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MgGeO3 |
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Hirose K, Kawamura K, Ohishi Y, Tateno S, Sata N |
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American Mineralogist 90 (2005) 262-265 |
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Stability and equation of state of MgGeO3 post-perovskite phase |
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Sample: P = 78.3 GPa, T = 300 K |
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Note: CaIrO3-type structure |
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_database_code_amcsd 0003733 |
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2.613 8.473 6.443 90 90 90 Cmcm |
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atom x y z |
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Mg 0 .2547 .25 |
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Ge 0 0 0 |
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O1 0 .9330 .25 |
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O2 0 .6256 .4383 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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MgGeO3 |
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Hirose K, Kawamura K, Ohishi Y, Tateno S, Sata N |
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American Mineralogist 90 (2005) 262-265 |
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Stability and equation of state of MgGeO3 post-perovskite phase |
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Sample: P = 78.3 GPa, T = 300 K |
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Note: CaIrO3-type structure, positional parameters from MD simulation |
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_database_code_amcsd 0003734 |
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2.613 8.473 6.443 90 90 90 Cmcm |
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atom x y z |
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Mg 0 .2550 .25 |
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Ge 0 0 0 |
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O1 0 .9220 .25 |
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O2 0 .6280 .4375 |
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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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K2CuSi4O10 |
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Kawamura K, Iiyama J T |
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Bulletin de Mineralogie 104 (1981) 387-395 |
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Crystallochemistry and thermochemistry of sodipotassic copper silicate Na2-2xK2xCuSi4O10 |
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_database_code_amcsd 0012073 |
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11.285 8.244 11.065 90 110.94 90 P2_1/m |
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atom x y z Biso |
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K1 .0281 .25 .0295 1.61 |
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K2 .0550 .25 .4432 1.00 |
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K3 .4570 .25 .5239 1.36 |
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K4 .4139 .25 .9171 1.21 |
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Cu .2120 .4969 .2886 .60 |
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Si1 .2508 .5653 .0149 .54 |
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Si2 .4643 .4410 .2288 .58 |
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Si3 .2608 .5564 .5967 .53 |
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Si4 .0896 .4406 .7492 .58 |
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O1 .4630 .25 .1924 1.33 |
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O2 .2709 .75 .5799 1.52 |
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O3 .0659 .25 .7117 1.65 |
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O4 .2346 .75 .9591 .97 |
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O5 .4026 .5317 .0874 .78 |
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O6 .1727 .5300 .1059 1.07 |
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O7 .0319 .4681 .2483 1.08 |
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O8 .3939 .4850 .3249 1.14 |
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O9 .2477 .4609 .4689 1.00 |
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O10 .1407 .5213 .6420 1.10 |
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O11 .3884 .4981 .7162 .94 |
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O12 .2066 .4452 .8891 .89 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
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View JMOL 3-D Structure
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MgSiO3 |
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Murakami M, Hirose K, Kawamura K, Sata N, Ohishi Y |
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Science 304 (2004) 855-858 |
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Post-perovskite phase transition in MgSiO3 |
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Sample: P = 121 GPa, T = 300 K |
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Note: CaIrO3-type structure from ab initio calculations using observed cell parameters |
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_database_code_amcsd 0015437 |
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2.456 8.042 6.093 90 90 90 Cmcm |
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atom x y z |
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Mg 0 .253 .25 |
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Si 0 0 0 |
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O1 0 .923 .25 |
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O2 0 .631 .436 |
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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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