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Comparative neutron and X-ray diffraction analysis of anionic and cationic ordering in rare-earth zirconates (Ln = La, Nd, Tb, Yb, Y)

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Abstract The influence of the cation radii ratio (γ = 1.37–1.61) and temperature of the isothermal annealing on the specific features of fluorite – pyrochlore phase transition in Ln2O3: ZrO2 = 1:2 (Ln = La, Nd,… Click to show full abstract

Abstract The influence of the cation radii ratio (γ = 1.37–1.61) and temperature of the isothermal annealing on the specific features of fluorite – pyrochlore phase transition in Ln2O3: ZrO2 = 1:2 (Ln = La, Nd, Tb, Yb, and Y) systems was investigated by means of Neutron (NPD) and X-ray (XRD) powder diffractions as well as Raman spectroscopy. It was shown that with a decrease in the radius of the Ln cation in the La → Nd → Tb → Y → Yb series, the following sequence of phase transitions is observed: the pyrochlore structure → the structure of defect fluorite → the rhombohedral δ-phase. Significant advantages of NPD over XRD are demonstrated for determining the structural features of the anion sublattice. A detailed description of the parameters of the vibrational modes in Raman spectra for samples with a pyrochlore type of ordering is given, depending on the refined structural parameters.

Keywords: ray diffraction; diffraction analysis; analysis anionic; comparative neutron; neutron ray; ray

Journal Title: Journal of Alloys and Compounds
Year Published: 2020

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