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Methane-hydrate |
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Kirchner M T, Boese R, Billups W E, Norman L R |
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Journal of the American Chemical Society 126 (2004) 9407-9412 |
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Gas hydrate single-crystal structure analyses |
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Sample: (CH4)8(H2O)46, T = 123 K |
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Locality: synthetic |
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_database_code_amcsd 0019155 |
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11.877 11.877 11.877 90 90 90 Pm3n |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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O1 0 .30860 .11683 .0291 .0304 .0287 .0281 0 0 -.0004 |
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H1 0 .325 .051 .50 .044 |
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H2 .051 .271 .134 .50 .044 |
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H3 0 .360 .150 .50 .044 |
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O2 .18345 .18345 .18345 .0286 .0286 .0286 .0286 -.0011 -.0011 -.0011 |
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H4 .216 .216 .216 .50 .043 |
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H5 .162 .128 .220 .50 .043 |
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O3 0 .5 .25 .0292 .0274 .0274 .0328 0 0 0 |
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H6 0 .447 .211 .50 .044 |
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C1 0 0 0 .0518 .0518 .0518 .0518 0 0 0 |
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H7 0 .049 .086 .33 .078 |
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C2 .25 .5 0 .113 .080 .130 .130 0 0 0 |
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H8 .2986 .5 .0687 .50 .170 |
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H9 .2014 .5 .0687 .50 .170 |
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Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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