Sr3NiInO6 crystallizes in the trigonal R-3c space group. Sr(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share faces with two equivalent In(1)O6 pentagonal pyramids. In(1) is bonded to six equivalent O(1) atoms to form distorted InO6 pentagonal pyramids that share faces with two equivalent Ni(1)O6 octahedra. O(1) is bonded to four equivalent Sr(1), one Ni(1), and one In(1) atom to form a mixture of distorted edge, face, and corner-sharing OSr4InNi octahedra. The corner-sharing octahedral tilt angles range from 0-65°.
Sr3NiInO6 crystallizes in the trigonal R-3c space group. Sr(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. There are a spread of Sr(1)-O(1) bond distances ranging from 2.55-2.72 Å. Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share faces with two equivalent In(1)O6 pentagonal pyramids. All Ni(1)-O(1) bond lengths are 2.05 Å. In(1) is bonded to six equivalent O(1) atoms to form distorted InO6 pentagonal pyramids that share faces with two equivalent Ni(1)O6 octahedra. All In(1)-O(1) bond lengths are 2.24 Å. O(1) is bonded to four equivalent Sr(1), one Ni(1), and one In(1) atom to form a mixture of distorted edge, face, and corner-sharing OSr4InNi octahedra. The corner-sharing octahedral tilt angles range from 0-65°.