Li(CoO2)4 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(13), one O(15), one O(5), one O(7), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with two equivalent Co(5)O6 octahedra, and edges with two equivalent Co(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-13°. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(14), one O(16), one O(6), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, edges with two equivalent Co(6)O6 octahedra, and edges with two equivalent Co(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-13°. There are eight inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(12), one O(13), one O(16), one O(5), one O(8), and one O(9) atom to form CoO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent 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,  an edgeedge with one Co(7)O6 octahedra, and  an edgeedge with one Co(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-11°. In the second Co site, Co(2) is bonded to one O(10), one O(11), one O(14), one O(15), one O(6), and one O(7) atom to form CoO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent 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,  an edgeedge with one Co(7)O6 octahedra, and  an edgeedge with one Co(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-13°. In the third Co site, Co(3) is bonded to one O(1), one O(11), one O(15), one O(3), one O(5), and one O(9) atom to form CoO6 octahedra that share  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(5)O6 octahedra, and edges with two equivalent Co(7)O6 octahedra. In the fourth Co site, Co(4) is bonded to one O(10), one O(12), one O(16), one O(2), one O(4), and one O(6) atom to form CoO6 octahedra that share  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(6)O6 octahedra, and edges with two equivalent Co(8)O6 octahedra. In the fifth Co site, Co(5) is bonded to one O(1), one O(13), one O(15), one O(3), one O(5), and one O(7) atom to form CoO6 octahedra that share  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(7)O6 octahedra. In the sixth Co site, Co(6) is bonded to one O(14), one O(16), one O(2), one O(4), one O(6), and one O(8) atom to form CoO6 octahedra that share  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Co(8)O6 octahedra. In the seventh Co site, Co(7) is bonded to one O(1), one O(11), one O(13), one O(3), one O(7), and one O(9) atom to form CoO6 octahedra that share  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. In the eighth Co site, Co(8) is bonded to one O(10), one O(12), one O(14), one O(2), one O(4), and one O(8) atom to form CoO6 octahedra that share  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Co(3), one Co(5), and one Co(7) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Co(4), one Co(6), and one Co(8) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Co(3), one Co(5), and one Co(7) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Co(4), one Co(6), and one Co(8) 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(3), and one Co(5) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(2), one Co(4), and one Co(6) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(2), one Co(5), and one Co(7) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(1), one Co(6), and one Co(8) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(3), and one Co(7) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(2), one Co(4), and one Co(8) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(2), one Co(3), and one Co(7) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(1), one Co(4), and one Co(8) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(5), and one Co(7) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(2), one Co(6), and one Co(8) atom. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(2), one Co(3), and one Co(5) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(1), one Co(4), and one Co(6) atom.
Li(CoO2)4 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(13), one O(15), one O(5), one O(7), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with two equivalent Co(5)O6 octahedra, and edges with two equivalent Co(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-13°. The Li(1)-O(11) bond length is 2.07 Å. The Li(1)-O(13) bond length is 2.07 Å. The Li(1)-O(15) bond length is 2.09 Å. The Li(1)-O(5) bond length is 2.11 Å. The Li(1)-O(7) bond length is 2.04 Å. The Li(1)-O(9) bond length is 2.10 Å. