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Richard M. Ibberson, Michael Prager

Temperature-dependent crystal structure analysis of methyl iodide by high-resolution neutron powder diffraction

Keywords: Powder diffraction structure analysis, Neutron scattering, Rotation barrier, TLS, Methyl iodide

High resolution neutron powder diffraction data recorded at 4.5 K confirm the orthorhombic structure of methyl iodide reported previously by Kawaguchi et al. (1973) from an X-ray single-crystal study at 193 K. The present study, using neutron powder diffraction, provides more precise structural parameters and reliable atomic co-ordinates for the hydrogen atoms enabling the methyl group libration to be analysed as a function of temperature up to 193 K.

Zeitschrift für Kristallographie, Oldenbourg Wissenschaftsverlag

Print ISSN: 0044-2968
Volume: 222, 08/2007
Pages: 416 - 419

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