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

Neutron powder diffraction in materials with incoherent scattering: an illustration of Rietveld refinement quality from nondeuterated gypsum
Neutron powder diffraction in materials with incoherent scattering: an illustration of Rietveld refinement quality from nondeuterated gypsum
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, CaSO4·2H2O, 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.

neutron powder diffraction, structure, hydrogenous materials, rietveld analysis, gypsum
0021-8898
1176-1188
Henry, P.F.
7a749ff8-32f2-4075-9d7f-1852a62cf88e
Weller, M.T.
36a60b56-049f-466c-a1d7-39d6b0d85ff4
Wilson, C.C.
46354f2e-f96e-4fba-b204-ab625ca41c38
Henry, P.F.
7a749ff8-32f2-4075-9d7f-1852a62cf88e
Weller, M.T.
36a60b56-049f-466c-a1d7-39d6b0d85ff4
Wilson, C.C.
46354f2e-f96e-4fba-b204-ab625ca41c38

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), 1176-1188. (doi:10.1107/S0021889809043210).

Record type: Article

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, CaSO4·2H2O, 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.

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Published date: 2009
Keywords: neutron powder diffraction, structure, hydrogenous materials, rietveld analysis, gypsum
Organisations: Chemistry

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Local EPrints ID: 158741
URI: http://eprints.soton.ac.uk/id/eprint/158741
ISSN: 0021-8898
PURE UUID: 234c3fe5-32b2-4e9d-9465-799b86d2f2c0

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Date deposited: 23 Jun 2010 11:44
Last modified: 09 Sep 2019 19:02

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