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Phase Transition in Weberite-Type Gd3NbO7

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Gd3NbO7 has an orthorhombic weberite-type crystal structure and undergoes a phase transition at about 340 K. The phase transition was confirmed by second harmonic generation, heat capacity measurement, and high-resolution X-ray diffraction. Above 340 K, Gd3NbO7 has a centrosymmetric weberite-type structure with space group Cmcm (No. 63) and transforms at about 340 K into a non-centrosymmetric structure with space group Cm2m (No. 38). The phase transition is mainly due to off-center shifts of Nb5+ ions within NbO6 octahedra, as well as off-center shifts of one-third of the Gd3+ ions within GdO8 polyhedra.
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Document Type: Research Article

Affiliations: 1: Department of Materials Science and Engineering, University of Florida, Gainesville, Florida 32611 2: Department of Materials Science and Engineering, Pennsylvania State University, University Park, Pennsylvania 16802

Publication date: 01 March 2010

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