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Melanophlogite |
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Gies H |
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Zeitschrift fur Kristallographie 164 (1983) 247-257 |
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Studies on clathrasils. III. Crystal structure of |
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melanophlogite, a natural clathrate compound of silica |
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_database_code_amcsd 0010856 |
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13.436 13.436 13.436 90 90 90 Pm3n |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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N56 .25 .5 0 .78 .243 1.010 .243 0 0 0 |
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C56 .25 .5 0 .22 .243 1.010 .243 0 0 0 |
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C5 0 0 0 .174 .174 .174 0 0 0 |
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Si1 0 .3098 .1142 1.711 .0259 .0193 .0198 0 0 -.0020 |
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Si2 .1826 .1826 .1826 1.721 .0218 .0218 .0218 -.0002 -.0002 -.0002 |
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Si3 .25 0 .5 1.429 .0127 .0208 .0208 0 0 0 |
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O1 .0963 .2465 .1360 4.882 .0536 .0673 .0646 .0322 -.0125 0.0107 |
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O2 0 .4056 .1813 4.780 .1022 .0368 .0426 0 0 -.0256 |
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O3 .3423 0 0 2.761 .0383 .0164 .0502 0 0 0 |
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O4 .25 .25 .25 5.811 .0736 .0736 .0736 -.0269 -.0269 -.0269 |
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