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 - [School of Biological and Chemical Sciences Queen Mary University of London]
X. Liu,,
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, I. Abrahams - [School of Biological and Chemical Sciences Queen Mary University of London]
I. Abrahams,,
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, S. Hull - [ISIS Facility]
S. Hull,,
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, S.T. Norberg - [ISIS Facility]
S.T. Norberg,,
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, M. Holdynski - [Warsaw University of Technology (PW), MNiSW [80]]
M. Holdynski,,
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- Politechnika Warszawska
, Franciszek Krok (FP / SSID)
Franciszek Krok,,
- Solid State Ionics Division
Journal seriesSolid State Ionics, ISSN 0167-2738, (A 35 pkt)
Issue year2011
Vol192
No1
Pages176-180
Keywords in EnglishBismuth oxide, Defect structure, Fluorite, Neutron total scattering
ASJC Classification3104 Condensed Matter Physics; 2500 General Materials Science; 1600 General Chemistry
DOIDOI:10.1016/j.ssi.2010.07.018
URL http://www.sciencedirect.com/science/article/pii/S0167273810004169
Score (nominal)35
Score sourcejournalList
Publication indicators WoS Citations = 11; Scopus Citations = 10; GS Citations = 7.0; Scopus SNIP (Source Normalised Impact per Paper): 2011 = 1.615; WoS Impact Factor: 2011 = 2.646 (2) - 2011=3.097 (5)
Citation count*7 (2015-05-11)
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