1. Pressure-induced structural transformations in lanthanide titanates: La2TiO5 and Nd2TiO5
- Author
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Zhang, F.X., Wang, J.W., Lang, M., Zhang, J.M., and Ewing, R.C.
- Subjects
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RARE earth metal compounds , *TITANATES , *HIGH pressure chemistry , *X-ray diffraction , *PHASE transitions , *RAMAN effect , *MOLECULAR structure - Abstract
Abstract: The structure of orthorhombic rare earth titanates of La2TiO5 and Nd2TiO5, where Ti cations are in five-fold coordination with oxygen, has been studied at high pressures by X-ray diffraction (XRD), Raman scattering measurements, and quantum mechanical calculations. Both XRD and Raman results indicated two pressure-induced phase transitions during the process. An orthorhombic super cell (a×b×2c) formed at a pressure between 6 and 10GPa, and then transformed to a hexagonal high-pressure phase accompanied by partial decomposition. The hexagonal high-pressure phase is quenchable. Detailed structural analysis indicated that the five-coordinated TiO5 polyhedra remain during the formation of super cell, but the orthorhombic-to-hexagonal phase transition at high pressures is a reconstructive process, and the five-fold Ti–O coordination increased to more than 6. This phase transition sequence was verified by quantum mechanical calculations. [ABSTRACT FROM AUTHOR]
- Published
- 2010
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