Sr3PbNiO6 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 Pb(1)O6 pentagonal pyramids. Pb(1) is bonded to six equivalent O(1) atoms to form distorted PbO6 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 Pb(1) atom to form a mixture of distorted corner, face, and edge-sharing OSr4NiPb octahedra. The corner-sharing octahedral tilt angles range from 0-67°.
Sr3PbNiO6 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 2.53-2.72 Å. Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share faces with two equivalent Pb(1)O6 pentagonal pyramids. All Ni(1)-O(1) bond lengths are 2.12 Å. Pb(1) is bonded to six equivalent O(1) atoms to form distorted PbO6 pentagonal pyramids that share faces with two equivalent Ni(1)O6 octahedra. All Pb(1)-O(1) bond lengths are 2.26 Å. O(1) is bonded to four equivalent Sr(1), one Ni(1), and one Pb(1) atom to form a mixture of distorted corner, face, and edge-sharing OSr4NiPb octahedra. The corner-sharing octahedral tilt angles range from 0-67°.