Li8(CoO2)5 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(6), and one O(9) atom to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(3), one O(4), and one O(7) atom. In the third Li site, Li(3) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the fourth Li site, Li(4) is bonded to one O(3), one O(6), one O(7), and one O(9) atom to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the fifth Li site, Li(5) is bonded in a rectangular see-saw-like geometry to one O(2), one O(4), one O(5), and one O(8) atom. In the sixth Li site, Li(6) is bonded to one O(10), one O(4), one O(7), and one O(8) atom to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the seventh Li site, Li(7) is bonded to one O(10), one O(3), one O(8), and one O(9) atom to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the eighth Li site, Li(8) is bonded to one O(10), one O(2), one O(5), and one O(9) atom to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. There are five inequivalent Co sites. In the first Co site, Co(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(4), and one O(5) atom. In the second Co site, Co(2) is bonded in a rectangular see-saw-like geometry to one O(2), one O(5), one O(6), and one O(9) atom. In the third Co site, Co(3) is bonded in a square co-planar geometry to one O(10), one O(3), one O(7), and one O(8) atom. In the fourth Co site, Co(4) is bonded in a rectangular see-saw-like geometry to one O(1), one O(3), one O(4), and one O(8) atom. In the fifth Co site, Co(5) is bonded in a square co-planar geometry to one O(10), one O(6), one O(7), and one O(9) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Co(1), and one Co(4) atom to form OLi3Co2 trigonal bipyramids that share  a cornercorner with one O(9)Li4Co2 octahedra,  a cornercorner with one O(7)Li3Co2 trigonal bipyramid,  a cornercorner with one O(8)Li3Co2 trigonal bipyramid, corners with two equivalent O(2)Li3Co2 trigonal bipyramids, corners with two equivalent O(3)Li3Co2 trigonal bipyramids, edges with two equivalent O(4)Li4Co2 octahedra,  an edgeedge with one O(5)Li3Co2 square pyramid, and  an edgeedge with one O(6)Li3Co2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 47°. In the second O site, O(2) is bonded to one Li(1), one Li(5), one Li(8), one Co(1), and one Co(2) atom to form distorted OLi3Co2 trigonal bipyramids that share  a cornercorner with one O(9)Li4Co2 octahedra,  a cornercorner with one O(10)Li3Co2 trigonal bipyramid,  a cornercorner with one O(8)Li3Co2 trigonal bipyramid, corners with two equivalent O(1)Li3Co2 trigonal bipyramids,  an edgeedge with one O(4)Li4Co2 octahedra,  an edgeedge with one O(9)Li4Co2 octahedra, edges with two equivalent O(5)Li3Co2 square pyramids, and  an edgeedge with one O(6)Li3Co2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 10°. In the third O site, O(3) is bonded to one Li(2), one Li(4), one Li(7), one Co(3), and one Co(4) atom to form distorted OLi3Co2 trigonal bipyramids that share  a cornercorner with one O(6)Li3Co2 trigonal bipyramid,  a cornercorner with one O(7)Li3Co2 trigonal bipyramid,  a cornercorner with one O(8)Li3Co2 trigonal bipyramid, corners with two equivalent O(1)Li3Co2 trigonal bipyramids,  an edgeedge with one O(4)Li4Co2 octahedra,  an edgeedge with one O(9)Li4Co2 octahedra,  an edgeedge with one O(10)Li3Co2 trigonal bipyramid,  an edgeedge with one O(7)Li3Co2 trigonal bipyramid, and  an edgeedge with one O(8)Li3Co2 trigonal bipyramid. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), one Li(5), one Li(6), one Co(1), and one Co(4) atom to form a mixture of distorted corner and edge-sharing OLi4Co2 octahedra. In the fifth O site, O(5) is bonded to one Li(3), one Li(5), one Li(8), one Co(1), and one Co(2) atom to form distorted OLi3Co2 square pyramids that share  a cornercorner with one O(4)Li4Co2 octahedra,  a cornercorner with one O(10)Li3Co2 trigonal bipyramid,  a cornercorner with one O(8)Li3Co2 trigonal bipyramid, corners with two equivalent O(6)Li3Co2 trigonal bipyramids,  an edgeedge with one O(4)Li4Co2 octahedra,  an edgeedge with one O(9)Li4Co2 octahedra,  an edgeedge with one O(1)Li3Co2 trigonal bipyramid, and edges with two equivalent O(2)Li3Co2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 10°. