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Analysis of pressure-temperature dependent monochromatic X-ray powder diffraction data yield the bulk modulus [K T  = 180.2(28) GPa] and thermal expansion coeficients [α 0  = 2.841(34) × 10 -5  K -1 ; α 1  = 3.37(48) × 10 -9  K -2 ] of CaIrO 3 , the structure model for post-perovskite MgSiO 3 . CaIrO 3  is orthorhombic (Cmcm, space group 63, Z = 4) with best-fit unit-cell parameters, a = 3.14147(5) Å, b = 9.87515(19), c = 7.29711(11), and V = 226.3754(78) Å 3  at 1 bar and 300 K. The c-axis of CaIrO 3  has a small compressibility and a large thermal expansion when compared to the other principal axes. Rietveld structure refinement reveals changes in CaIrO 3  as a function of temperature in terms of IrO 6  octahedra distortion. Dissociation of CaIrO 3  at high temperature has possible implications for the post-perovskite MgSiO 3  structure, Earth.s lower mantle, and D’’ layer.

Compression, thermal expansion, structure, and instability of CaIrO 3 , the structure model of MgSiO 3 post-perovskite