An analysis of the thermal motion in the negative thermal expansion material Sc-2(WO4)(3) using isotopes in neutron diffraction
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), 12224-12229. (doi: 10.1021/jp0030037).
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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.
Q Science > QD Chemistry
|Divisions:||University Structure - Pre August 2011 > School of Chemistry
|Date Deposited:||05 Jan 2006|
|Last Modified:||01 Jun 2011 03:54|
|Contributors:||Weller, M. T. (Author)
Henry, P. F. (Author)
Wilson, C. C. (Author)
|Date:||28 December 2000|
|RDF:||RDF+N-Triples, RDF+N3, RDF+XML, Browse.|
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