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(14), one O(16), one O(6), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, edges with two equivalent Co(6)O6 octahedra, and edges with two equivalent Co(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-13°. The Li(2)-O(10) bond length is 2.06 Å. The Li(2)-O(12) bond length is 2.09 Å. The Li(2)-O(14) bond length is 2.05 Å. The Li(2)-O(16) bond length is 2.11 Å. The Li(2)-O(6) bond length is 2.09 Å. The Li(2)-O(8) bond length is 2.09 Å. There are eight inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(12), one O(13), one O(16), one O(5), one O(8), and one O(9) atom to form CoO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent 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,  an edgeedge with one Co(7)O6 octahedra, and  an edgeedge with one Co(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-11°. The Co(1)-O(12) bond length is 1.94 Å. The Co(1)-O(13) bond length is 1.93 Å. The Co(1)-O(16) bond length is 1.92 Å. The Co(1)-O(5) bond length is 1.94 Å. The Co(1)-O(8) bond length is 1.93 Å. The Co(1)-O(9) bond length is 1.93 Å. In the second Co site, Co(2) is bonded to one O(10), one O(11), one O(14), one O(15), one O(6), and one O(7) atom to form CoO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent 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,  an edgeedge with one Co(7)O6 octahedra, and  an edgeedge with one Co(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-13°. The Co(2)-O(10) bond length is 2.04 Å. The Co(2)-O(11) bond length is 2.02 Å. The Co(2)-O(14) bond length is 2.04 Å. The Co(2)-O(15) bond length is 2.03 Å. The Co(2)-O(6) bond length is 2.02 Å. The Co(2)-O(7) bond length is 2.05 Å. In the third Co site, Co(3) is bonded to one O(1), one O(11), one O(15), one O(3), one O(5), and one O(9) atom to form CoO6 octahedra that share  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(5)O6 octahedra, and edges with two equivalent Co(7)O6 octahedra. The Co(3)-O(1) bond length is 1.89 Å. The Co(3)-O(11) bond length is 1.90 Å. The Co(3)-O(15) bond length is 1.90 Å. The Co(3)-O(3) bond length is 1.89 Å. The Co(3)-O(5) bond length is 1.89 Å. The Co(3)-O(9) bond length is 1.89 Å. In the fourth Co site, Co(4) is bonded to one O(10), one O(12), one O(16), one O(2), one O(4), and one O(6) atom to form CoO6 octahedra that share  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(6)O6 octahedra, and edges with two equivalent Co(8)O6 octahedra. The Co(4)-O(10) bond length is 1.89 Å. The Co(4)-O(12) bond length is 1.89 Å. The Co(4)-O(16) bond length is 1.89 Å. The Co(4)-O(2) bond length is 1.90 Å. The Co(4)-O(4) bond length is 1.90 Å. The Co(4)-O(6) bond length is 1.90 Å. In the fifth Co site, Co(5) is bonded to one O(1), one O(13), one O(15), one O(3), one O(5), and one O(7) atom to form CoO6 octahedra that share  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(7)O6 octahedra. The Co(5)-O(1) bond length is 1.91 Å. The Co(5)-O(13) bond length is 1.89 Å. The Co(5)-O(15) bond length is 1.89 Å. The Co(5)-O(3) bond length is 1.91 Å. The Co(5)-O(5) bond length is 1.89 Å. The Co(5)-O(7) bond length is 1.88 Å. In the sixth Co site, Co(6) is bonded to one O(14), one O(16), one O(2), one O(4), one O(6), and one O(8) atom to form CoO6 octahedra that share  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Co(8)O6 octahedra. The Co(6)-O(14) bond length is 1.88 Å. The Co(6)-O(16) bond length is 1.89 Å. The Co(6)-O(2) bond length is 1.90 Å. The Co(6)-O(4) bond length is 1.89 Å. The Co(6)-O(6) bond length is 1.89 Å. The Co(6)-O(8) bond length is 1.89 Å. In the seventh Co site, Co(7) is bonded to one O(1), one O(11), one O(13), one O(3), one O(7), and one O(9) atom to form CoO6 octahedra that share  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The Co(7)-O(1) bond length is 1.92 Å. The Co(7)-O(11) bond length is 1.87 Å. The Co(7)-O(13) bond length is 1.88 Å. The Co(7)-O(3) bond length is 1.92 Å. The Co(7)-O(7) bond length is 1.87 Å. The Co(7)-O(9) bond length is 1.88 Å. In the eighth Co site, Co(8) is bonded to one O(10), one O(12), one O(14), one O(2), one O(4), and one O(8) atom to form CoO6 octahedra that share  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The Co(8)-O(10) bond length is 1.88 Å. The Co(8)-O(12) bond length is 1.89 Å. The Co(8)-O(14) bond length is 1.88 Å. The Co(8)-O(2) bond length is 1.91 Å. The Co(8)-O(4) bond length is 1.91 Å. The Co(8)-O(8) bond length is 1.89 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Co(3), one Co(5), and one Co(7) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Co(4), one Co(6), and one Co(8) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Co(3), one Co(5), and one Co(7) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Co(4), one Co(6), and one Co(8) 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(3), and one Co(5) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(2), one Co(4), and one Co(6) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(2), one Co(5), and one Co(7) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(1), one Co(6), and one Co(8) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(3), and one Co(7) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(2), one Co(4), and one Co(8) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(2), one Co(3), and one Co(7) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(1), one Co(4), and one Co(8) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(5), and one Co(7) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(2), one Co(6), and one Co(8) atom. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(2), one Co(3), and one Co(5) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(1), one Co(4), and one Co(6) atom.