Li(CoO2)2 is Spinel structured and crystallizes in the cubic P4_332 space group. Li(1) is bonded to one O(2) and three equivalent O(1) atoms to form LiO4 tetrahedra that share corners with three equivalent Co(2)O6 octahedra and corners with nine equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-61°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. In the second Co site, Co(2) is bonded to six equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra and edges with six equivalent Co(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Co(2), and two equivalent Co(1) atoms to form a mixture of distorted corner and edge-sharing OLiCo3 tetrahedra. In the second O site, O(2) is bonded to one Li(1) and three equivalent Co(1) atoms to form a mixture of distorted corner and edge-sharing OLiCo3 trigonal pyramids.
Li(CoO2)2 is Spinel structured and crystallizes in the cubic P4_332 space group. Li(1) is bonded to one O(2) and three equivalent O(1) atoms to form LiO4 tetrahedra that share corners with three equivalent Co(2)O6 octahedra and corners with nine equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-61°. The Li(1)-O(2) bond length is 1.94 Å. All Li(1)-O(1) bond lengths are 1.94 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. Both Co(1)-O(2) bond lengths are 1.90 Å. All Co(1)-O(1) bond lengths are 1.90 Å. In the second Co site, Co(2) is bonded to six equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra and edges with six equivalent Co(1)O6 octahedra. All Co(2)-O(1) bond lengths are 1.91 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Co(2), and two equivalent Co(1) atoms to form a mixture of distorted corner and edge-sharing OLiCo3 tetrahedra. In the second O site, O(2) is bonded to one Li(1) and three equivalent Co(1) atoms to form a mixture of distorted corner and edge-sharing OLiCo3 trigonal pyramids.