Ba4Cu3SeO6 crystallizes in the cubic Im-3m space group. Ba(1) is bonded to two equivalent Se(1) and six equivalent O(1) atoms to form a mixture of distorted corner and face-sharing BaSe2O6 hexagonal bipyramids. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. Se(1) is bonded in a body-centered cubic geometry to eight equivalent Ba(1) atoms. O(1) is bonded to four equivalent Ba(1) and two equivalent Cu(1) atoms to form a mixture of corner and face-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°.
Ba4Cu3SeO6 crystallizes in the cubic Im-3m space group. Ba(1) is bonded to two equivalent Se(1) and six equivalent O(1) atoms to form a mixture of distorted corner and face-sharing BaSe2O6 hexagonal bipyramids. Both Ba(1)-Se(1) bond lengths are 3.44 Å. All Ba(1)-O(1) bond lengths are 2.81 Å. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. All Cu(1)-O(1) bond lengths are 1.98 Å. Se(1) is bonded in a body-centered cubic geometry to eight equivalent Ba(1) atoms. O(1) is bonded to four equivalent Ba(1) and two equivalent Cu(1) atoms to form a mixture of corner and face-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°.