
cell_volume: 1943.651
crystal_density: 4.393
atoms_sites: ["CaX1", "CaX2", "CaY1", "GeY2", "GeZ1", "GeZ2", "GeZ3", "O1", "O2", "O3", "O4", "O5", "O6"]
atoms_x: uJoHAAAAAAAAAAAAAAAAAAAAAAAAAAAAGLgHAFjiAQBYoAIAIJYNAPDVDACw5fv/0K75/w==
atoms_y: QC4AAEBCDwAAAAAAAAAAAEBCDwBAQg8AyOsAANgKBACIcP3/kMMGACBE+/+gLQoAqM0MAA==
atoms_z: OHIPAEgKJgCAhB4AAAAAAGDjFgDgZzUAuDcuAJj4KACIkzQAkCoxAIC0KgCgdRwAGOAvAA==
atoms_occupancy: 0
atoms_u_iso: 6FgAALBZAAAgUwAACDkAACA/AAB4SwAACDQAAFBfAAB4UAAACDkAAIhjAABgVAAAyG4AAA==
atoms_aniso_label: ["CaX1", "CaX2", "CaY1", "GeY2", "GeZ1", "GeZ2", "GeZ3", "O1", "O2", "O3", "O4", "O5", "O6"]
atoms_aniso_u11: QDgAANCEAACAPgAAECcAADBDAADARAAAgCUAAOBHAAAQQAAAUC0AABBZAAAAMgAAkEwAAA==
atoms_aniso_u22: wF0AAGA7AADwVQAAIDUAADBDAADARAAAwCsAALBoAABQXwAA8AoAABBAAADwVQAA4EcAAA==
atoms_aniso_u33: MHUAAJBMAACQZQAAIE4AALA2AAAQWQAAAEsAAPBuAADQUgAAEHIAAOCSAAAwdQAAYLgAAA==
atoms_aniso_u12: 8PH//9Du//+QAQAAkAEAAAAAAAAAAAAAcP7///AjAABQ4v//EA4AAJAzAADA4P//cDAAAA==
atoms_aniso_u13: 0AcAAAAAAABABgAAIAMAAAAAAAAAAAAAIAMAAPDx///AEgAAQAYAAMASAACg9v//gAwAAA==
atoms_aniso_u23: MBEAAAAAAAAAAAAAMPj//wAAAAAAAAAAUPv//+D8//8A5///sB0AAGDw///AEgAAgNr//w==
pub_title:
 Crystal structure of single-crystal CaGeO3 tetragonal garnet synthesized at 3 GPa and 1000 C
 Note: alternate origin, resulting in coordinates similar to some majorite refinements

qdat:
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formula: Mn5 Si5 O15
compound: <missing>
formula_title: <missing>
a: 9.8381
b: 10.5361
c: 12.2381
alpha: 108.697
beta: 103.335
gamma: 82.191
cell_volume: 1166.558
crystal_density: 3.730
atoms_occupancy: 0
pub_title:
 Crystal chemistry of Zn-rich rhodonite ("fowlerite")
 Sample: 15-4018
 Note: see samples 15-4029 and 15-4024 for plausible typical "fowlerite"
 and rhodonite cation distributions

atoms_sites:
["Mn1", "Mn2", "Mn3", "Mn4", "Mn5", "Si1", "Si2", "Si3", "Si4", "Si5", "OA1", "OA2", "OA3", "OA4", "OA5", "OA6", "OB1", "OB2", "OB3", "OB4", "OC1", "OC2", "OC3", "OC4", "OC5"]

atoms_x:
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atoms_y:
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atoms_z:
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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_u13:
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qdat:
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formula: Mn3.275 Fe.209 Ca1.001 Zn.41 Mg.13 Si5 O15
compound: <missing>
formula_title: <missing>
a: 9.7718
b: 10.5084
c: 12.2256
alpha: 108.606
beta: 103.017
gamma: 82.482
cell_volume: 1156.844
crystal_density: 3.687
pub_title:
 Crystal chemistry of Zn-rich rhodonite ("fowlerite")
 Sample: 15-4024
 Note: this is a plausible typical cation distribution for "fowlerite"

atoms_sites:
["Mn1", "Fe1", "Ca1", "Mn2", "Ca2", "Fe2", "Mn3", "Ca3", "Fe3", "Mn4", "Zn4", "Mg4", "Fe4", "Ca5", "Mn5", "Fe5", "Si1", "Si2", "Si3", "Si4", "Si5", "OA1", "OA2", "OA3", "OA4", "OA5", "OA6", "OB1", "OB2", "OB3", "OB4", "OC1", "OC2", "OC3", "OC4", "OC5"]

