Li6(CoO2)5 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(3), one O(6), and one O(9) atom. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(5), one O(7), and one O(8) atom. In the third Li site, Li(3) is bonded to one O(2), one O(4), one O(8), and one O(9) atom to form distorted edge-sharing LiO4 trigonal pyramids. In the fourth Li site, Li(4) is bonded to one O(1), one O(5), one O(6), and one O(7) atom to form distorted corner-sharing LiO4 trigonal pyramids. In the fifth Li site, Li(5) is bonded to one O(1), one O(10), one O(4), and one O(9) atom to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the sixth Li site, Li(6) is bonded in a distorted rectangular see-saw-like geometry to one O(10), one O(2), one O(5), and one O(8) atom. 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(4), one O(6), and one O(9) atom. In the second Co site, Co(2) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), one O(7), and one O(8) atom. In the third Co site, Co(3) is bonded in a distorted square co-planar geometry to one O(3), one O(4), one O(8), and one O(9) atom. In the fourth Co site, Co(4) is bonded in a rectangular see-saw-like geometry to one O(1), one O(10), one O(5), and one O(6) atom. In the fifth Co site, Co(5) is bonded in a rectangular see-saw-like geometry to one O(10), one O(2), one O(5), and one O(7) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(4), one Li(5), one Co(1), and one Co(4) atom to form distorted OLi3Co2 trigonal bipyramids that share  a cornercorner with one O(9)Li3Co2 square pyramid,  a cornercorner with one O(3)Li2Co2 tetrahedra, corners with two equivalent O(10)Li2Co2 tetrahedra,  an edgeedge with one O(9)Li3Co2 square pyramid, and  an edgeedge with one O(5)Li3Co2 trigonal bipyramid. In the second O site, O(2) is bonded in a see-saw-like geometry to one Li(3), one Li(6), one Co(2), and one Co(5) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Co(2), and one Co(3) atom to form a mixture of corner and edge-sharing OLi2Co2 tetrahedra. In the fourth O site, O(4) is bonded in a see-saw-like geometry to one Li(3), one Li(5), one Co(1), and one Co(3) atom. In the fifth O site, O(5) is bonded to one Li(2), one Li(4), one Li(6), one Co(4), and one Co(5) atom to form distorted OLi3Co2 trigonal bipyramids that share  a cornercorner with one O(10)Li2Co2 tetrahedra,  a cornercorner with one O(3)Li2Co2 tetrahedra,  an edgeedge with one O(8)Li3Co2 square pyramid,  an edgeedge with one O(10)Li2Co2 tetrahedra, and  an edgeedge with one O(1)Li3Co2 trigonal bipyramid. In the sixth O site, O(6) is bonded in a see-saw-like geometry to one Li(1), one Li(4), one Co(1), and one Co(4) atom. In the seventh O site, O(7) is bonded in a see-saw-like geometry to one Li(2), one Li(4), one Co(2), and one Co(5) atom. In the eighth O site, O(8) is bonded to one Li(2), one Li(3), one Li(6), one Co(2), and one Co(3) atom to form distorted OLi3Co2 square pyramids that share  a cornercorner with one O(10)Li2Co2 tetrahedra,  a cornercorner with one O(3)Li2Co2 tetrahedra,  an edgeedge with one O(9)Li3Co2 square pyramid,  an edgeedge with one O(3)Li2Co2 tetrahedra, and  an edgeedge with one O(5)Li3Co2 trigonal bipyramid. In the ninth O site, O(9) is bonded to one Li(1), one Li(3), one Li(5), one Co(1), and one Co(3) atom to form distorted OLi3Co2 square pyramids that share  a cornercorner with one O(10)Li2Co2 tetrahedra, corners with two equivalent O(3)Li2Co2 tetrahedra,  a cornercorner with one O(1)Li3Co2 trigonal bipyramid,  an edgeedge with one O(8)Li3Co2 square pyramid, and  an edgeedge with one O(1)Li3Co2 trigonal bipyramid. In the tenth O site, O(10) is bonded to one Li(5), one Li(6), one Co(4), and one Co(5) atom to form a mixture of corner and edge-sharing OLi2Co2 tetrahedra.
