Li(CoO2)4 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form distorted LiO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-17°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), and four equivalent O(2) atoms to form CoO6 octahedra that share corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-17°. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Co(1) and two equivalent Co(2) atoms. In the second O site, O(2) is bonded to one Li(1), one Co(2), and two equivalent Co(1) atoms to form a mixture of corner and edge-sharing OLiCo3 trigonal pyramids. In the third O site, O(3) is bonded in a see-saw-like geometry to one Li(1), one Co(1), and two equivalent Co(2) atoms.
Li(CoO2)4 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form distorted LiO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-17°. Both Li(1)-O(3) bond lengths are 2.16 Å. All Li(1)-O(2) bond lengths are 2.18 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), and four equivalent O(2) atoms to form CoO6 octahedra that share corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-17°. The Co(1)-O(1) bond length is 1.98 Å. The Co(1)-O(3) bond length is 2.00 Å. All Co(1)-O(2) bond lengths are 1.98 Å. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. Both Co(2)-O(1) bond lengths are 1.89 Å. Both Co(2)-O(2) bond lengths are 1.87 Å. Both Co(2)-O(3) bond lengths are 1.92 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Co(1) and two equivalent Co(2) atoms. In the second O site, O(2) is bonded to one Li(1), one Co(2), and two equivalent Co(1) atoms to form a mixture of corner and edge-sharing OLiCo3 trigonal pyramids. In the third O site, O(3) is bonded in a see-saw-like geometry to one Li(1), one Co(1), and two equivalent Co(2) atoms.