Lix0CoO2 crystallizes in the monoclinic Cm space group. There are twelve inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form CoO6 octahedra that share  a cornercorner with one Co(12)O4 tetrahedra, corners with two equivalent Co(5)O4 tetrahedra,  an edgeedge with one Co(11)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. In the second Co site, Co(2) is bonded to one O(4), one O(9), two equivalent O(5), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with three equivalent Co(5)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. In the third Co site, Co(3) is bonded to one O(15), one O(7), and two equivalent O(10) atoms to form corner-sharing CoO4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-57°. In the fourth Co site, Co(4) is bonded to one O(11), one O(12), one O(14), one O(5), one O(7), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Co(3)O4 tetrahedra,  a cornercorner with one Co(5)O4 tetrahedra, corners with two equivalent Co(8)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. In the fifth Co site, Co(5) is bonded to one O(14), one O(4), and two equivalent O(6) atoms to form corner-sharing CoO4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-59°. In the sixth Co site, Co(6) is bonded to one O(13), one O(21), and two equivalent O(17) atoms to form corner-sharing CoO4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-56°. In the seventh Co site, Co(7) is bonded to one O(10), one O(13), one O(15), one O(16), one O(18), and one O(20) atom to form CoO6 octahedra that share  a cornercorner with one Co(6)O4 tetrahedra,  a cornercorner with one Co(8)O4 tetrahedra, corners with two equivalent Co(10)O4 tetrahedra, corners with two equivalent Co(3)O4 tetrahedra, and edges with two equivalent Co(7)O6 octahedra. In the eighth Co site, Co(8) is bonded to one O(11), one O(20), and two equivalent O(12) atoms to form corner-sharing CoO4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-56°. In the ninth Co site, Co(9) is bonded to one O(17), one O(19), one O(21), one O(22), one O(23), and one O(24) atom to form CoO6 octahedra that share  a cornercorner with one Co(10)O4 tetrahedra, corners with two equivalent Co(12)O4 tetrahedra, corners with two equivalent Co(6)O4 tetrahedra,  an edgeedge with one Co(11)O6 octahedra, and edges with two equivalent Co(9)O6 octahedra. In the tenth Co site, Co(10) is bonded to one O(16), one O(24), and two equivalent O(18) atoms to form corner-sharing CoO4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-57°. In the eleventh Co site, Co(11) is bonded to one O(22), one O(3), two equivalent O(1), and two equivalent O(23) atoms to form CoO6 octahedra that share corners with three equivalent Co(12)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(9)O6 octahedra. In the twelfth Co site, Co(12) is bonded to one O(22), one O(8), and two equivalent O(23) atoms to form corner-sharing CoO4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-60°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Co(1) and one Co(11) atom. In the second O site, O(2) is bonded in a water-like geometry to two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Co(11) and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal pyramidal geometry to one Co(2), one Co(5), and two equivalent Co(1) atoms. In the fifth O site, O(5) is bonded in a water-like geometry to one Co(2) and one Co(4) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(5) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Co(3) and two equivalent Co(4) atoms. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Co(12) and two equivalent Co(1) atoms. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Co(2) and two equivalent Co(4) atoms. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Co(3) and one Co(7) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Co(8) and two equivalent Co(4) atoms. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Co(4) and one Co(8) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Co(6) and two equivalent Co(7) atoms. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Co(5) and two equivalent Co(4) atoms. