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Structure and phase transition of Na0.5La0.5TiO3

A temperature dependent neutron powder diffraction study was carried out on Na0.5La0.5TiO3 (NLT) from 298 K up to 1373 K. Rietveld analysis using high resolution x-ray and neutron powder diffraction data confirmed the rhombohedral structure (space group ) of this compound. The rhombohedral phase transforms to cubic () above 873 K. The temperature variation of the tilt angle, a continuous change of the specific volume across the transition, and the strain analysis suggest a second order nature of the cubic–rhombohedral phase transition, which is in conformity with the group theoretical prediction based on symmetry considerations.