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_aniso_label:
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qdat:
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formula: Mn5 Si5 O15
compound: <missing>
formula_title: <missing>
a: 9.7999
b: 10.5176
c: 12.2365
alpha: 108.587
beta: 103.185
gamma: 82.320
cell_volume: 1161.395
crystal_density: 3.747
atoms_occupancy: 0
pub_title:
 Crystal chemistry of Zn-rich rhodonite ("fowlerite")
 Sample: 15-4025
 Note: see samples 15-4029 and 15-4024 for plausible typical fowlerite
 and rhodonite cation distributions

atoms_sites:
["Mn1", "Mn2", "Mn3", "Mn4", "Mn5", "Si1", "Si2", "Si3", "Si4", "Si5", "OA1", "OA2", "OA3", "OA4", "OA5", "OA6", "OB1", "OB2", "OB3", "OB4", "OC1", "OC2", "OC3", "OC4", "OC5"]

atoms_x:
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atoms_y:
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atoms_z:
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atoms_u_iso:
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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: Mn5 Si5 O15
compound: <missing>
formula_title: <missing>
a: 9.7902
b: 10.5184
c: 12.2230
alpha: 108.644
beta: 103.159
gamma: 82.308
cell_volume: 1158.776
crystal_density: 3.755
atoms_occupancy: 0
pub_title:
 Crystal chemistry of Zn-rich rhodonite ("fowlerite")
 Sample: 15-4026
 Note: see samples 15-4029 and 15-4024 for plausible typical fowlerite
 and rhodonite cation distributions

atoms_x:
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atoms_y:
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atoms_z:
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atoms_u_iso:
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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: Mn5 Si5 O15
compound: <missing>
formula_title: <missing>
a: 9.8451
b: 10.5389
c: 12.2414
alpha: 108.692
beta: 103.299
gamma: 82.184
cell_volume: 1168.193
crystal_density: 3.725
atoms_occupancy: 0
pub_title:
 Crystal chemistry of Zn-rich rhodonite ("fowlerite")
 Sample: 15-4030
 Note: see samples 15-4029 and 15-4024 for plausible typical fowlerite
 and rhodonite cation distributions

atoms_x:
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atoms_y:
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atoms_z:
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atoms_u_iso:
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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: Mn5 Si5 O15
compound: <missing>
formula_title: <missing>
a: 9.8121
b: 10.5187
c: 12.2180
alpha: 108.651
beta: 103.217
gamma: 82.308
cell_volume: 1160.630
crystal_density: 3.749
atoms_occupancy: 0
pub_title:
 Crystal chemistry of Zn-rich rhodonite ("fowlerite")
 Sample: 15-4031
 Note: see samples 15-4029 and 15-4024 for plausible typical fowlerite
 and rhodonite cation distributions

atoms_x:
EAQAANgTAAA4/gAAwKADACjDPADAeQwAEPIMAGA4DQBwFA0A8IoMADDIBwDwRAcAMAAHANBBBwAA6QcAIBEGALDUBwAgoQcAcM4HAAC3BwDAUwoA4MAJAEAVCgAgrgkAgO8IAA==

atoms_y:
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atoms_z:
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atoms_u_iso:
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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:
kDMAAIAlAACwNgAAUPv//2BtAAAgHAAAQB8AANAgAAAAGQAA0CAAAJAaAADAKwAAIBwAABAnAADAKwAAIDUAAEBRAAAgHAAAIBwAAJABAACwNgAAgAwAAOAuAADgRwAAMCoAAA==

atoms_aniso_u23:
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qdat:
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formula: Mn5 Si5 O15
compound: <missing>
formula_title: <missing>
a: 9.7834
b: 10.5023
c: 12.2338
alpha: 108.682
beta: 103.273
gamma: 82.213
cell_volume: 1156.343
crystal_density: 3.763
atoms_occupancy: 0
pub_title:
 Crystal chemistry of Zn-rich rhodonite ("fowlerite")
 Sample: 15-4033
 Note: see samples 15-4029 and 15-4024 for plausible typical fowlerite
 and rhodonite cation distributions

atoms_x:
uPL//9gTAAAIBgEAmMgDADC2PAAweAwAEPIMAAAvDQCQ/gwAYHAMALC7BwBQNQcAgPsGAPBEBwCw7QcAkPYFALDtBwDgmgcAMMgHAFCZBwCQQgoAkMUJABAECgDAiwkAENgIAA==

atoms_y:
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atoms_z:
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atoms_u_iso:
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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: Mn5 Si5 O15
compound: <missing>
formula_title: <missing>
a: 9.7648
b: 10.4912
c: 12.2228
alpha: 108.671
beta: 103.177
gamma: 82.284
cell_volume: 1152.475
crystal_density: 3.776
atoms_occupancy: 0
pub_title:
 Crystal chemistry of Zn-rich rhodonite ("fowlerite")
 Sample: 15-4034
 Note: see samples 15-4029 and 15-4024 for plausible typical fowlerite
 and rhodonite cation distributions

atoms_x:
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atoms_y:
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atoms_z:
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atoms_u_iso:
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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:
EPX//0Dt//+A8///sNL//zD4//8A5///AOf//3D+//9A7f//gPP//8D5//8gAwAA4OP//9AHAADQ1f//kAEAAFCw///Arv//MFwAACDR//8Azv//MK3//zD4//9w/v//UPv//w==

