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Hydrate - tetrahydrofuran |
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Jones C Y, Marshall S L, Chakoumakos B C, Rawn C J, Ishii Y |
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Journal of Physical Chemistry B107 (2003) 6026-6031 |
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Structure and thermal expansivity of tetrahydrofuran deuterate determined by |
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neutron powder diffraction |
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Sample: T = 140 K, host lattice |
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_database_code_amcsd 0013157 |
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17.150 17.150 17.150 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Uiso |
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O1 .125 .125 .125 .0232 |
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O2 .2186 .2186 .2186 .0232 |
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O3 .1798 .1798 .3713 .0232 |
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D4 .1862 .1862 .1862 .5 .0179 |
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D5 .1622 .1622 .1622 .5 .0179 |
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D6 .2069 .2069 .2690 .5 .0179 |
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D7 .1963 .1963 .3104 .5 .0179 |
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D8 .1417 .1417 .3702 .5 .0179 |
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D9 -.1685 -.0197 .1417 .5 .0179 |
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