Low temperature structural phase transition of Ba3NaIr2O9 |
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| Authors: | Hans-Conrad zur Loye Seung-Joo Kim Rene Macquart Mark D Smith Yongjae Lee Tom Vogt |
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| Institution: | 1. Department of Chemistry and Biochemistry, University of South Carolina, 631 Sumter Street, Columbia, SC 29208, USA;2. Department of Earth System Sciences, Yonsei University, Seoul 120749, South Korea |
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| Abstract: | Single crystal X-ray and synchrotron X-ray powder diffraction have been used to probe the structure of Ba3NaIr2O9 from 300 K down to 20 K. Ba3NaIr2O9 is found to undergo a structural transition from hexagonal symmetry, P63/mmc, at ambient temperature to monoclinic symmetry, C2/c, at low temperature. The evolution of the unit cell volume upon cooling is indicative of a higher order structural transition, and the symmetry breaking becomes apparent as the temperature is decreased. The low temperature monoclinic structure of Ba3NaIr2O9 contains strongly distorted NaO6] and IrO6] octahedra in comparison to the room temperature hexagonal structure. |
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