qdat:
AAAAAAAAAQEgAABCgAEAgQgZAEAHQEAHlQkFRZSEk7YweBd3oHNYrZR99nWpY9x9Hufb39m9Zbr+/+2v+//u9/r7fv/X/b5///f/f/7/3/+++/7r//////////b/8v/+7+//37/v/b/ubf+bv39b/z/0/Je33dTBL9dsNM==


formula: Mn3 Zn Ca Si5 O15
compound: <missing>
formula_title: <missing>
a: 9.8456
b: 10.4992
c: 12.2005
alpha: 108.726
beta: 103.724
gamma: 82.113
cell_volume: 1157.758
crystal_density: 3.733
atoms_occupancy: 0
pub_title:
 Crystal chemistry of Zn-rich rhodonite ("fowlerite")
 Sample: 15-4006
 Note: see samples 15-4029 and 15-4024 for plausible typical fowlerite
 and rhodonite cation distributions

atoms_sites:
["Mn1", "Mn2", "Mn3", "Zn4", "Ca5", "Si1", "Si2", "Si3", "Si4", "Si5", "OA1", "OA2", "OA3", "OA4", "OA5", "OA6", "OB1", "OB2", "OB3", "OB4", "OC1", "OC2", "OC3", "OC4", "OC5"]

atoms_x:
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atoms_y:
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atoms_z:
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atoms_u_iso:
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atoms_aniso_label:
["Mn1", "Mn2", "Mn3", "Zn4", "Ca5", "Si1", "Si2", "Si3", "Si4", "Si5", "OA1", "OA2", "OA3", "OA4", "OA5", "OA6", "OB1", "OB2", "OB3", "OB4", "OC1", "OC2", "OC3", "OC4", "OC5"]

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: Mn3 Zn Ca Si5 O15
compound: <missing>
formula_title: <missing>
a: 9.8768
b: 10.5222
c: 12.2180
alpha: 108.748
beta: 103.781
gamma: 82.037
cell_volume: 1165.125
crystal_density: 3.710
atoms_occupancy: 0
pub_title:
 Crystal chemistry of Zn-rich rhodonite ("fowlerite")
 Sample: 15-4014
 Note: see samples 15-4029 and 15-4024 for plausible typical fowlerite
 and rhodonite cation distributions

atoms_sites:
["Mn1", "Mn2", "Mn3", "Zn4", "Ca5", "Si1", "Si2", "Si3", "Si4", "Si5", "OA1", "OA2", "OA3", "OA4", "OA5", "OA6", "OB1", "OB2", "OB3", "OB4", "OC1", "OC2", "OC3", "OC4", "OC5"]

atoms_x:
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atoms_y:
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atoms_z:
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atoms_u_iso:
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atoms_aniso_u11:
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atoms_aniso_u22:
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atoms_aniso_u33:
kJcAADCOAADwhwAAUHgAALDlAAAgZwAA0GsAAFBfAACAcAAAUHgAALCzAADAqAAA8KAAAKC+AAAwwAAAMNkAAJCwAADgkgAAMMAAAKCMAACAcAAAoL4AAEBqAADgkgAAsIEAAA==

atoms_aniso_u12:
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atoms_aniso_u13:
wCsAAPAjAADAKwAAgPP//yBOAACQGgAAUBQAAOAVAABwFwAA8CMAAMASAAAgHAAAcBcAAIAlAADAKwAAkDMAAEAfAAAAGQAA4EcAADAqAADgLgAAABkAALAdAACQMwAAABkAAA==

atoms_aniso_u23:
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qdat:
AAAAAAAAAIEgAACCgAEAghArAEAFgIAHnBEFA1CEjdRhsBffQCtiWm6/dsfGxt3bTvV/T5zvv96fe/v17//b7ez3r/53//vv/9/bz/3//////X3/f/vt77/7//3/7/////7//z/7m7/df/22+nyz1qtx7tc610Xjfv9Ypc==


formula: Mn3 Zn Ca Si5 O15
compound: <missing>
formula_title: <missing>
a: 9.8393
b: 10.4941
c: 12.1977
alpha: 108.751
beta: 103.751
gamma: 82.091
cell_volume: 1155.872
crystal_density: 3.739
atoms_occupancy: 0
pub_title:
 Crystal chemistry of Zn-rich rhodonite ("fowlerite")
 Sample: 15-4020
 Note: see samples 15-4029 and 15-4024 for plausible typical fowlerite
 and rhodonite cation distributions

atoms_x:
EOb//1AKAAA4AwEAgBwEANifPACwfwwAKAINADg9DQAw/wwAiFcMAIDDBwBwOAcAIPIGAEBZBwCwHwgAENEFAEDvBwDgswcA0PAHAGCOBwBAYAoAcMIJAHANCgAQhwkA4N8IAA==

