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Issue 40, 2009
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Neutron total scattering study of the δ and β phases of Bi2O3

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Abstract

The highly disordered structure of the δ phase of Bi2O3, which possesses the highest known oxide-ion conductivity, has been studied using neutron powder diffraction. A detailed analysis of data collected at 1033(3) K using Rietveld refinement indicates that the time-averaged structure of δ-Bi2O3 can be described using the accepted model of a disordered, anion-deficient fluorite structure in space group Fm[3 with combining macron]m. However, reverse Monte Carlo modelling of the total (Bragg plus diffuse) scattering demonstrates that the local anion environment around the Bi3+ resembles the distorted square pyramidal arrangement found within the stable α and metastable β phases at ambient temperature, which is characteristic of the cation's 6s2 lone-pair configuration. Similarities between the structures of the highly disordered δ phase and the ambient temperature metastable β phase are used to support this assignment and assess the validity of previous structural models based on short-range ordering of vacancies within the cubic lattice of δ-Bi2O3.

Graphical abstract: Neutron total scattering study of the δ and β phases of Bi2O3

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Article information


Submitted
27 May 2009
Accepted
30 Jul 2009
First published
28 Aug 2009

Dalton Trans., 2009, 8737-8745
Article type
Paper

Neutron total scattering study of the δ and β phases of Bi2O3

S. Hull, S. T. Norberg, M. G. Tucker, S. G. Eriksson, C. E. Mohn and S. Stølen, Dalton Trans., 2009, 8737
DOI: 10.1039/B910484B

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