A neutron total scattering study of defect structure in Bi3Nb0.5Y0.5O6.5

X. Liu , I. Abrahams , S. Hull , S.T. Norberg , M. Holdynski , Franciszek Krok

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.
Author X. Liu
X. Liu,,
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, I. Abrahams
I. Abrahams,,
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, S. Hull
S. Hull,,
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, S.T. Norberg
S.T. Norberg,,
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, M. Holdynski
M. Holdynski,,
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, Franciszek Krok ZJCS
Franciszek Krok,,
- Solid State Ionics Division
Journal seriesSolid State Ionics, ISSN 0167-2738
Issue year2011
Vol192
No1
Pages176-180
Keywords in EnglishBismuth oxide, Defect structure, Fluorite, Neutron total scattering
DOIDOI:10.1016/j.ssi.2010.07.018
URL http://www.sciencedirect.com/science/article/pii/S0167273810004169
Score (nominal)35
Publication indicators WoS Impact Factor: 2011 = 2.646 (2) - 2011=3.097 (5)
Citation count*7 (2015-05-11)
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