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

Richard M. Ibberson; Michael Prager

doi:10.1524/zkri.2007.222.8.416

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

Richard M. Ibberson, Michael Prager

Research output: Contribution to journal › Article › peer-review

6 Scopus citations

Abstract

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 coordinates for the hydrogen atoms enabling the methyl group libration to be analysed as a function of temperature up to 193 K.

Original language	English
Pages (from-to)	416-419
Number of pages	4
Journal	Zeitschrift fur Kristallographie
Volume	222
Issue number	8
DOIs	https://doi.org/10.1524/zkri.2007.222.8.416
State	Published - 2007
Externally published	Yes

Funding

Acknowledgments. This work has been supported by CCLRC with the provision of neutron beam time.

Keywords

Methyl iodide
Neutron scattering
Powder diffraction structure analysis
Rotation barrier
TLS

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10.1524/zkri.2007.222.8.416

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title = "Temperature-dependent crystal structure analysis of methyl iodide by high-resolution neutron powder diffraction",

abstract = "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 coordinates for the hydrogen atoms enabling the methyl group libration to be analysed as a function of temperature up to 193 K.",

keywords = "Methyl iodide, Neutron scattering, Powder diffraction structure analysis, Rotation barrier, TLS",

author = "Ibberson, \{Richard M.\} and Michael Prager",

year = "2007",

doi = "10.1524/zkri.2007.222.8.416",

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T1 - Temperature-dependent crystal structure analysis of methyl iodide by high-resolution neutron powder diffraction

AU - Ibberson, Richard M.

AU - Prager, Michael

PY - 2007

Y1 - 2007

N2 - 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 coordinates for the hydrogen atoms enabling the methyl group libration to be analysed as a function of temperature up to 193 K.

AB - 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 coordinates for the hydrogen atoms enabling the methyl group libration to be analysed as a function of temperature up to 193 K.

KW - Methyl iodide

KW - Neutron scattering

KW - Powder diffraction structure analysis

KW - Rotation barrier

KW - TLS

UR - https://www.scopus.com/pages/publications/34547556555

U2 - 10.1524/zkri.2007.222.8.416

DO - 10.1524/zkri.2007.222.8.416

M3 - Article

AN - SCOPUS:34547556555

SN - 0044-2968

VL - 222

SP - 416

EP - 419

JO - Zeitschrift fur Kristallographie

JF - Zeitschrift fur Kristallographie

IS - 8

ER -

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

Abstract

Funding

Keywords

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