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one Co(3) and two equivalent Co(7) atoms. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Co(10) and two equivalent Co(7) atoms. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one Co(6) and one Co(9) atom. In the eighteenth O site, O(18) is bonded in a bent 120 degrees geometry to one Co(10) and one Co(7) atom. In the nineteenth O site, O(19) is bonded in a water-like geometry to two equivalent Co(9) atoms. In the twentieth O site, O(20) is bonded in a trigonal planar geometry to one Co(8) and two equivalent Co(7) atoms. In the twenty-first O site, O(21) is bonded in a distorted trigonal planar geometry to one Co(6) and two equivalent Co(9) atoms. In the twenty-second O site, O(22) is bonded in a distorted trigonal pyramidal geometry to one Co(11), one Co(12), and two equivalent Co(9) atoms. In the twenty-third O site, O(23) is bonded in a trigonal planar geometry to one Co(11), one Co(12), and one Co(9) atom. In the twenty-fourth O site, O(24) is bonded in a trigonal planar geometry to one Co(10) and two equivalent Co(9) atoms.
Lix0CoO2 crystallizes in the monoclinic Cm space group. There are twelve inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form CoO6 octahedra that share  a cornercorner with one Co(12)O4 tetrahedra, corners with two equivalent Co(5)O4 tetrahedra,  an edgeedge with one Co(11)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The Co(1)-O(1) bond length is 1.80 Å. The Co(1)-O(2) bond length is 1.80 Å. The Co(1)-O(3) bond length is 1.89 Å. The Co(1)-O(4) bond length is 1.97 Å. The Co(1)-O(6) bond length is 1.91 Å. The Co(1)-O(8) bond length is 1.92 Å. In the second Co site, Co(2) is bonded to one O(4), one O(9), two equivalent O(5), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with three equivalent Co(5)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The Co(2)-O(4) bond length is 1.97 Å. The Co(2)-O(9) bond length is 1.88 Å. Both Co(2)-O(5) bond lengths are 1.80 Å. Both Co(2)-O(6) bond lengths are 1.90 Å. In the third Co site, Co(3) is bonded to one O(15), one O(7), and two equivalent O(10) atoms to form corner-sharing CoO4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-57°. The Co(3)-O(15) bond length is 1.91 Å. The Co(3)-O(7) bond length is 1.85 Å. Both Co(3)-O(10) bond lengths are 1.75 Å. In the fourth Co site, Co(4) is bonded to one O(11), one O(12), one O(14), one O(5), one O(7), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Co(3)O4 tetrahedra,  a cornercorner with one Co(5)O4 tetrahedra, corners with two equivalent Co(8)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The Co(4)-O(11) bond length is 1.87 Å. The Co(4)-O(12) bond length is 1.83 Å. The Co(4)-O(14) bond length is 1.91 Å. The Co(4)-O(5) bond length is 1.82 Å. The Co(4)-O(7) bond length is 1.91 Å. The Co(4)-O(9) bond length is 1.89 Å. In the fifth Co site, Co(5) is bonded to one O(14), one O(4), and two equivalent O(6) atoms to form corner-sharing CoO4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-59°. The Co(5)-O(14) bond length is 1.84 Å. The Co(5)-O(4) bond length is 1.91 Å. Both Co(5)-O(6) bond lengths are 1.85 Å. In the sixth Co site, Co(6) is bonded to one O(13), one O(21), and two equivalent O(17) atoms to form corner-sharing CoO4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-56°. The Co(6)-O(13) bond length is 1.90 Å. The Co(6)-O(21) bond length is 1.86 Å. Both Co(6)-O(17) bond lengths are 1.74 Å. In the seventh Co site, Co(7) is bonded to one O(10), one O(13), one O(15), one O(16), one O(18), and one O(20) atom to form CoO6 octahedra that share  a cornercorner with one Co(6)O4 tetrahedra,  a cornercorner with one Co(8)O4 tetrahedra, corners with two equivalent Co(10)O4 tetrahedra, corners with two equivalent Co(3)O4 tetrahedra, and edges with two equivalent Co(7)O6 octahedra. The Co(7)-O(10) bond length is 1.84 Å. The Co(7)-O(13) bond length is 1.89 Å. The Co(7)-O(15) bond length is 1.90 Å. The Co(7)-O(16) bond length is 1.91 Å. The Co(7)-O(18) bond length is 1.84 Å. The Co(7)-O(20) bond length is 1.90 Å. In the eighth Co site, Co(8) is bonded to one O(11), one O(20), and two