4.1 Article

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

Journal

CANADIAN JOURNAL OF PHYSICS
Volume 81, Issue 1-2, Pages 431-438

Publisher

NATL RESEARCH COUNCIL CANADA
DOI: 10.1139/P03-022

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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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