Li2(CoO2)3 crystallizes in the orthorhombic Cmce space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing CoO6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(1) and four equivalent O(2) 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 trigonal non-coplanar geometry to one Co(1) and two equivalent Co(2) atoms. In the second O site, O(2) is bonded to two equivalent Li(1), one Co(1), and two equivalent Co(2) atoms to form a mixture of distorted edge and corner-sharing OLi2Co3 square pyramids.
Li2(CoO2)3 crystallizes in the orthorhombic Cmce space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(2) atoms. All Li(1)-O(2) bond lengths are 2.03 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing CoO6 octahedra. Both Co(1)-O(1) bond lengths are 1.95 Å. All Co(1)-O(2) bond lengths are 2.08 Å. In the second Co site, Co(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing CoO6 octahedra. Both Co(2)-O(1) bond lengths are 1.95 Å. There are two shorter (1.92 Å) and two longer (2.11 Å) Co(2)-O(2) bond lengths. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Co(1) and two equivalent Co(2) atoms. In the second O site, O(2) is bonded to two equivalent Li(1), one Co(1), and two equivalent Co(2) atoms to form a mixture of distorted edge and corner-sharing OLi2Co3 square pyramids.