Li6(CoO2)5 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(3), one O(6), and one O(9) atom. The Li(1)-O(1) bond length is 2.06 Å. The Li(1)-O(3) bond length is 1.92 Å. The Li(1)-O(6) bond length is 2.01 Å. The Li(1)-O(9) bond length is 2.02 Å. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(5), one O(7), and one O(8) atom. The Li(2)-O(3) bond length is 1.91 Å. The Li(2)-O(5) bond length is 2.08 Å. The Li(2)-O(7) bond length is 1.99 Å. The Li(2)-O(8) bond length is 2.02 Å. In the third Li site, Li(3) is bonded to one O(2), one O(4), one O(8), and one O(9) atom to form distorted edge-sharing LiO4 trigonal pyramids. The Li(3)-O(2) bond length is 1.97 Å. The Li(3)-O(4) bond length is 1.96 Å. The Li(3)-O(8) bond length is 2.05 Å. The Li(3)-O(9) bond length is 2.05 Å. In the fourth Li site, Li(4) is bonded to one O(1), one O(5), one O(6), and one O(7) atom to form distorted corner-sharing LiO4 trigonal pyramids. The Li(4)-O(1) bond length is 2.00 Å. The Li(4)-O(5) bond length is 2.01 Å. The Li(4)-O(6) bond length is 1.92 Å. The Li(4)-O(7) bond length is 1.93 Å. In the fifth Li site, Li(5) is bonded to one O(1), one O(10), one O(4), and one O(9) atom to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. The Li(5)-O(1) bond length is 2.08 Å. The Li(5)-O(10) bond length is 1.93 Å. The Li(5)-O(4) bond length is 1.94 Å. The Li(5)-O(9) bond length is 2.04 Å. In the sixth Li site, Li(6) is bonded in a distorted rectangular see-saw-like geometry to one O(10), one O(2), one O(5), and one O(8) atom. The Li(6)-O(10) bond length is 1.98 Å. The Li(6)-O(2) bond length is 1.97 Å. The Li(6)-O(5) bond length is 2.08 Å. The Li(6)-O(8) bond length is 2.03 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(4), one O(6), and one O(9) atom. The Co(1)-O(1) bond length is 1.89 Å. The Co(1)-O(4) bond length is 1.81 Å. The Co(1)-O(6) bond length is 1.86 Å. The Co(1)-O(9) bond length is 1.84 Å. In the second Co site, Co(2) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), one O(7), and one O(8) atom. The Co(2)-O(2) bond length is 1.86 Å. The Co(2)-O(3) bond length is 1.81 Å. The Co(2)-O(7) bond length is 1.85 Å. The Co(2)-O(8) bond length is 1.84 Å. In the third Co site, Co(3) is bonded in a distorted square co-planar geometry to one O(3), one O(4), one O(8), and one O(9) atom. The Co(3)-O(3) bond length is 1.94 Å. The Co(3)-O(4) bond length is 1.94 Å. The Co(3)-O(8) bond length is 2.00 Å. The Co(3)-O(9) bond length is 1.98 Å. In the fourth Co site, Co(4) is bonded in a rectangular see-saw-like geometry to one O(1), one O(10), one O(5), and one O(6) atom. The Co(4)-O(1) bond length is 1.89 Å. The Co(4)-O(10) bond length is 1.89 Å. The Co(4)-O(5) bond length is 1.93 Å. The Co(4)-O(6) bond length is 1.86 Å. In the fifth Co site, Co(5) is bonded in a rectangular see-saw-like geometry to one O(10), one O(2), one O(5), and one O(7) atom. The Co(5)-O(10) bond length is 1.84 Å. The Co(5)-O(2) bond length is 1.84 Å. The Co(5)-O(5) bond length is 1.87 Å. The Co(5)-O(7) bond length is 1.84 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(4), one Li(5), one Co(1), and one Co(4) atom to form distorted OLi3Co2 trigonal bipyramids that share  a cornercorner with one O(9)Li3Co2 square pyramid,  a cornercorner with one O(3)Li2Co2 tetrahedra, corners with two equivalent O(10)Li2Co2 tetrahedra,  an edgeedge with one O(9)Li3Co2 square pyramid, and  an edgeedge with one O(5)Li3Co2 trigonal bipyramid. In the second O site, O(2) is bonded in a see-saw-like geometry to one Li(3), one Li(6), one Co(2), and one Co(5) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Co(2), and one Co(3) atom to form a mixture of corner and edge-sharing OLi2Co2 tetrahedra. In the fourth O site, O(4) is bonded in a see-saw-like geometry to one Li(3), one Li(5), one Co(1), and one Co(3) atom. In the fifth O site, O(5) is bonded to one Li(2), one Li(4), one Li(6), one Co(4), and one Co(5) atom to form distorted OLi3Co2 trigonal bipyramids that share  a cornercorner with one O(10)Li2Co2 tetrahedra,  a cornercorner with one O(3)Li2Co2 tetrahedra,  an edgeedge with one O(8)Li3Co2 square pyramid,  an edgeedge with one O(10)Li2Co2 tetrahedra, and  an edgeedge with one O(1)Li3Co2 trigonal bipyramid. In the sixth O site, O(6) is bonded in a see-saw-like geometry to one Li(1), one Li(4), one Co(1), and one Co(4) atom. In the seventh O site, O(7) is bonded in a see-saw-like geometry to one Li(2), one Li(4), one Co(2), and one Co(5) atom. In the eighth O site, O(8) is bonded to one Li(2), one Li(3), one Li(6), one Co(2), and one Co(3) atom to form distorted OLi3Co2 square pyramids that share  a cornercorner with one O(10)Li2Co2 tetrahedra,  a cornercorner with one O(3)Li2Co2 tetrahedra,  an edgeedge with one O(9)Li3Co2 square pyramid,  an edgeedge with one O(3)Li2Co2 tetrahedra, and  an edgeedge with one O(5)Li3Co2 trigonal bipyramid. In the ninth O site, O(9) is bonded to one Li(1), one Li(3), one Li(5), one Co(1), and one Co(3) atom to form distorted OLi3Co2 square pyramids that share  a cornercorner with one O(10)Li2Co2 tetrahedra, corners with two equivalent O(3)Li2Co2 tetrahedra,  a cornercorner with one O(1)Li3Co2 trigonal bipyramid,  an edgeedge with one O(8)Li3Co2 square pyramid, and  an edgeedge with one O(1)Li3Co2 trigonal bipyramid. In the tenth O site, O(10) is bonded to one Li(5), one Li(6), one Co(4), and one Co(5) atom to form a mixture of corner and edge-sharing OLi2Co2 tetrahedra.