atoms_y:
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atoms_z:
YPEIAJAYGwDwfiwAoE8BAGiPEgBInjcAaOMnAFBEIAB40g8AsIkHAKBnAgBApxMAwKIaALC+LAAgEDQAUMsHAKAKNwBgPiUAgOMjAPD6CgCQdy8AIGMiAMCCFwAwcg0AcLw8AA==

atoms_u_iso:
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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:
IBwAACAcAADgFQAAIBwAAFB4AAAQDgAAABkAAJAaAACAJQAAgAwAAHAwAADwIwAAoA8AAPA8AABgIgAAsB0AAKAoAABwFwAA8PH//6APAADgFQAAkJcAAFBGAABgVAAAAAAAAA==

atoms_aniso_u13:
gCUAAJAaAAAwKgAAYPD//4BXAACADAAAkBoAAOAVAADgFQAAQB8AALAEAADAEgAAsAQAACA1AADwIwAAgAwAANAgAAAwEQAAcDAAAHAXAABwMAAAYAkAAMASAABAOAAAABkAAA==

atoms_aniso_u23:
sAQAAJABAAAgAwAAgNr//3D+//+g9v//wPn//7AEAADQBwAAEA4AALAEAADQ7v//ENz//yAcAACgDwAAgAwAAEC7//+g3f//MEMAAHDM///QBwAAYPD//6D2//+wNgAAcBcAAA==

qdat:
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formula: Mn3 Zn Ca Si5 O15
compound: <missing>
formula_title: <missing>
a: 9.8337
b: 10.4987
c: 12.1966
alpha: 108.699
beta: 103.597
gamma: 82.221
cell_volume: 1156.834
crystal_density: 3.736
atoms_occupancy: 0
pub_title:
 Crystal chemistry of Zn-rich rhodonite ("fowlerite")
 Sample: 15-4027
 Note: see samples 15-4029 and 15-4024 for plausible typical fowlerite
 and rhodonite cation distributions

atoms_x:
2Ov//ygKAAAwAQEAIAkEAMigPABQgAwAOAENADg4DQBQ+AwAyF0MABDFBwCQOwcA8PkGAGBcBwBQFggAcNoFACDsBwDwqAcAMOEHAGCOBwDQYQoAIMcJAKAFCgCgiAkAwNwIAA==

atoms_y:
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atoms_z:
aPMIAIAeGwBQgywAOFgBAEB2EgCgoDcA0OknADBLIADo2g8A4JAHABBmAgAAoRMAUKQaAJC7LAAQGzQAkNEHAFAPNwDgSiUAYPkjACAMCwCQdy8AoFYiALCNFwBQdQ0AkL88AA==

atoms_u_iso:
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atoms_aniso_u11:
gIkAAOCSAACwmgAAECEBALCzAABwewAAQIMAAICJAAAAfQAA0J0AAJB+AABAagAAMKcAAPCgAADQtgAAsMwAAIDUAAAwwAAAEL0AAPC5AACA1AAAsMwAAPC5AADwbgAAgHAAAA==

atoms_aniso_u22:
MHUAABCkAADAjwAAcHsAAHARAQBwewAA4HkAAJCXAACgjAAAkH4AAHDGAACQyQAAQLUAAIC7AABAnAAAYJ8AAFDcAADwoAAA8OsAALCzAACwmgAAwFcBAPBPAQDAwQAAcMYAAA==

atoms_aniso_u33:
IGcAAABkAADgYAAAUEYAAAAsAQBQRgAAkEwAAJBMAADQUgAAMFwAAOB5AABwrQAAAH0AAODEAABAnAAAcK0AAOCSAABwlAAAUMMAAIC7AADgYAAAgNQAALA2AABQkQAAwEQAAA==

atoms_aniso_u12:
YCIAAFAtAACwHQAAIBwAANCdAADwCgAAQB8AADAqAACwNgAAgCUAALAdAADQOQAAoCgAAKBzAADgRwAAAEsAAHBJAACgKAAAcOX//zARAAAQDgAAcN8AANBSAAAggAAAwOD//w==

atoms_aniso_u13:
8DwAACA1AACgQQAAQAYAAMB2AAAAMgAAsDYAADAqAADAKwAAoEEAACADAAAQJwAAoCgAAHBJAAAAZAAAkEwAADAqAACAJQAA4BUAAIA+AADQUgAAcDAAACA1AADQOQAAYCIAAA==

atoms_aniso_u23:
wPn//6D2//8gAwAA4Mr//xD1//8Q9f//YAkAANAHAABABgAAEA4AAGDX//+Q6P//MN///wAyAABgIgAAwBIAABD1//9gvv//EEAAACDq//8w+P//EPX//9AHAABQFAAAIAMAAA==

qdat:
AAAAAAAAAIEgAACCgAEAgQgbAEAFwEAHlgmFg6hCS2xxWBK/oClxPVZV8mPlY23tp7q/q85X377Lf/ff///P97577/9b/3+3/+//5///3+/+//a//53//9//f37/87f/vf/3Vz3v/373/+//u+8u93/8frX73PFVV//mGX==


