Title of article
A neutron total scattering study of defect structure in Bi3Nb0.5Y0.5O6.5
Author/Authors
Liu، نويسنده , , X. and Abrahams، نويسنده , , I. and Hull، نويسنده , , S. and Norberg، نويسنده , , S.T. and Holdynski، نويسنده , , M. and Krok، نويسنده , , F.، نويسنده ,
Issue Information
هفته نامه با شماره پیاپی سال 2011
Pages
5
From page
176
To page
180
Abstract
The defect structure of the title compound has been analyzed by reverse Monte Carlo (RMC) modeling of neutron total scattering data. The composition exhibits both diffuse scattering and weak superlattice ordering of the cubic fluorite subcell in neutron diffraction patterns. Combined Rietveld analysis of X-ray and neutron data at room temperature reveals oxide ion scattering on three crystallographic sites. Analysis of the RMC model reveals Bi coordination numbers consistent with stereochemical activity of the Bi 6 s2 lone pair electrons. Integration of the O–M–O angular distribution function gives an angular ratio consistent with predominantly < 110> vacancy ordering in this system.
Keywords
Fluorite , Bismuth oxide , defect structure , Neutron total scattering
Journal title
Solid State Ionics
Serial Year
2011
Journal title
Solid State Ionics
Record number
1710509
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