American Mineralogist Crystal Structure Database

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