formula: Mn3 Zn Ca Si5 O15
compound: <missing>
formula_title: <missing>
a: 9.8640
b: 10.5237
c: 12.2180
alpha: 108.727
beta: 103.705
gamma: 82.082
cell_volume: 1164.330
crystal_density: 3.712
atoms_occupancy: 0
pub_title:
 Crystal chemistry of Zn-rich rhodonite ("fowlerite")
 Sample: 15-4028
 Note: see samples 15-4029 and 15-4024 for plausible typical fowlerite
 and rhodonite cation distributions

atoms_x:
AOz//4gOAABoBQEA8AYEAHiqPAAggwwAwAANAJBJDQD4Dg0AiGEMAGDABwBAQAcAcO0GAKBJBwCQHAgAUNcFACDsBwBgpwcA4P4HAKCtBwCgaQoAUL8JAOAkCgCwlgkAkOQIAA==

atoms_y:
GOYBAGizBwBQdgwAeBMQANjaFQAYbRsAwFsWALBjIwBY4x4AWMMqACBoBAAQoAkA4FU4ALDMAABQOTAAAMgyAACIEwCAZw4AIHgrAHA8FwDgmRwAAAccAKCtIADwMycAsA0kAA==

atoms_z:
OPYIAMgcGwBwgSwAIFIBAACsEgCgmzcAoOInAHhEIAAg1Q8AoI8HAFBsAgAQrxMAUKQaAFC1LACQDjQAQNYHAPAFNwBgPiUAANcjAMACCwCQdy8AsGQiAHCHFwAwcg0AEL08AA==

atoms_u_iso:
IGcAACBnAAAgZwAAYJ8AAGCfAACwTwAAcEkAAHBJAABgVAAAYFQAADB1AACgcwAAwHYAAOB5AADgeQAAgIkAAMCPAAAAfQAAgKIAAGCfAAAwdQAAUJEAAMCPAADgeQAAkH4AAA==

atoms_aniso_u11:
gFcAAIBXAABQXwAAgO0AAOB5AADQOQAAQDgAAHAwAABAOAAAMEMAANA5AABAHwAAUEYAAPA8AAAgTgAAIIAAAJCXAACQfgAAYIYAACCAAADgeQAAwHYAANCEAADAdgAAAGQAAA==

atoms_aniso_u22:
sGgAAHB7AAAQcgAAsIEAACCyAACwaAAA4GAAANBrAADgeQAAcGIAANCdAADAqAAAkJcAACCZAAAQiwAAYG0AAFCRAAAggAAAAJYAAGC4AAAwjgAAgNQAABDvAABgnwAAkJcAAA==

atoms_aniso_u33:
AH0AANBrAABAagAAUF8AAJDiAADARAAAkEwAAMBEAABgVAAAwF0AANCEAADQnQAAQIMAAACvAACgjAAAoL4AAOCSAADgeQAA0LYAAOCSAABQXwAAQJwAAOBHAACQfgAAEFkAAA==

atoms_aniso_u12:
gCUAAIAlAAAAGQAAQB8AAOBgAACgDwAAYCIAAJAaAACgKAAAsB0AAIAlAABgOwAAMCoAAMBEAAAAGQAAYDsAAIAlAABAHwAAkBoAAPAKAAAgHAAAoHMAAHAwAACgWgAA8PH//w==

atoms_aniso_u13:
oCgAAGAiAAAwKgAAgPP//9BSAACgDwAAkBoAAOAVAABwFwAAYCIAAAAZAABgIgAA8AoAADAqAABgIgAAgD4AAKAoAACADAAAADIAAJAaAADQOQAAQB8AALAdAADgLgAA4BUAAA==

atoms_aniso_u23:
AAAAAHD+//9Q+///QNT//zD4//+A8///UPv//3D+//8AAAAAgAwAAJABAAAAAAAA0O7//7AEAACg9v//cBcAAMDH//8Qw///8CMAAKDE//8wEQAAUOL//8Dg//9QFAAAkAEAAA==

qdat:
AAAAAAAAAQEgAACCgAEAghArAMAHgIAHnBEFAzCEjdxhsBXfQDpiem5vVsfGxt/bTnd/T5zvd/+fe//dv/+b6+z3//63//vv/99/z/f///9/fd3/93v97//7f73+7v//9/7//zf///9f//227nz797tRyvc+1UVTfv/Ypc==


formula: Mn4.292 Fe.4 Ca.3 Mg.1 Zn.005 Si5 O15
compound: <missing>
formula_title: <missing>
a: 9.8793
b: 10.5298
c: 12.2257
alpha: 108.744
beta: 103.752
gamma: 82.030
cell_volume: 1167.144
crystal_density: 3.718
pub_title:
 Crystal chemistry of Zn-rich rhodonite ("fowlerite")
 Sample: 15-4029
 Note: this is a plausible typical cation distribution for rhodonite

