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 re ected in this document. Changes may have been made to this work since it was submitted for publication. A de nitive version was subsequently published in Journal of solid state chemistry, 255, 2013, 10.1016/j.jssc.2013.07.001 Additional information:
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AbstractThe structural characterisation of Nd 2 Zr 2 O 7 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 Nd 2 Zr 2 O 7 , which provides compelling evidence for the adoption of a disordered fluorite-type structure by Nd 2 Zr 2 O 7 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.