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Persistent URL http://purl.org/net/epubs/work/66002
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Record Id 66002
Title From Fluorite to Pyrochlore: Characterisation of Local and Average Structure of Neodymium Zirconate, Nd2Zr2O7
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.
Organisation ISIS , ISIS-GEM , STFC
Keywords ISIS 2013
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Language English (EN)
Type Details URI(s) Local file(s) Year
Journal Article J Solid State Chem 205 (2013): 29-34. doi:10.1016/j.jssc.2013.07.001 2013
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