atoms_sites:
["Mn1", "Fe1", "Ca1", "Mn2", "Fe2", "Ca2", "Mn3", "Ca3", "Fe3", "Mn4", "Mg4", "Fe4", "Zn4", "Mn5", "Ca5", "Fe5", "Si1", "Si2", "Si3", "Si4", "Si5", "OA1", "OA2", "OA3", "OA4", "OA5", "OA6", "OB1", "OB2", "OB3", "OB4", "OC1", "OC2", "OC3", "OC4", "OC5"]

atoms_x:
aO3//2jt//9o7f//EA4AABAOAAAQDgAAaAUBAGgFAQBoBQEAsAoEALAKBACwCgQAsAoEAECrPABAqzwAQKs8ADCCDADwAg0ACE8NAHgWDQAoYgwAUMsHAIBGBwDA6AYA8EQHAAAbCABQ1wUAIOwHABCsBwDwDAgAkLgHABBoCgCAtwkAQC4KANCZCQBA6QgA

atoms_y:
uOYBALjmAQC45gEAEKwHABCsBwAQrAcAmH4MAJh+DACYfgwAABMQAAATEAAAExAAABMQADDxFQAw8RUAMPEVAMhsGwCoXxYAWGsjAMDfHgA4wCoAIGgEAPCcCQBwVzgAENYAAJA/MADgxDIAAIgTAMBtDgCghCsA4DoXABCSHABQGxwA0KUgABA3JwCQCiQA

atoms_z:
sPYIALD2CACw9ggAgBkbAIAZGwCAGRsA8H4sAPB+LADwfiwAUE8BAFBPAQBQTwEAUE8BAOC8EgDgvBIA4LwSAHCZNwDQ3ycAeD8gANDPDwDgiwcAcG8CAMCzEwDgpRoAkLssAJAONAAg0wcA0AI3AJA2JQAwzyMAEP4KAHB0LwDwaiIAoH8XAPBrDQAwtjwA

atoms_occupancy:
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atoms_u_iso:
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atoms_aniso_label:
["Mn1", "Fe1", "Ca1", "Mn2", "Fe2", "Ca2", "Mn3", "Ca3", "Fe3", "Mn4", "Mg4", "Fe4", "Zn4", "Mn5", "Ca5", "Fe5", "Si1", "Si2", "Si3", "Si4", "Si5", "OA1", "OA2", "OA3", "OA4", "OA5", "OA6", "OB1", "OB2", "OB3", "OB4", "OC1", "OC2", "OC3", "OC4", "OC5"]

atoms_aniso_u11:
sGgAALBoAACwaAAA4GAAAOBgAADgYAAAoHMAAKBzAACgcwAAsP4AALD+AACw/gAAsP4AALCBAACwgQAAsIEAAFBGAABQRgAAMEMAAOBHAABgVAAAQFEAADBDAAAQWQAA8FUAAMBdAAAAfQAAIJkAACCAAAAAfQAAYJ8AAJB+AADwbgAAoHMAAEBqAACAcAAA

atoms_aniso_u22:
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atoms_aniso_u33:
MI4AADCOAAAwjgAAAH0AAAB9AAAAfQAAAH0AAAB9AAAAfQAAgHAAAIBwAACAcAAAgHAAACDLAAAgywAAIMsAAIBXAACgWgAAYFQAAABkAABgbQAAkJcAAPCgAAAQpAAAAK8AAKClAACwzAAAAK8AAKCMAABguAAAMI4AALBoAABgnwAAUF8AAACWAAAQcgAA

atoms_aniso_u12:
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atoms_aniso_u13:
wBIAAMASAADAEgAAQAYAAEAGAABABgAAwBIAAMASAADAEgAAsNL//7DS//+w0v//sNL//5AzAACQMwAAkDMAABD1//8AAAAAUPv//wAAAAAgAwAAEPX///AKAACgDwAAEA4AANAHAADAEgAAgAwAAPDx//8gHAAA8AoAANAHAAAw+P//QAYAAHAXAAAgAwAA

atoms_aniso_u23:
UPv//1D7//9Q+///4Pz//+D8///g/P//4Pz//+D8///g/P//kM///5DP//+Qz///kM///6D2//+g9v//oPb//4Dz//8Q9f//4Pz//6D2//9ABgAA4Pz//2AJAABA7f//EPX//yDq//8QDgAAYL7//wC1//8wEQAA0Lz//3AXAABQ4v//kOj//4AMAAAgAwAA

qdat:
AAAAAAAAAQEgAACCgAEAghArAMAHgIANnBMFA1CEjdRisCXfQDJiWq6u5sfGz9vbSvW3T73Wvf6u8+t7//e+/Vz3v/63vf//////j////q9++9//////////33/73f////v7/39/v/////tf9vTnvXbi3K935svFv/axSY==


