journal article·2018-12Open access

In-situ investigation of Hf6Ta2O17 anisotropic thermal expansion and topotactic, peritectic transformation

Scott J. McCormack, Richard J. Weber, Waltraud M. Kriven

Acta Materialia· Volume 161

Abstract

Abstract The anisotropic coefficients of thermal expansion and the peritectic transformation of orthorhombic-Hf6Ta2O17 to tetragonal-HfO2 plus liquid at 2250 °C have been studied by in-situ X-ray powder diffraction from room temperature to complete melting (∼2450 °C) in air, using a quadrupole lamp furnace (QLF) and a conical nozzle levitator (CNL) equipped with a CO2 laser. The topotactic, peritectic transformation has been fully described by extracting the orientation relationship, lattice variant deformation and a motif (grouping) of cations that relates the two structures at the transformation temperature. The calculation of these two important parameters as well as identification of the motif is facilitated by a knowledge of the anisotropic coefficients of thermal expansion as a function of temperature. Symmetry decomposition has been performed to show that the orthorhombic-Hf6Ta2O17 and tetragonal-HfO2 structures are simply related by polyhedral rotations and loss of 1 mol of oxygen.
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Research context

OpenAlex topics: Microwave Dielectric Ceramics Synthesis · Nuclear materials and radiation effects · X-ray Diffraction in Crystallography

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