Materials Data on Sr2MgIrO6 by Materials Project

Abstract

Sr2MgIrO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr is bonded to twelve equivalent O atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent MgO6 octahedra, and faces with four equivalent IrO6 octahedra. All Sr–O bond lengths are 2.82 Å. Mg is bonded to six equivalent O atoms to form MgO6 octahedra that share corners with six equivalent IrO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–O bond lengths are 2.04 Å. Ir is bonded to six equivalent O atoms to form IrO6 octahedra that share corners with six equivalent MgO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ir–O bond lengths are 1.94 Å. O is bonded in a distorted linear geometry to four equivalent Sr, one Mg, and one Ir atom.