equivalent O(12) atoms to form corner-sharing CoO4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-56°. The Co(8)-O(11) bond length is 1.90 Å. The Co(8)-O(20) bond length is 1.88 Å. Both Co(8)-O(12) bond lengths are 1.75 Å. In the ninth Co site, Co(9) is bonded to one O(17), one O(19), one O(21), one O(22), one O(23), and one O(24) atom to form CoO6 octahedra that share  a cornercorner with one Co(10)O4 tetrahedra, corners with two equivalent Co(12)O4 tetrahedra, corners with two equivalent Co(6)O4 tetrahedra,  an edgeedge with one Co(11)O6 octahedra, and edges with two equivalent Co(9)O6 octahedra. The Co(9)-O(17) bond length is 1.85 Å. The Co(9)-O(19) bond length is 1.81 Å. The Co(9)-O(21) bond length is 1.90 Å. The Co(9)-O(22) bond length is 1.97 Å. The Co(9)-O(23) bond length is 1.87 Å. The Co(9)-O(24) bond length is 1.91 Å. In the tenth Co site, Co(10) is bonded to one O(16), one O(24), and two equivalent O(18) atoms to form corner-sharing CoO4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-57°. The Co(10)-O(16) bond length is 1.91 Å. The Co(10)-O(24) bond length is 1.87 Å. Both Co(10)-O(18) bond lengths are 1.75 Å. In the eleventh Co site, Co(11) is bonded to one O(22), one O(3), two equivalent O(1), and two equivalent O(23) atoms to form CoO6 octahedra that share corners with three equivalent Co(12)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(9)O6 octahedra. The Co(11)-O(22) bond length is 1.97 Å. The Co(11)-O(3) bond length is 1.89 Å. Both Co(11)-O(1) bond lengths are 1.80 Å. Both Co(11)-O(23) bond lengths are 1.93 Å. In the twelfth Co site, Co(12) is bonded to one O(22), one O(8), and two equivalent O(23) atoms to form corner-sharing CoO4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-60°. The Co(12)-O(22) bond length is 1.94 Å. The Co(12)-O(8) bond length is 1.83 Å. Both Co(12)-O(23) bond lengths are 1.86 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Co(1) and one Co(11) atom. In the second O site, O(2) is bonded in a water-like geometry to two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Co(11) and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal pyramidal geometry to one Co(2), one Co(5), and two equivalent Co(1) atoms. In the fifth O site, O(5) is bonded in a water-like geometry to one Co(2) and one Co(4) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(5) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Co(3) and two equivalent Co(4) atoms. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Co(12) and two equivalent Co(1) atoms. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Co(2) and two equivalent Co(4) atoms. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Co(3) and one Co(7) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Co(8) and two equivalent Co(4) atoms. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Co(4) and one Co(8) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Co(6) and two equivalent Co(7) atoms. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Co(5) and two equivalent Co(4) atoms. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one Co(3) and two equivalent Co(7) atoms. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Co(10) and two equivalent Co(7) atoms. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one Co(6) and one Co(9) atom. In the eighteenth O site, O(18) is bonded in a bent 120 degrees geometry to one Co(10) and one Co(7) atom. In the nineteenth O site, O(19) is bonded in a water-like geometry to two equivalent Co(9) atoms. In the twentieth O site, O(20) is bonded in a trigonal planar geometry to one Co(8) and two equivalent Co(7) atoms. In the twenty-first O site, O(21) is bonded in a distorted trigonal planar geometry to one Co(6) and two equivalent Co(9) atoms. In the twenty-second O site, O(22) is bonded in a distorted trigonal pyramidal geometry to one Co(11), one Co(12), and two equivalent Co(9) atoms. In the twenty-third O site, O(23) is bonded in a trigonal planar geometry to one Co(11), one Co(12), and one Co(9) atom. In the twenty-fourth O site, O(24) is bonded in a trigonal planar geometry to one Co(10) and two equivalent Co(9) atoms.