BiNb{sub 3}O{sub 9}, a metastable perovskite phase with Bi/vacancy ordering: Crystal structure and dielectric properties
- CSIRO Process Science and Engineering, Box 312 Clayton South, VIC 3169 (Australia)
- Materials Science and Engineering Department, University of Florida, Gainesville, FL 32611 (United States)
- National Institute of Standards and Technology, Material Measurement Laboratory, Gaithersburg, MD 20899 (United States)
The perovskite, BiNb{sub 3}O{sub 9}, is a metastable phase in the Bi{sub 2}O{sub 3}:Nb{sub 2}O{sub 5} system that forms only when cooled from a liquid phase. Crystals of BiNb{sub 3}O{sub 9} prepared in this way display pseudocubic 2a×2a×2a diffraction patterns, due to non-merohedral twinning of a tetragonal a×a×2a cell, with the doubled axis oriented along all three pseudocubic axes. The structure was refined using data collected on a twinned crystal to R{sub 1}=0.034 for 318 observed reflections. BiNb{sub 3}O{sub 9} has tetragonal symmetry, P4/mmm with a=3.9459(3) Å, c=7.8919(6) Å. Partial ordering of Bi atoms and vacancies occurs, with alternate (0 0 1) planes having 28% and 42% Bi occupancies. The Bi atoms are displaced from the A-site special positions by up to 0.4 Å. The compound exhibits a relatively high permittivity value of ∼230 at room temperature, and shows a sharp increase with increasing temperature towards an apparent diffuse phase transition above ∼180 °C, with an associated frequency dependent peak in the dielectric loss. - Graphical abstract: Structure for BiNb{sub 3}O{sub 9}, showing split Bi atoms. Highlights: ► First characterisation of a new perovskite phase with potentially useful dielectric properties. ► Solving of the structure using single crystal data on a multiply twinned crystal. ► Measurement of dielectric properties that show the phase has a high dielectric permittivity.
- OSTI ID:
- 22304572
- Journal Information:
- Journal of Solid State Chemistry, Vol. 200; Other Information: Copyright (c) 2013 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA); ISSN 0022-4596
- Country of Publication:
- United States
- Language:
- English
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