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Li(4), one Co(2), and one Co(5) atom to form OLi3Co2 trigonal bipyramids that share  a cornercorner with one O(4)Li4Co2 octahedra, corners with two equivalent O(5)Li3Co2 square pyramids,  a cornercorner with one O(10)Li3Co2 trigonal bipyramid,  a cornercorner with one O(3)Li3Co2 trigonal bipyramid, corners with two equivalent O(7)Li3Co2 trigonal bipyramids, edges with two equivalent O(9)Li4Co2 octahedra,  an edgeedge with one O(1)Li3Co2 trigonal bipyramid, and  an edgeedge with one O(2)Li3Co2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 48°. In the seventh O site, O(7) is bonded to one Li(2), one Li(4), one Li(6), one Co(3), and one Co(5) atom to form distorted OLi3Co2 trigonal bipyramids that share  a cornercorner with one O(1)Li3Co2 trigonal bipyramid,  a cornercorner with one O(10)Li3Co2 trigonal bipyramid,  a cornercorner with one O(3)Li3Co2 trigonal bipyramid, corners with two equivalent O(6)Li3Co2 trigonal bipyramids,  an edgeedge with one O(4)Li4Co2 octahedra,  an edgeedge with one O(9)Li4Co2 octahedra,  an edgeedge with one O(10)Li3Co2 trigonal bipyramid,  an edgeedge with one O(3)Li3Co2 trigonal bipyramid, and  an edgeedge with one O(8)Li3Co2 trigonal bipyramid. In the eighth O site, O(8) is bonded to one Li(5), one Li(6), one Li(7), one Co(3), and one Co(4) atom to form OLi3Co2 trigonal bipyramids that share  a cornercorner with one O(4)Li4Co2 octahedra,  a cornercorner with one O(9)Li4Co2 octahedra,  a cornercorner with one O(5)Li3Co2 square pyramid,  a cornercorner with one O(1)Li3Co2 trigonal bipyramid,  a cornercorner with one O(10)Li3Co2 trigonal bipyramid,  a cornercorner with one O(2)Li3Co2 trigonal bipyramid,  a cornercorner with one O(3)Li3Co2 trigonal bipyramid,  an edgeedge with one O(4)Li4Co2 octahedra,  an edgeedge with one O(10)Li3Co2 trigonal bipyramid,  an edgeedge with one O(3)Li3Co2 trigonal bipyramid, and  an edgeedge with one O(7)Li3Co2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 7-49°. In the ninth O site, O(9) is bonded to one Li(1), one Li(4), one Li(7), one Li(8), one Co(2), and one Co(5) atom to form a mixture of distorted corner and edge-sharing OLi4Co2 octahedra. In the tenth O site, O(10) is bonded to one Li(6), one Li(7), one Li(8), one Co(3), and one Co(5) atom to form OLi3Co2 trigonal bipyramids that share  a cornercorner with one O(4)Li4Co2 octahedra,  a cornercorner with one O(9)Li4Co2 octahedra,  a cornercorner with one O(5)Li3Co2 square pyramid,  a cornercorner with one O(2)Li3Co2 trigonal bipyramid,  a cornercorner with one O(6)Li3Co2 trigonal bipyramid,  a cornercorner with one O(7)Li3Co2 trigonal bipyramid,  a cornercorner with one O(8)Li3Co2 trigonal bipyramid,  an edgeedge with one O(9)Li4Co2 octahedra,  an edgeedge with one O(3)Li3Co2 trigonal bipyramid,  an edgeedge with one O(7)Li3Co2 trigonal bipyramid, and  an edgeedge with one O(8)Li3Co2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 4-47°.
Li8(CoO2)5 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(6), and one O(9) atom to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. The Li(1)-O(1) bond length is 1.90 Å. The Li(1)-O(2) bond length is 1.94 Å. The Li(1)-O(6) bond length is 2.01 Å. The Li(1)-O(9) bond length is 2.06 Å. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(3), one O(4), and one O(7) atom. The Li(2)-O(1) bond length is 1.92 Å. The Li(2)-O(3) bond length is 2.04 Å. The Li(2)-O(4) bond length is 2.00 Å. The Li(2)-O(7) bond length is 2.01 Å. In the third Li site, Li(3) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. The Li(3)-O(1) bond length is 1.99 Å. The Li(3)-O(4) bond length is 2.01 Å. The Li(3)-O(5) bond length is 2.03 Å. The Li(3)-O(6) bond length is 1.97 Å. In the fourth Li site, Li(4) is bonded to one O(3), one O(6), one O(7), and one O(9) atom to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. The Li(4)-O(3) bond length is 1.96 Å. The Li(4)-O(6) bond length is 1.95 Å. The Li(4)-O(7) bond length is 2.01 