Lix0CoO2 is Rutile-like structured and crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of edge and corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the second Co site, Co(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of edge and corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to 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 one Co(2) and two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to three equivalent Co(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Co(1) atoms.
Lix0CoO2 is Rutile-like structured and crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of edge and corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 52°. The Co(1)-O(3) bond length is 1.88 Å. The Co(1)-O(4) bond length is 1.87 Å. Both Co(1)-O(1) bond lengths are 1.86 Å. Both Co(1)-O(2) bond lengths are 1.89 Å. In the second Co site, Co(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of edge and corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 52°. All Co(2)-O(1) bond lengths are 1.93 Å. All Co(2)-O(2) bond lengths are 1.88 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to 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 one Co(2) and two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to three equivalent Co(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Co(1) atoms.