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An analysis of the thermal motion in the negative thermal expansion material Sc-2(WO4)(3) using isotopes in neutron diffraction

Record type: Article

A full analysis of thermal motion has been carried out for the negative thermal expansion material Sc-2(WO4)(3) over the temperature range 50-823 K. By obtaining neutron diffraction data from isotopically pure samples of the compositions Sc-2((WO4)-W-184)(3), Sc-2((WO4)-W-186)(3) and natural Sc-2(WO4)(3), coupled With multidata set refinement methods, it is possible to extract anisotropic thermal parameters for individual atoms throughout the temperature range. Results indicate that the thermal motion of two Sc-O-W bridging oxygen atoms with the largest Sc-O-W angles is better represented by thermal toroids consistent with strong local motion of these units. The thermal behavior of the other oxygen atoms in the structures as a function of temperature is normal. Sc-O and W-O bond lengths corrected for the effect of correlated thermal motion show the expected increase with temperature.

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Citation

Weller, M. T., Henry, P. F. and Wilson, C. C. (2000) An analysis of the thermal motion in the negative thermal expansion material Sc-2(WO4)(3) using isotopes in neutron diffraction Journal of Physical Chemistry B, 104, (51), pp. 12224-12229. (doi:10.1021/jp0030037).

More information

Published date: 28 December 2000
Keywords: zrw2o8

Identifiers

Local EPrints ID: 19074
URI: http://eprints.soton.ac.uk/id/eprint/19074
ISSN: 1089-5647
PURE UUID: 61e7c831-4b9a-41f2-9607-e400c91c5d63

Catalogue record

Date deposited: 05 Jan 2006
Last modified: 17 Jul 2017 16:34

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Contributors

Author: M. T. Weller
Author: P. F. Henry
Author: C. C. Wilson

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