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Mn3O4 |
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Ross C R, Rubie D C, Paris E |
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American Mineralogist 75 (1990) 1249-1252 |
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Rietveld refinement of the high-pressure polymorph of Mn3O4 |
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_database_code_amcsd 0001332 |
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9.5564 9.7996 3.0240 90 90 90 Pmab |
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atom x y z Biso |
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Mn2+ .75 .1461 .6845 .55 |
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Mn3+ .0696 .1147 .2034 .25 |
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O1 0 .25 .6204 .18 |
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O2 .25 .1999 .1899 .18 |
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O3 .1112 .9694 .7956 .18 |
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Topaz |
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Wunder B, Rubie D C, Ross C R, Medenbach O, Seifert F, Schreyer W |
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American Mineralogist 78 (1993) 285-297 |
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Synthesis, stability, and properties of Al2SiO4(OH)2: A fully hydrated |
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analogue of topaz |
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_database_code_amcsd 0001552 |
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4.7238 8.9473 8.3900 90 90 90 Pbnm |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Al -.0948 .1322 .0798 .0098 .0089 .0137 .0002 .0002 .0000 |
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Si .4019 -.0595 .25 .0090 .0088 .0145 .0000 0 0 |
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O1 -.2897 .0261 .25 .0088 .0095 .0150 -.0006 0 0 |
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O2 .0554 .2558 .25 .0108 .0102 .0150 -.0003 0 0 |
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O3 .2142 -.0069 .0940 .0101 .0100 .0136 .0010 .0006 .0000 |
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OH -.4103 .2508 .0665 .0106 .0122 .0167 .0021 .0001 .0016 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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(Mg.95,Fe.05)SiO3 |
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Jephcoat A P, Hriljac J A, McCammon C A, O'Neill H St C, Rubie D C, Finger L W |
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American Mineralogist 84 (1999) 214-220 |
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High-resolution synchrotron X-ray powder diffraction and Rietveld structure |
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refinement of two (Mg.95,Fe.05)SiO3 perovskite samples synthesized under |
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different oxygen fugacity conditions |
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Sample PV-A |
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_database_code_amcsd 0002090 |
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4.7839 4.9294 6.9000 90 90 90 Pbnm |
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atom x y z occ Uiso |
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Mg .5068 .5557 .25 .95 .0061 |
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Fe .5068 .5557 .25 .05 .0061 |
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Si .5 0 .5 .0042 |
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O1 .1032 .4614 .25 .0040 |
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O2 .1933 .2031 .5472 .0043 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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(Mg.95,Fe.05)SiO3 |
| |
Jephcoat A P, Hriljac J A, McCammon C A, O'Neill H St C, Rubie D C, Finger L W |
|
American Mineralogist 84 (1999) 214-220 |
|
High-resolution synchrotron X-ray powder diffraction and Rietveld structure |
|
refinement of two (Mg.95,Fe.05)SiO3 perovskite samples synthesized under |
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different oxygen fugacity conditions |
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Sample PV-B |
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_database_code_amcsd 0002091 |
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4.78517 4.93227 6.90484 90 90 90 Pbnm |
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atom x y z occ Uiso |
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Mg .5113 .5533 .25 .96 .0088 |
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Fe .5113 .5533 .25 .06 .0088 |
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Si .5 0 .5 .0048 |
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O1 .1030 .4650 .25 .0040 |
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O2 .1937 .2009 .5528 .0043 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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