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Kyanite |
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Yang H, Downs R T, Finger L W, Hazen R M, Prewitt C T |
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American Mineralogist 82 (1997) 467-474 |
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Compressibility and crystal structure of kyanite, Al2SiO5, at high pressure |
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Sample: at P = 0.0 GPa, in air |
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_database_code_amcsd 0001892 |
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7.1200 7.8479 5.5738 89.974 101.117 106.000 P-1 |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Al1 .32533 .70412 .45812 .00143 .00142 .00204 .00038 .00040 .00038 |
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Al2 .29740 .69882 .95040 .00169 .00099 .00210 .00038 .00049 .00000 |
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Al3 .09980 .38615 .64043 .00157 .00080 .00270 .00033 .00051 .00032 |
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Al4 .11205 .91750 .16469 .00168 .00095 .00276 .00054 .00056 .00028 |
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Si1 .29625 .06488 .70657 .00114 .00081 .00219 .00028 .00049 .00001 |
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Si2 .29102 .33168 .18937 .00122 .00084 .00196 .00032 .00027 .00005 |
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O1 .10933 .14685 .12866 .00227 .00120 .00378 .00039 .00028 -.00010 |
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O2 .12287 .68535 .18113 .00178 .00096 .00299 .00040 .00063 .00021 |
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O3 .27507 .45443 .95474 .00225 .00129 .00301 .00051 .00031 .00019 |
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O4 .28353 .93570 .93567 .00215 .00122 .00318 .00066 .00099 .00033 |
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O5 .10836 .15210 .66671 .00162 .00146 .00343 .00052 .00087 .00032 |
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O6 .12192 .63063 .63939 .00176 .00134 .00245 .00054 .00047 .00002 |
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O7 .28226 .44512 .42868 .00219 .00147 .00290 .00063 .00094 -.00021 |
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O8 .29156 .94684 .46574 .00234 .00140 .00288 .00077 .00049 -.00010 |
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O9 .50074 .27519 .24405 .00177 .00192 .00281 .00078 .00062 .00015 |
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O10 .50154 .23099 .75595 .00166 .00165 .00261 .00078 .00051 .00014 |
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