CaCuO2 crystallizes in the tetragonal P4/mmm space group. Ca(1) is bonded in a 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 Ca(1) and two equivalent Cu(1) atoms to form a mixture of face, corner, and edge-sharing OCa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°.
CaCuO2 crystallizes in the tetragonal P4/mmm space group. Ca(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. All Ca(1)-O(1) bond lengths are 2.49 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 1.92 Å. O(1) is bonded to four equivalent Ca(1) and two equivalent Cu(1) atoms to form a mixture of face, corner, and edge-sharing OCa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°.