BaCuO2 crystallizes in the tetragonal P4/mmm space group. Ba(1) is bonded in a distorted body-centered cubic geometry to eight equivalent O(1) atoms. Cu(1) is bonded in a square co-planar geometry to four equivalent O(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 octahedral tilt angles range from 0-61°.
BaCuO2 crystallizes in the tetragonal P4/mmm space group. Ba(1) is bonded in a distorted body-centered cubic geometry to eight equivalent O(1) atoms. All Ba(1)-O(1) bond lengths are 2.79 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 2.01 Å. 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 octahedral tilt angles range from 0-61°.