Å. The Li(4)-O(9) bond length is 2.09 Å. In the fifth Li site, Li(5) is bonded in a rectangular see-saw-like geometry to one O(2), one O(4), one O(5), and one O(8) atom. The Li(5)-O(2) bond length is 2.07 Å. The Li(5)-O(4) bond length is 2.00 Å. The Li(5)-O(5) bond length is 1.97 Å. The Li(5)-O(8) bond length is 1.95 Å. In the sixth Li site, Li(6) is bonded to one O(10), one O(4), one O(7), and one O(8) atom to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. The Li(6)-O(10) bond length is 1.96 Å. The Li(6)-O(4) bond length is 1.99 Å. The Li(6)-O(7) bond length is 1.97 Å. The Li(6)-O(8) bond length is 1.98 Å. In the seventh Li site, Li(7) is bonded to one O(10), one O(3), one O(8), and one O(9) atom to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. The Li(7)-O(10) bond length is 1.97 Å. The Li(7)-O(3) bond length is 1.97 Å. The Li(7)-O(8) bond length is 1.94 Å. The Li(7)-O(9) bond length is 2.05 Å. In the eighth Li site, Li(8) is bonded to one O(10), one O(2), one O(5), and one O(9) atom to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. The Li(8)-O(10) bond length is 1.94 Å. The Li(8)-O(2) bond length is 1.95 Å. The Li(8)-O(5) bond length is 1.96 Å. The Li(8)-O(9) bond length is 2.00 Å. There are five inequivalent Co sites. In the first Co site, Co(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(4), and one O(5) atom. The Co(1)-O(1) bond length is 1.95 Å. The Co(1)-O(2) bond length is 1.97 Å. The Co(1)-O(4) bond length is 2.01 Å. The Co(1)-O(5) bond length is 2.01 Å. In the second Co site, Co(2) is bonded in a rectangular see-saw-like geometry to one O(2), one O(5), one O(6), and one O(9) atom. The Co(2)-O(2) bond length is 1.85 Å. The Co(2)-O(5) bond length is 1.85 Å. The Co(2)-O(6) bond length is 1.86 Å. The Co(2)-O(9) bond length is 1.89 Å. In the third Co site, Co(3) is bonded in a square co-planar geometry to one O(10), one O(3), one O(7), and one O(8) atom. The Co(3)-O(10) bond length is 1.86 Å. The Co(3)-O(3) bond length is 1.86 Å. The Co(3)-O(7) bond length is 1.87 Å. The Co(3)-O(8) bond length is 1.85 Å. In the fourth Co site, Co(4) is bonded in a rectangular see-saw-like geometry to one O(1), one O(3), one O(4), and one O(8) atom. The Co(4)-O(1) bond length is 1.95 Å. The Co(4)-O(3) bond length is 2.02 Å. The Co(4)-O(4) bond length is 2.01 Å. The Co(4)-O(8) bond length is 2.00 Å. In the fifth Co site, Co(5) is bonded in a square co-planar geometry to one O(10), one O(6), one O(7), and one O(9) atom. The Co(5)-O(10) bond length is 1.97 Å. The Co(5)-O(6) bond length is 1.98 Å. The Co(5)-O(7) bond length is 1.99 Å. The Co(5)-O(9) bond length is 2.02 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Co(1), and one Co(4) atom to form OLi3Co2 trigonal bipyramids that share  a cornercorner with one O(9)Li4Co2 octahedra,  a cornercorner with one O(7)Li3Co2 trigonal bipyramid,  a cornercorner with one O(8)Li3Co2 trigonal bipyramid, corners with two equivalent O(2)Li3Co2 trigonal bipyramids, corners with two equivalent O(3)Li3Co2 trigonal bipyramids, edges with two equivalent O(4)Li4Co2 octahedra,  an edgeedge with one O(5)Li3Co2 square pyramid, and  an edgeedge with one O(6)Li3Co2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 47°. In the second O site, O(2) is bonded to one Li(1), one Li(5), one Li(8), one Co(1), and one Co(2) atom to form distorted OLi3Co2 trigonal bipyramids that share  a cornercorner with one O(9)Li4Co2 octahedra,  a cornercorner with one O(10)Li3Co2 trigonal bipyramid,  a cornercorner with one O(8)Li3Co2 trigonal bipyramid, corners with two equivalent O(1)Li3Co2 trigonal bipyramids,  an edgeedge with one O(4)Li4Co2 octahedra,  an edgeedge with one O(9)Li4Co2 octahedra, edges with two equivalent O(5)Li3Co2 square pyramids, and  an edgeedge with one O(6)Li3Co2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 10°. In the third O site, O(3) is bonded to one Li(2), one Li(4), one Li(7), one Co(3), and one Co(4) atom to form distorted OLi3Co2 trigonal bipyramids that share  a cornercorner with one O(6)Li3Co2 trigonal bipyramid,  a cornercorner with one O(7)Li3Co2 trigonal bipyramid,  a cornercorner with one O(8)Li3Co2 trigonal bipyramid, corners with two equivalent O(1)Li3Co2 trigonal bipyramids,  an edgeedge with one O(4)Li4Co2 octahedra,  an edgeedge with one O(9)Li4Co2 octahedra,  an edgeedge with one O(10)Li3Co2 trigonal bipyramid,  an edgeedge with one O(7)Li3Co2 trigonal bipyramid, and  an edgeedge with one O(8)Li3Co2 trigonal bipyramid. