CsCoO2 crystallizes in the orthorhombic Cmce space group. Cs(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. Co(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form a mixture of corner and edge-sharing CoO4 tetrahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1) and two equivalent Co(1) atoms. In the second O site, O(1) is bonded to four equivalent Cs(1) and two equivalent Co(1) atoms to form a mixture of distorted corner and edge-sharing OCs4Co2 octahedra. The corner-sharing octahedral tilt angles range from 29-53°.
CsCoO2 crystallizes in the orthorhombic Cmce space group. Cs(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. Both Cs(1)-O(2) bond lengths are 3.16 Å. There is one shorter (3.03 Å) and three longer (3.12 Å) Cs(1)-O(1) bond lengths. Co(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form a mixture of corner and edge-sharing CoO4 tetrahedra. There is one shorter (1.87 Å) and one longer (1.90 Å) Co(1)-O(1) bond length. Both Co(1)-O(2) bond lengths are 1.84 Å. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1) and two equivalent Co(1) atoms. In the second O site, O(1) is bonded to four equivalent Cs(1) and two equivalent Co(1) atoms to form a mixture of distorted corner and edge-sharing OCs4Co2 octahedra. The corner-sharing octahedral tilt angles range from 29-53°.