Materials Data on Sr3InNiO6 by Materials Project
Sr3NiInO6 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 2.55–2.72 Å. Ni3+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share faces with two equivalent InO6 pentagonal pyramids. All Ni–O bond lengths are 2.05 Å. In3+ is bonded to six equivalent O2- atoms to form distorted InO6 pentagonal pyramids that share faces with two equivalent NiO6 octahedra. All In–O bond lengths are 2.24 Å. O2- is bonded to four equivalent Sr2+, one Ni3+, and one In3+ atom to form a mixture of distorted edge, face, and corner-sharing OSr4InNi octahedra. The corner-sharing octahedra tilt angles range from 0–65°.