Ca(CoO2)4 is beta indium sulfide-derived structured and crystallizes in the trigonal R-3m space group. Ca(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form edge-sharing CoO6 octahedra. In the second Co site, Co(2) is bonded to six equivalent O(1) atoms to form edge-sharing CoO6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Co(2), and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to three equivalent Co(1) atoms.
Ca(CoO2)4 is beta indium sulfide-derived structured and crystallizes in the trigonal R-3m space group. Ca(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. All Ca(1)-O(1) bond lengths are 2.38 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form edge-sharing CoO6 octahedra. Both Co(1)-O(2) bond lengths are 1.86 Å. All Co(1)-O(1) bond lengths are 1.89 Å. In the second Co site, Co(2) is bonded to six equivalent O(1) atoms to form edge-sharing CoO6 octahedra. All Co(2)-O(1) bond lengths are 1.89 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Co(2), and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to three equivalent Co(1) atoms.