Ba2CuSeO2 crystallizes in the tetragonal P4/mmm space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent Se(1) and four equivalent O(1) atoms. 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, face, and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedra are not tilted.
Ba2CuSeO2 crystallizes in the tetragonal P4/mmm space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent Se(1) and four equivalent O(1) atoms. All Ba(1)-Se(1) bond lengths are 3.44 Å. All Ba(1)-O(1) bond lengths are 2.76 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 2.03 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, face, and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedra are not tilted.