Neutron powder diffraction in materials with incoherent scattering: an illustration of Rietveld refinement quality from nondeuterated gypsum

Henry, P.F., Weller, M.T. and Wilson, C.C. (2009) Neutron powder diffraction in materials with incoherent scattering: an illustration of Rietveld refinement quality from nondeuterated gypsum. Journal of Applied Crystallography, 42(6), pp. 1176-1188. (doi: 10.1107/S0021889809043210)

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Abstract

The power of the state-of-the-art neutron powder diffractometer suite at the Institut Laue-Langevin for investigating the structure of nondeuterated materials is presented using gypsum, CaSO<sub>4</sub>·2H<sub>2</sub>O, as a reference material. It is shown that flexible modern neutron powder diffraction instruments at reactor-based sources can yield data with sufficient counting statistics above the incoherent scattering contribution to perform unconstrained refinements in relatively short time periods (from minutes to a few hours, depending on the sample size and the instrument choice), without the requirement for significant changes to the standard operational modes of the instruments. The results are critically compared with previous literature from single-crystal and powder X-ray and neutron measurements on deuterated and nondeuterated gypsum.

Item Type:Articles
Status:Published
Refereed:Yes
Glasgow Author(s) Enlighten ID:Wilson, Professor Charles
Authors: Henry, P.F., Weller, M.T., and Wilson, C.C.
Subjects:Q Science > QD Chemistry
College/School:College of Science and Engineering > School of Chemistry
Journal Name:Journal of Applied Crystallography
ISSN:0021-8898
ISSN (Online):1600-5767

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Project CodeAward NoProject NamePrincipal InvestigatorFunder's NameFunder RefLead Dept
450251The structural chemistry of hydrogenous materialsCharles WilsonEngineering & Physical Sciences Research Council (EPSRC)EP/E050859/1Chemistry