Low Temperature Structural Phase Transition of Ba3NaIr2O9

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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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zur Loye, H.-C., Kim, S.-J., Macquart, R., Smith, M., Lee, Y., & Vogt, T. (2008). Low Temperature Structural Phase Transition of Ba3NaIr2O9. Solid State Sciences, 11(3), 608–613. https://doi.org/10.1016/j.solidstatesciences.2008.12.010