Ca3NiMnO6 crystallizes in the trigonal R-3c space group. Ca(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Mn(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. Ni(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. O(1) is bonded to four equivalent Ca(1), one Mn(1), and one Ni(1) atom to form a mixture of distorted corner, edge, and face-sharing OCa4MnNi octahedra. The corner-sharing octahedral tilt angles range from 0-65°.
Ca3NiMnO6 crystallizes in the trigonal R-3c space group. Ca(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. There are a spread of Ca(1)-O(1) bond distances ranging from 2.36-2.70 Å. Mn(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. All Mn(1)-O(1) bond lengths are 1.93 Å. Ni(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. All Ni(1)-O(1) bond lengths are 2.16 Å. O(1) is bonded to four equivalent Ca(1), one Mn(1), and one Ni(1) atom to form a mixture of distorted corner, edge, and face-sharing OCa4MnNi octahedra. The corner-sharing octahedral tilt angles range from 0-65°.