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Coesite |
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Angel R J, Shaw C S J, Gibbs G V |
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Physics and Chemistry of Minerals 30 (2003) 167-176 |
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Compression mechanisms of coesite |
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Sample: X1air, in air, P = 0.0001 GPa |
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_database_code_amcsd 0008746 |
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7.1366 12.3723 7.1749 90 120.330 90 C2/c |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Si1 .14023 .10836 .07236 .531 .00373 .00069 .00380 -.00024 .00182 -.00013 |
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Si2 .50676 .15804 .54067 .548 .00418 .00080 .00357 -.00009 .00210 -.00003 |
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O1 0 0 0 .840 .0058 .00090 .0069 -.00108 .0031 -.00067 |
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O2 .5 .11637 .75 .784 .0067 .00143 .0039 0 .0034 0 |
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O3 .2663 .12316 .9402 .868 .0056 .00157 .0066 -.00057 .0042 -.00010 |
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O4 .3110 .10382 .3280 .923 .0066 .00152 .0036 -.00068 .0013 -.00045 |
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O5 .0173 .21194 .4789 .840 .0058 .00074 .0076 -.00004 .0033 .00015 |
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