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Structure of oxygen clathrate hydrate by neutron powder diffraction
Authors:J. S. Tse  Y. P. Handa  C. I. Ratcliffe  B. M. Powell
Affiliation:(1) Division of Chemistry, National Research Council of Canada, K1A 0R9 Ottawa, Ontario, Canada;(2) Atomic Energy of Canada Limited, Chalk River Nuclear Laboratories, K0J 1J0 Chalk River, Ontario, Canada
Abstract:Oxygen hydrate was prepared by reacting oxygen with deuteriated ice at high pressure. Its structure was examined with powder neutron diffraction. It was found to crystallize in the cubic space group
$$Fdbar 3m$$
witha=17.070(1) Å. The formation of the type II structure rather than type I can be attributed to the larger Langmuir constant of sorption for the oxygen molecules in the 12-hedral cages. The encaged oxygen molecules are orientationally disordered. A comparison of the oxygen thermal parameters in both cages suggests the existence of local potential minima in the 16-hedral cages.Published as NRCC 25940
Keywords:Hydrate  oxygen  structure  structure  neutron  diffraction
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