Neutron diffraction study on the Xe behavior in clathrate hydrate analyzed by Rietveld/maximum entropy method

Igawa, Naoki   ; Taguchi, Tomitsugu; Hoshikawa, Akinori*; Yamauchi, Hiroki   ; Birumachi, Atsushi; Ishii, Yoshinobu*

The neutron scattering length density distributions of Xe deuterohydrate were analyzed by Rietveld and MEM analysis applied to neutron powder diffraction data to clarify the Xe behavior in the temperature range from 10 to 245 K. A spherical positive scattering length density attributed to the Xe atom was observed at the center of the small cage of the hydrate. On the other hand, an ellipsoid shaped scattering length density distribution at the center of the large cage was observed; the major axis of the ellipsoid scattering length density was directed toward the center of a hexagonal facet of the large cage. The distributions of the Xe atom in the both cages were almost the same at any temperature.