Lix0CoO2 crystallizes in the orthorhombic Cmcm space group. Co(1) is bonded to one O(2), two equivalent O(3), and three equivalent O(1) atoms to form a mixture of edge and corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 0-42°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Co(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a square co-planar geometry to four equivalent Co(1) atoms.
Lix0CoO2 crystallizes in the orthorhombic Cmcm space group. Co(1) is bonded to one O(2), two equivalent O(3), and three equivalent O(1) atoms to form a mixture of edge and corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 0-42°. The Co(1)-O(2) bond length is 1.77 Å. Both Co(1)-O(3) bond lengths are 2.04 Å. There is one shorter (1.89 Å) and two longer (1.91 Å) Co(1)-O(1) bond lengths. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Co(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a square co-planar geometry to four equivalent Co(1) atoms.