LiCo2O3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with ten equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, edges with five equivalent Li(1)O6 octahedra, and edges with seven equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1) and four equivalent Co(1) atoms to form a mixture of corner and edge-sharing OLi2Co4 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second O site, O(2) is bonded to two equivalent Li(1) and four equivalent Co(1) atoms to form a mixture of corner and edge-sharing OLi2Co4 octahedra. The corner-sharing octahedral tilt angles range from 0-7°.
LiCo2O3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with ten equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. Both Li(1)-O(1) bond lengths are 2.08 Å. All Li(1)-O(2) bond lengths are 2.16 Å. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, edges with five equivalent Li(1)O6 octahedra, and edges with seven equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. Both Co(1)-O(1) bond lengths are 2.07 Å. There are two shorter (2.02 Å) and two longer (2.09 Å) Co(1)-O(2) bond lengths. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1) and four equivalent Co(1) atoms to form a mixture of corner and edge-sharing OLi2Co4 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second O site, O(2) is bonded to two equivalent Li(1) and four equivalent Co(1) atoms to form a mixture of corner and edge-sharing OLi2Co4 octahedra. The corner-sharing octahedral tilt angles range from 0-7°.