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Hydrate - ethylene oxide |
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McMullan R K, Jeffery G A |
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Journal of Chemical Physics 42 (1965) 2725-2732 |
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Polyhedral clathrate hydrates. IX. Structure of ethylene oxide hydrate |
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Sample: T = -25 C, 6.4C2H4O*46H2O |
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_database_code_amcsd 0012975 |
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12.03 12.03 12.03 90 90 90 Pm3n |
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atom x y z occ Biso |
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C2O6 0 0 0 .2 11.0 |
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C4 0 .2552 .4388 .25 10.0 |
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C4A .0591 .2448 .4842 .125 10.0 |
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O5 .1527 .5 0 1/6 12.0 |
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O5A 0 .3438 .4735 1/6 12.0 |
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Ow1 .18362 .18362 .18362 3.53 |
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Ow2 0 .30710 .11819 3.49 |
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Ow3 0 .5 .25 3.42 |
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H7 .2350 .2350 .2350 .5 6.0 |
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H8 0 .4233 .1967 .5 6.0 |
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H9 0 .3767 1/6 .5 6.0 |
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H10 0 .3350 .0350 .5 6.0 |
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H11 .0750 .2483 .1350 .5 6.0 |
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H12 .1033 .2217 .1633 .5 6.0 |
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