formula: Mn3 Zn Ca Si5 O15
compound: <missing>
formula_title: <missing>
a: 9.8719
b: 10.5262
c: 12.2214
alpha: 108.743
beta: 103.728
gamma: 82.049
cell_volume: 1165.605
crystal_density: 3.708
atoms_occupancy: 0
pub_title:
 Crystal chemistry of Zn-rich rhodonite ("fowlerite")
 Sample: 15-4040
 Note: see samples 15-4029 and 15-4024 for plausible typical fowlerite
 and rhodonite cation distributions

atoms_x:
OOv//3ANAAAIBgEAeAsEAOioPABAhgwAsAENALBMDQAwDg0AwGAMADDIBwDQQQcAsPMGAOBPBwBAIQgAoNIFANDwBwCgrQcAkAMIAFCyBwBgYwoA8LUJAAAoCgCwlgkAENgIAA==

atoms_y:
COcBABCxBwAAdgwAmBEQAPjdFQDgbRsAkF4WANBhIwCw4B4A4MIqAGBuBADgpwkAAFk4ABDWAAAwNjAAkMkyAPB5EwCAZw4AIHgrAOA6FwAQkhwAsAscAICqIADAOycA4AUkAA==

atoms_z:
mPUIAAAcGwAIgCwAUE8BAJCtEgCAnTcAgOQnAGBDIABw0A8AYI4HAJByAgAwshMAcKcaACC9LABQCDQAsNQHACD+NgDwPyUAUNIjAFAECwDgci8AYGkiADCBFwAQbw0AwLc8AA==

atoms_u_iso:
wF0AAABkAADgYAAAAJYAAACWAABwSQAAoEEAAMBEAAAASwAAsE8AAHB7AAAgZwAAEHIAAGBtAABwewAA0IQAAKCMAACwgQAA8KAAAPCgAACAcAAAcHsAANCEAADwbgAAcHsAAA==

atoms_aniso_u11:
8G4AAKBzAACQfgAA8AQBAACWAACwTwAAAEsAACBOAACQTAAAEFkAAHBiAAAwQwAAcEkAADBcAAAQcgAAEKQAAIC7AACAogAAkJcAAODEAACgpQAAYIYAAECcAADgeQAAkJcAAA==

atoms_aniso_u22:
8FUAANBrAACgWgAAEHIAACCZAACgWgAAcEkAABBZAACQZQAAgFcAALCaAAAAfQAAoHMAAKBzAACgjAAAcEkAANCdAADAdgAAoIwAABCkAADwhwAAUKoAAGDRAAAgmQAAgIkAAA==

atoms_aniso_u33:
oHMAANBrAAAAZAAA0FIAAGDRAADgRwAA0FIAAIA+AADQUgAAEFkAANCEAACgjAAAkJcAABCkAABQkQAA4MQAADB1AADQhAAAMKcAAECDAADwPAAA0IQAAPA8AADwbgAAkEwAAA==

atoms_aniso_u12:
oEEAAFBGAAAgNQAAwEQAABByAAAgNQAAwEQAAEA4AACQTAAAMEMAAOBHAACwTwAAgD4AAJBlAADwVQAAoFoAAKBBAACAPgAAcBcAAEAfAAAAMgAAAH0AACBOAABgbQAAgCUAAA==

atoms_aniso_u13:
YDsAALA2AADQOQAAcP7//+BgAAAQJwAAoCgAAEAfAADwIwAA4C4AAJAaAAAQJwAA0AcAAFBGAABwMAAAgFcAAFAtAACQGgAAoEEAAMArAAAwQwAAIDUAAMArAACgQQAAECcAAA==

atoms_aniso_u23:
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qdat:
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formula: Mn3 Zn Ca Si5 O15
compound: <missing>
formula_title: <missing>
a: 9.8905
b: 10.5423
c: 12.2294
alpha: 108.739
beta: 103.773
gamma: 82.050
cell_volume: 1170.176
crystal_density: 3.694
atoms_occupancy: 0
pub_title:
 Crystal chemistry of Zn-rich rhodonite ("fowlerite")
 Sample: 15-4041
 Note: see samples 15-4029 and 15-4024 for plausible typical fowlerite
 and rhodonite cation distributions

