Sr3ScNiO6 crystallizes in the trigonal R-3c space group. Sr(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Sc(1) is bonded to six equivalent O(1) atoms to form distorted ScO6 pentagonal pyramids that share faces with two equivalent Ni(1)O6 octahedra. Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share faces with two equivalent Sc(1)O6 pentagonal pyramids. O(1) is bonded to four equivalent Sr(1), one Sc(1), and one Ni(1) atom to form a mixture of distorted face, corner, and edge-sharing OSr4ScNi octahedra. The corner-sharing octahedral tilt angles range from 0-65°.
Sr3ScNiO6 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 2.52-2.72 Å. Sc(1) is bonded to six equivalent O(1) atoms to form distorted ScO6 pentagonal pyramids that share faces with two equivalent Ni(1)O6 octahedra. All Sc(1)-O(1) bond lengths are 2.15 Å. Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share faces with two equivalent Sc(1)O6 pentagonal pyramids. All Ni(1)-O(1) bond lengths are 2.04 Å. O(1) is bonded to four equivalent Sr(1), one Sc(1), and one Ni(1) atom to form a mixture of distorted face, corner, and edge-sharing OSr4ScNi octahedra. The corner-sharing octahedral tilt angles range from 0-65°.