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), one Li(5), one Li(6), one Co(1), and one Co(4) atom to form a mixture of distorted corner and edge-sharing OLi4Co2 octahedra. In the fifth O site, O(5) is bonded to one Li(3), one Li(5), one Li(8), one Co(1), and one Co(2) atom to form distorted OLi3Co2 square pyramids that share  a cornercorner with one O(4)Li4Co2 octahedra,  a cornercorner with one O(10)Li3Co2 trigonal bipyramid,  a cornercorner with one O(8)Li3Co2 trigonal bipyramid, corners with two equivalent O(6)Li3Co2 trigonal bipyramids,  an edgeedge with one O(4)Li4Co2 octahedra,  an edgeedge with one O(9)Li4Co2 octahedra,  an edgeedge with one O(1)Li3Co2 trigonal bipyramid, and edges with two equivalent O(2)Li3Co2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 10°. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Li(4), one Co(2), and one Co(5) atom to form OLi3Co2 trigonal bipyramids that share  a cornercorner with one O(4)Li4Co2 octahedra, corners with two equivalent O(5)Li3Co2 square pyramids,  a cornercorner with one O(10)Li3Co2 trigonal bipyramid,  a cornercorner with one O(3)Li3Co2 trigonal bipyramid, corners with two equivalent O(7)Li3Co2 trigonal bipyramids, edges with two equivalent O(9)Li4Co2 octahedra,  an edgeedge with one O(1)Li3Co2 trigonal bipyramid, and  an edgeedge with one O(2)Li3Co2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 48°. In the seventh O site, O(7) is bonded to one Li(2), one Li(4), one Li(6), one Co(3), and one Co(5) atom to form distorted OLi3Co2 trigonal bipyramids that share  a cornercorner with one O(1)Li3Co2 trigonal bipyramid,  a cornercorner with one O(10)Li3Co2 trigonal bipyramid,  a cornercorner with one O(3)Li3Co2 trigonal bipyramid, corners with two equivalent O(6)Li3Co2 trigonal bipyramids,  an edgeedge with one O(4)Li4Co2 octahedra,  an edgeedge with one O(9)Li4Co2 octahedra,  an edgeedge with one O(10)Li3Co2 trigonal bipyramid,  an edgeedge with one O(3)Li3Co2 trigonal bipyramid, and  an edgeedge with one O(8)Li3Co2 trigonal bipyramid. In the eighth O site, O(8) is bonded to one Li(5), one Li(6), one Li(7), one Co(3), and one Co(4) atom to form OLi3Co2 trigonal bipyramids that share  a cornercorner with one O(4)Li4Co2 octahedra,  a cornercorner with one O(9)Li4Co2 octahedra,  a cornercorner with one O(5)Li3Co2 square pyramid,  a cornercorner with one O(1)Li3Co2 trigonal bipyramid,  a cornercorner with one O(10)Li3Co2 trigonal bipyramid,  a cornercorner with one O(2)Li3Co2 trigonal bipyramid,  a cornercorner with one O(3)Li3Co2 trigonal bipyramid,  an edgeedge with one O(4)Li4Co2 octahedra,  an edgeedge with one O(10)Li3Co2 trigonal bipyramid,  an edgeedge with one O(3)Li3Co2 trigonal bipyramid, and  an edgeedge with one O(7)Li3Co2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 7-49°. In the ninth O site, O(9) is bonded to one Li(1), one Li(4), one Li(7), one Li(8), one Co(2), and one Co(5) atom to form a mixture of distorted corner and edge-sharing OLi4Co2 octahedra. In the tenth O site, O(10) is bonded to one Li(6), one Li(7), one Li(8), one Co(3), and one Co(5) atom to form OLi3Co2 trigonal bipyramids that share  a cornercorner with one O(4)Li4Co2 octahedra,  a cornercorner with one O(9)Li4Co2 octahedra,  a cornercorner with one O(5)Li3Co2 square pyramid,  a cornercorner with one O(2)Li3Co2 trigonal bipyramid,  a cornercorner with one O(6)Li3Co2 trigonal bipyramid,  a cornercorner with one O(7)Li3Co2 trigonal bipyramid,  a cornercorner with one O(8)Li3Co2 trigonal bipyramid,  an edgeedge with one O(9)Li4Co2 octahedra,  an edgeedge with one O(3)Li3Co2 trigonal bipyramid,  an edgeedge with one O(7)Li3Co2 trigonal bipyramid, and  an edgeedge with one O(8)Li3Co2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 4-47°.