Li(CoO2)4 is beta indium sulfide-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(8) atoms to form distorted LiO6 octahedra that share corners with two equivalent Co(6)O6 octahedra, corners with four equivalent Co(5)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-15°. In the second Li site, Li(2) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms to form distorted LiO6 octahedra that share corners with two equivalent Co(5)O6 octahedra, corners with four equivalent Co(6)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-15°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form CoO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CoO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms to form CoO6 octahedra that share edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. In the fourth Co site, Co(4) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms to form CoO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. In the fifth Co site, Co(5) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms to form CoO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles are 13°. In the sixth Co site, Co(6) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-15°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Co(1), one Co(2), and one Co(3) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Co(1), one Co(2), and one Co(4) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(2), one Co(3), and one Co(6) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(2), one Co(4), and one Co(5) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(2), and one Co(6) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(1), one Co(2), and one Co(5) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(1), one Co(3), and one Co(6) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(4), and one Co(5) atom.
Li(CoO2)4 is beta indium sulfide-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(8) atoms to form distorted LiO6 octahedra that share corners with two equivalent Co(6)O6 octahedra, corners with four equivalent Co(5)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-15°. Both Li(1)-O(4) bond lengths are 2.22 Å. Both Li(1)-O(5) bond lengths are 2.15 Å. Both Li(1)-O(8) bond lengths are 2.22 Å. In the second Li site, Li(2) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms to form distorted LiO6 octahedra that share corners with two equivalent Co(5)O6 octahedra, corners with four equivalent Co(6)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-15°. Both Li(2)-O(3) bond lengths are 2.15 Å. Both Li(2)-O(6) bond lengths are 2.24 Å. Both Li(2)-O(7) bond lengths are 2.16 Å. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form CoO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The Co(1)-O(1) bond length is 1.89 Å. The Co(1)-O(2) bond length is 1.90 Å. The Co(1)-O(5) bond length is 1.88 Å. The Co(1)-O(6) bond length is 1.88 Å. The Co(1)-O(7) bond length is 1.90 Å. The Co(1)-O(8) bond length is 1.88 Å. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CoO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The Co(2)-O(1) bond length is 1.89 Å. The Co(2)-O(2) bond length is 1.89 Å. The Co(2)-O(3) bond length is 1.90 Å. The Co(2)-O(4) bond length is 1.89 Å. The Co(2)-O(5) bond length is 1.88 Å. The Co(2)-O(6) bond length is 1.88 Å. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms to form CoO6 octahedra that share edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. Both Co(3)-O(1) bond lengths are 1.92 Å. Both Co(3)-O(3) bond lengths are 1.88 Å. Both Co(3)-O(7) bond lengths are 1.89 Å. In the fourth Co site, Co(4) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms to form CoO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. Both Co(4)-O(2) bond lengths are 1.89 Å. Both Co(4)-O(4) bond lengths are 1.88 Å. Both Co(4)-O(8) bond lengths are 1.89 Å. In the fifth Co site, Co(5) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms to form CoO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles are 13°. Both Co(5)-O(4) bond lengths are 1.92 Å. Both Co(5)-O(6) bond lengths are 1.92 Å. Both Co(5)-O(8) bond lengths are 1.92 Å. In the sixth Co site, Co(6) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-15°. Both Co(6)-O(3) bond lengths are 2.00 Å. Both Co(6)-O(5) bond lengths are 2.03 Å. Both Co(6)-O(7) bond lengths are 1.98 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Co(1), one Co(2), and one Co(3) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Co(1), one Co(2), and one Co(4) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(2), one Co(3), and one Co(6) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(2), one Co(4), and one Co(5) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(2), and one Co(6) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(1), one Co(2), and one Co(5) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(1), one Co(3), and one Co(6) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(4), and one Co(5) atom.