Materials Data on AlIrO3 by Materials Project

Abstract

IrAlO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ir3+ is bonded to twelve equivalent O2- atoms to form IrO12 cuboctahedra that share corners with twelve equivalent IrO12 cuboctahedra, faces with six equivalent IrO12 cuboctahedra, and faces with eight equivalent AlO6 octahedra. All Ir–O bond lengths are 2.59 Å. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with six equivalent AlO6 octahedra and faces with eight equivalent IrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–O bond lengths are 1.83 Å. O2- is bonded in a linear geometry to four equivalent Ir3+ and two equivalent Al3+ atoms.