atoms_x:
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atoms_z:
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formula: Mg3 Si4 O13 H4
compound: <missing>
pub_title: The 10 A phase: Crystal structure from single-crystal X-ray data
formula_title: Mg3Si4O10(OH)2*H2O
a: 5.323
b: 9.203
c: 10.216
alpha: 90
beta: 99.98
gamma: 90
cell_volume: 492.884
crystal_density: 2.677
atoms_sites: ["Mg1", "Mg2", "Si", "O1", "O2", "O3", "O-H4", "Wat5"]
atoms_x: AAAAAAAAAACANCMAEF8xALAAIgCwZSYAUBYIAAAAAAA=
atoms_y: gIQeAHDfMgAgKwoA8C0PAAAAAACgNwoAAAAAAAAAAAA=
atoms_z: gIQeAICEHgCQEQ4A8K8KADC2CgBQzxcAMBcYAAAAAAA=
atoms_occupancy: 0
atoms_u_iso: QBkBAIA4AQBAGQEAwFcBACBIAQBg6gAAAPoAAOAKBgA=
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
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qdat:
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formula: K.954 (Ca1.02 Na.98) Mg5 Si8 O24 H2
compound: <missing>
formula_title: <missing>
a: 10.0439
b: 17.9883
c: 5.2708
alpha: 90
beta: 104.803
gamma: 90
cell_volume: 920.683
crystal_density: 3.004
atoms_sites: ["KA", "Ca4", "Na4", "Mg1", "Mg2", "Mg3", "Si1", "Si2", "O1", "O2", "O-H3", "O4", "O5", "O6", "O7"]
atoms_x: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA4MgQAPBTEQDA6AYAEC8HAGDGBgBg6RUAINAUAIDAFACAQxQA
atoms_y: gIQeABDzEAAQ8xAAQH4FAGD5CgAAAAAAsDEFAHBxCgAQVAUAoIIKAAAAAABAEA8AINMHAIAUBwAAAAAA
atoms_z: AAAAAICEHgCAhB4AgIQeAAAAAAAAAAAAoGsSANANMQDgXQ0AQBEsAKABLACAlTAAQPsFAOBQJAAgXxIA
atoms_occupancy: QDo6AMAgHwBA6B0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0A
atoms_u_iso: UBICAKg4AQCoOAEA+FwAAMh4AAAgUwAA8GQAAOhiAACQiAAAuH4AALh+AAAAvgAAKKoAAECmAAAQuAAA
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:
 X-ray Rietveld refinement and FTIR spectra of synthetic (Si,Ge)-richterites
 Sample: KGe0Ri, K in A site, Si100Ge0

qdat:
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formula: Na1.87 Ca.98 Mg5 Si8 O24 H2
compound: <missing>
formula_title: <missing>
a: 9.9032
b: 17.9885
c: 5.2692
alpha: 90
beta: 104.250
gamma: 90
cell_volume: 909.793
crystal_density: 2.973
atoms_x: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA8AgRAKBxEQAAUwcAICQHACCnBgAgyhUAgD0VACDQFADgsBQA
atoms_y: gIQeADD2EAAw9hAAYGgFABDlCgAAAAAAwCYFAIBmCgBQQQUAQGAKAAAAAAAACg8AIOwHABAWBwAAAAAA
atoms_z: AAAAAICEHgCAhB4AgIQeAAAAAAAAAAAAYAESAGDEMADgXQ0A4CAsAMDSKwAgpTAAYMwFACDzIwAAFxEA
atoms_occupancy: QOEzAEDoHQDAIB8AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0A
atoms_u_iso: UBICAKg4AQCoOAEA+FwAAMh4AAAgUwAA8GQAAOhiAACQiAAAuH4AALh+AAAAvgAAKKoAAECmAAAQuAAA
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:
 X-ray Rietveld refinement and FTIR spectra of synthetic (Si,Ge)-richterites
 Sample: Ge0Ri, Na in A site, Si100Ge0

atoms_sites:
["NaA", "Ca4", "Na4", "Mg1", "Mg2", "Mg3", "Si1", "Si2", "O1", "O2", "O-H3", "O4", "O5", "O6", "O7"]

qdat:
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formula: Na1.54 Ca.9 Mg5 (Si5.96 Ge2.04) O24 H2
compound: <missing>
formula_title: <missing>
a: 10.0144
b: 18.071
c: 5.3058
alpha: 90
beta: 104.625
gamma: 90
cell_volume: 929.081
crystal_density: 3.198
atoms_x: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA0B4RANAeEQDwbBEA8GwRAIAUBwBA9QYA4IcGACDKFQBAHhUAINAUAOCwFAA=
atoms_y: gIQeAOD6EADg+hAA4FsFABDlCgAAAAAAoCMFAKAjBQAQgQoAEIEKADA+BQAAWgoAAAAAADAbDwAwEwgA4OsGAAAAAAA=
atoms_z: AAAAAICEHgCAhB4AgIQeAAAAAAAAAAAA4D8SAOA/EgBQGjEAUBoxACB9DQBgXywAwNIrAGBHMAAgpwYAoK4kAIBbEAA=
atoms_occupancy: ANsaAEB3GwDAkSEAAAk9AAAJPQAACT0AwKgyAEBgCgCASCgAgMAUAAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQA=
atoms_u_iso: UBICAKg4AQCoOAEA+FwAAMh4AAAgUwAA8GQAAPBkAADoYgAA6GIAAJCIAAC4fgAAuH4AAAC+AAAoqgAAQKYAABC4AAA=
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:
 X-ray Rietveld refinement and FTIR spectra of synthetic (Si,Ge)-richterites
 Sample: Ge2Ri, Si74Ge26

atoms_sites:
["NaA", "Ca4", "Na4", "Mg1", "Mg2", "Mg3", "Si1", "Ge1", "Si2", "Ge2", "O1", "O2", "O-H3", "O4", "O5", "O6", "O7"]

qdat:
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