Neutron powder diffraction studies as a function of temperature of structure II hydrate formed from propane

C.J. Rawn; A.J. Rondinone; B.C. Chakoumakos; S. Circone; L.A. Stern; S. H. Kirby; Y. Ishii

doi:10.1139/p03-022

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Neutron powder diffraction studies as a function of temperature of structure II hydrate formed from propane

C.J. Rawn·A.J. Rondinone·B.C. Chakoumakos·S. Circone·L.A. Stern·S. H. Kirby·Y. Ishii

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Abstract

Neutron powder diffraction data confirm that hydrate samples synthesized with propane crystallize as structure type II hydrate. The structure has been modeled using rigid-body constraints to describe C3H8 molecules located in the eight larger polyhedral cavities of a deuterated host lattice. Data were collected at 12, 40, 100, 130, 160, 190, 220, and 250 K and used to calculate the thermal expansivity from the temperature dependence of the lattice parameters. The data collected allowed for full structural refinement of atomic coordinates and the atomic-displacement parameters.

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C.J. Rawn, A.J. Rondinone, B.C. Chakoumakos, S. Circone, L.A. Stern, S. H. Kirby, Y. Ishii. 2003. Neutron powder diffraction studies as a function of temperature of structure II hydrate formed from propane. https://doi.org/10.1139/p03-022

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