Sr3Co2O6 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 two inequivalent Co sites. In the first Co site, Co(1) is bonded to six equivalent O(1) atoms to form face-sharing CoO6 octahedra. In the second Co site, Co(2) is bonded to six equivalent O(1) atoms to form distorted face-sharing CoO6 pentagonal pyramids. O(1) is bonded to four equivalent Sr(1), one Co(1), and one Co(2) atom to form a mixture of distorted corner, edge, and face-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-64°.
Sr3Co2O6 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 2.50-2.68 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to six equivalent O(1) atoms to form face-sharing CoO6 octahedra. All Co(1)-O(1) bond lengths are 1.96 Å. In the second Co site, Co(2) is bonded to six equivalent O(1) atoms to form distorted face-sharing CoO6 pentagonal pyramids. All Co(2)-O(1) bond lengths are 2.08 Å. O(1) is bonded to four equivalent Sr(1), one Co(1), and one Co(2) atom to form a mixture of distorted corner, edge, and face-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-64°.