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From Fluorite to Pyrochlore: Characterisation of Local and Average Structure of Neodymium Zirconate, Nd2Zr2O7

Payne, Julia; Tucker, Matt; Evans, Ivana R

From Fluorite to Pyrochlore: Characterisation of Local and Average Structure of Neodymium Zirconate, Nd2Zr2O7 Thumbnail


Authors

Julia Payne

Matt Tucker



Abstract

The structural characterisation of Nd2Zr2O7 prepared via a precursor route was performed using a combination of local and average structure probes (neutron total scattering, X-ray and neutron diffraction). We present the first total scattering and reverse Monte Carlo (RMC) modelling study of Nd2Zr2O7, which provides compelling evidence for the adoption of a disordered fluorite-type structure by Nd2Zr2O7 prepared by a low-temperature precursor route. Annealing the material at high temperatures leads to a transformation to a pyrochlore-type structure; however, Rietveld refinement using powder neutron diffraction data shows that the oxygen sublattice retains a degree of disorder.

Citation

Payne, J., Tucker, M., & Evans, I. R. (2013). From Fluorite to Pyrochlore: Characterisation of Local and Average Structure of Neodymium Zirconate, Nd2Zr2O7. Journal of Solid State Chemistry, 205, 29-34. https://doi.org/10.1016/j.jssc.2013.07.001

Journal Article Type Article
Publication Date Sep 1, 2013
Deposit Date Oct 15, 2014
Publicly Available Date Jan 28, 2015
Journal Journal of Solid State Chemistry
Print ISSN 0022-4596
Electronic ISSN 1095-726X
Publisher Elsevier
Peer Reviewed Peer Reviewed
Volume 205
Pages 29-34
DOI https://doi.org/10.1016/j.jssc.2013.07.001

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Copyright Statement
NOTICE: this is the author’s version of a work that was accepted for publication in Journal of solid state chemistry. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Journal of solid state chemistry, 255, 2013, 10.1016/j.jssc.2013.07.001





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