Lix0CoO2 crystallizes in the orthorhombic Imma space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form corner-sharing CoO4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-55°. In the second Co site, Co(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Co(1)O4 tetrahedra and edges with two equivalent Co(2)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Co(1) and one Co(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(1) and two equivalent Co(2) atoms.
Lix0CoO2 crystallizes in the orthorhombic Imma space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form corner-sharing CoO4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-55°. Both Co(1)-O(1) bond lengths are 1.74 Å. Both Co(1)-O(2) bond lengths are 1.88 Å. In the second Co site, Co(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Co(1)O4 tetrahedra and edges with two equivalent Co(2)O6 octahedra. Both Co(2)-O(1) bond lengths are 1.84 Å. All Co(2)-O(2) bond lengths are 1.89 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Co(1) and one Co(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(1) and two equivalent Co(2) atoms.