Materials Data on Sr3MgIrO6 by Materials Project
Sr3MgIrO6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Sr–O bond distances ranging from 2.49–2.75 Å. Mg2+ is bonded to six equivalent O2- atoms to form distorted MgO6 pentagonal pyramids that share faces with two equivalent IrO6 octahedra. All Mg–O bond lengths are 2.19 Å. Ir4+ is bonded to six equivalent O2- atoms to form IrO6 octahedra that share faces with two equivalent MgO6 pentagonal pyramids. All Ir–O bond lengths are 2.04 Å. O2- is bonded to four equivalent Sr2+, one Mg2+, and one Ir4+ atom to form a mixture of distorted corner, edge, and face-sharing OSr4MgIr octahedra. The corner-sharing octahedra tilt angles range from 0–66°.