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MgSiO3 |
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Sugahara M, Yoshiasa A, Komatsu Y, Yamanaka T, Bolfan-Casanova N, Nakastuka A, Sasaki S, Tanaka M |
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American Mineralogist 91 (2006) 533-536 |
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Reinvestigation of the MgSiO3 perovskite structure at high pressure |
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Locality: synthetic |
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Sample: P = .0001 GPa |
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_database_code_amcsd 0004129 |
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4.7781 4.9305 6.8990 90 90 90 Pbnm |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mg .5141 .5560 .25 .47 .0058 .0052 .0069 .0006 .0000 .0000 |
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Si .5 0 .5 .27 .0035 .0034 .0032 -.0004 -.0003 -.0001 |
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O1 .1018 .4665 .25 .31 .0037 .0037 .0045 .0000 .0000 .0000 |
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O2 .1962 .2013 .5526 .38 .0047 .0050 .0048 .0004 .0006 .0003 |
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MgSiO3 |
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Sugahara M, Yoshiasa A, Komatsu Y, Yamanaka T, Bolfan-Casanova N, Nakastuka A, Sasaki S, Tanaka M |
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American Mineralogist 91 (2006) 533-536 |
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Reinvestigation of the MgSiO3 perovskite structure at high pressure |
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Locality: synthetic |
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Sample: P = 7.8 GPa |
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_database_code_amcsd 0004130 |
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4.722 4.880 6.825 90 90 90 Pbnm |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mg .5152 .5585 .25 .43 .0047 .0039 .0078 .0009 .0000 .0000 |
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Si .5 0 .5 .21 .0017 .0036 .0030 .0001 .0001 -.0007 |
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O1 .1040 .4646 .25 .25 .0032 .0032 .0032 .0000 .0000 .0000 |
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O2 .1926 .2012 .5531 .28 .0035 .0035 .0035 .0000 .0000 .0000 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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MgSiO3 |
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Sugahara M, Yoshiasa A, Komatsu Y, Yamanaka T, Bolfan-Casanova N, Nakastuka A, Sasaki S, Tanaka M |
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American Mineralogist 91 (2006) 533-536 |
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Reinvestigation of the MgSiO3 perovskite structure at high pressure |
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Locality: synthetic |
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Sample: P = 10.0 GPa |
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_database_code_amcsd 0004131 |
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4.7148 4.8741 6.8051 90 90 90 Pbnm |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mg .5153 .5582 .25 .36 .0033 .0041 .0063 .0005 .0000 .0000 |
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Si .5 0 .5 .24 .0019 .0040 .0031 .0002 .0007 -.0001 |
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O1 .1034 .4655 .25 .29 .0035 .0047 .0028 .0017 .0000 .0000 |
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O2 .1945 .2000 .5533 .30 .0047 .0030 .0037 -.0002 -.0002 .0002 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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MgSiO3 |
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Sugahara M, Yoshiasa A, Komatsu Y, Yamanaka T, Bolfan-Casanova N, Nakastuka A, Sasaki S, Tanaka M |
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American Mineralogist 91 (2006) 533-536 |
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Reinvestigation of the MgSiO3 perovskite structure at high pressure |
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Locality: synthetic |
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Sample: P = 15.0 GPa |
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_database_code_amcsd 0004132 |
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4.701 4.870 6.782 90 90 90 Pbnm |
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atom x y z Biso |
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Mg .5196 .5590 .25 .38 |
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Si .5 0 .5 .27 |
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O1 .1046 .4679 .25 .41 |
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O2 .1933 .2003 .5536 .39 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Phase-F |
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Kudoh Y, Nagase T, Sasaki S, Tanaka M, Kanzaki M |
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Physics and Chemistry of Minerals 22 (1995) 295-299 |
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Phase F, a new hydrous magnesium silicate synthesized at 1000 C |
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and 17 GPa: Crystal structure and estimated bulk modulus |
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Note: The authors withdrew this structure, it is not Phase-F |
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See PCM 24 (1997) 610 |
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_database_code_amcsd 0007918 |
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5.073 5.073 14.013 90 90 120 P6_3cm |
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atom x y z occ Biso |
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MgM1 .634 0 .321 .29 1.8 |
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SiM1 .634 0 .321 .29 1.8 |
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MgM2 .688 0 .176 .16 4.0 |
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SiM2 .688 0 .176 .16 4.0 |
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MgM3 0 0 -.026 .09 2.4 |
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SiM3 0 0 -.026 .09 2.4 |
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MgM4 1/3 2/3 -.001 .45 2.4 |
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SiM4 1/3 2/3 -.001 .45 2.4 |
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SiT1 0 0 .134 .48 1.9 |
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SiT2 2/3 1/3 .369 .18 .1 |
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O1 .357 0 .081 3.2 |
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O2 .661 0 -.088 4.3 |
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O3 1/3 2/3 .246 2.9 |
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O4 0 0 .2500 7.8 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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CaPtO3 |
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Ohgushi K, Matsushita Y, Miyajima N, Katsuya Y,Tanaka M, Izumi F, Gotou H, Ueda Y, Yagi T |
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Physics and Chemistry of Minerals 35 (2008) 189-195 |
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CaPtO3 as a novel post-perovskite oxide |
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_database_code_amcsd 0009131 |
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3.12607 9.91983 7.35059 90 90 90 Cmcm |
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atom x y z |
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Ca 0 .2500 .25 |
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Pt 0 0 0 |
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O1 .5 .4253 .25 |
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O2 .5 .1230 .0451 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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