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Investigation of the Hydrothermal Crystallisation of the Perovskite Solid Solution NaCe1−xLaxTi2O6 and its Defect Chemistry

DOI: 10.1016/j.jssc.2013.09.015 DOI Help

Authors: Mohammad H. Harunsani (University of Warwick) , David I. Woodward (University of Warwick) , Martin D. Peel (University of St. Andrews) , Sharon E. Ashbrook (University of St. Andrews) , Richard I. Walton (University of Warwick)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Journal Of Solid State Chemistry

State: Published (Approved)
Published: October 2013

Abstract: Perovskites of nominal composition NaCe1?xLaxTi2O6 (0?x?1) crystallise directly under hydrothermal conditions at 240 °C. Raman spectroscopy shows distortion from the ideal cubic structure and Rietveld analysis of powder X-ray and neutron diffraction reveals that the materials represent a continuous series in rhombohedral space group R3?c. Ce LIII-edge X-ray absorption near edge structure spectroscopy shows that while the majority of cerium is present as Ce3+ there is evidence for Ce4+. The paramagnetic Ce3+ affects the chemical shift and line width of 23Na MAS NMR spectra, which also show with no evidence for A-site ordering. 2H MAS NMR of samples prepared in D2O shows the inclusion of deuterium, which IR spectroscopy shows is most likely to be as D2O. The deuterium content is highest for the cerium-rich materials, consistent with oxidation of some cerium to Ce4+ to provide charge balance of A-site water.

Journal Keywords: Perovskite; Hydrothermal; Xanes; Nmr; Neutron Diffraction

Subject Areas: Materials, Chemistry


Instruments: B18-Core EXAFS

Added On: 04/10/2013 12:54

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