Li7(CoO3)2 crystallizes in the triclinic P1 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Co(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, corners with two equivalent Co(1)O4 trigonal pyramids,  an edgeedge with one Li(6)O4 tetrahedra,  an edgeedge with one Li(7)O4 tetrahedra,  an edgeedge with one Co(2)O4 tetrahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, corners with three equivalent Co(2)O4 tetrahedra, corners with two equivalent Co(1)O4 trigonal pyramids,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. In the third Li site, Li(3) is bonded in a distorted trigonal planar geometry to one O(1), one O(5), and one O(6) atom. In the fourth Li site, Li(4) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, corners with two equivalent Li(2)O4 trigonal pyramids, corners with three equivalent Co(1)O4 trigonal pyramids,  an edgeedge with one Li(6)O4 tetrahedra,  an edgeedge with one Li(7)O4 tetrahedra, and  an edgeedge with one Co(2)O4 tetrahedra. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(4), and one O(5) atom. In the sixth Li site, Li(6) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, corners with three equivalent Li(7)O4 tetrahedra,  a cornercorner with one Co(1)O4 trigonal pyramid,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra,  an edgeedge with one Li(2)O4 trigonal pyramid, and  an edgeedge with one Co(1)O4 trigonal pyramid. In the seventh Li site, Li(7) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, corners with three equivalent Li(6)O4 tetrahedra,  a cornercorner with one Co(1)O4 trigonal pyramid, corners with two equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Co(1)O4 trigonal pyramid. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form distorted CoO4 trigonal pyramids that share  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Li(6)O4 tetrahedra,  an edgeedge with one Li(7)O4 tetrahedra, and  an edgeedge with one Co(2)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted CoO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Co(1)O4 trigonal pyramid. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(3), one Li(5), one Li(6), and one Co(2) atom. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(4), one Li(7), and one Co(2) atom to form distorted OLi4Co square pyramids that share corners with three equivalent O(6)Li5Co octahedra,  a cornercorner with one O(5)Li6Co pentagonal bipyramid, and  an edgeedge with one O(5)Li6Co pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 39-59°. In the third O site, O(3) is bonded in a distorted pentagonal planar geometry to one Li(1), one Li(2), one Li(5), one Co(1), and one Co(2) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(4), one Li(5), one Li(6), one Li(7), one Co(1), and one Co(2) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Li(4), one Li(5), one Li(6), one Li(7), and one Co(1) atom to form distorted OLi6Co pentagonal bipyramids that share  a cornercorner with one O(6)Li5Co octahedra,  a cornercorner with one O(2)Li4Co square pyramid, edges with two equivalent O(6)Li5Co octahedra, and  an edgeedge with one O(2)Li4Co square pyramid. The corner-sharing octahedral tilt angles are 49°. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Li(4), one Li(6), one Li(7), and one Co(1) atom to form distorted OLi5Co octahedra that share  a cornercorner with one O(5)Li6Co pentagonal bipyramid, corners with three equivalent O(2)Li4Co square pyramids, and edges with two equivalent O(5)Li6Co pentagonal bipyramids.
Li7(CoO3)2 crystallizes in the triclinic P1 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Co(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, corners with two equivalent Co(1)O4 trigonal pyramids,  an edgeedge with one Li(6)O4 tetrahedra,  an edgeedge with one Li(7)O4 tetrahedra,  an edgeedge with one Co(2)O4 tetrahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The Li(1)-O(1) bond length is 2.07 Å. The Li(1)-O(2) bond length is 1.87 Å. The Li(1)-O(3) bond length is 1.91 Å. The Li(1)-O(5) bond length is 2.03 Å. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, corners with three equivalent Co(2)O4 tetrahedra, corners with two equivalent Co(1)O4 trigonal pyramids,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. The Li(2)-O(1) bond length is 2.03 Å. The Li(2)-O(2) bond length is 2.13 Å. The Li(2)-O(3) bond length is 1.91 Å. The Li(2)-O(6) bond length is 2.10 Å. In the third Li site, Li(3) is bonded in a distorted trigonal planar geometry to one O(1), one O(5), and one O(6) atom. The Li(3)-O(1) bond length is 1.97 Å. The Li(3)-O(5) bond length is 2.00 Å. The Li(3)-O(6) bond length is 2.07 Å. In the fourth Li site, Li(4) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, corners with two equivalent Li(2)O4 trigonal pyramids, corners with three equivalent Co(1)O4 trigonal pyramids,  an edgeedge with one Li(6)O4 tetrahedra,  an edgeedge with one Li(7)O4 tetrahedra, and  an edgeedge with one Co(2)O4 tetrahedra. The Li(4)-O(2) bond length is 1.97 Å. The Li(4)-O(4) bond length is 2.05 Å. The Li(4)-O(5) bond length is 2.12 Å. The Li(4)-O(6) bond length is 1.90 Å. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(4), and one O(5) atom. The Li(5)-O(1) bond length is 2.12 Å. The Li(5)-O(3) bond length is 2.14 Å. The Li(5)-O(4) bond length is 2.10 Å. The Li(5)-O(5) bond length is 2.11 Å. In the sixth Li site, Li(6) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, corners with three equivalent Li(7)O4 tetrahedra,  a cornercorner with one Co(1)O4 trigonal pyramid,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra,  an edgeedge with one Li(2)O4 trigonal pyramid, and  an edgeedge with one Co(1)O4 trigonal pyramid. The Li(6)-O(1) bond length is 2.00 Å. The Li(6)-O(4) bond length is 1.95 Å. The Li(6)-O(5) bond length is 2.03 Å. The Li(6)-O(6) bond length is 1.93 Å. In the seventh Li site, Li(7) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, corners with three equivalent Li(6)O4 tetrahedra,  a cornercorner with one Co(1)O4 trigonal pyramid, corners with two equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Co(1)O4 trigonal pyramid. The Li(7)-O(2) bond length is 1.95 Å. The Li(7)-O(4) bond length is 2.16 Å. The Li(7)-O(5) bond length is 2.02 Å. The Li(7)-O(6) bond length is 1.94 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form distorted CoO4 trigonal pyramids that share  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Li(6)O4 tetrahedra,  an edgeedge with one Li(7)O4 tetrahedra, and  an edgeedge with one Co(2)O4 tetrahedra. The Co(1)-O(3) bond length is 1.96 Å. The Co(1)-O(4) bond length is 2.17 Å. The Co(1)-O(5) bond length is 1.98 Å. The Co(1)-O(6) bond length is 1.95 Å. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted CoO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Co(1)O4 trigonal pyramid. The Co(2)-O(1) bond length is 1.84 Å. The Co(2)-O(2) bond length is 1.81 Å. The Co(2)-O(3) bond length is 1.97 Å. The Co(2)-O(4) bond length is 1.96 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(3), one Li(5), one Li(6), and one Co(2) atom. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(4), one Li(7), and one Co(2) atom to form distorted OLi4Co square pyramids that share corners with three equivalent O(6)Li5Co octahedra,  a cornercorner with one O(5)Li6Co pentagonal bipyramid, and  an edgeedge with one O(5)Li6Co pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 39-59°. In the third O site, O(3) is bonded in a distorted pentagonal planar geometry to one Li(1), one Li(2), one Li(5), one Co(1), and one Co(2) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(4), one Li(5), one Li(6), one Li(7), one Co(1), and one Co(2) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Li(4), one Li(5), one Li(6), one Li(7), and one Co(1) atom to form distorted OLi6Co pentagonal bipyramids that share  a cornercorner with one O(6)Li5Co octahedra,  a cornercorner with one O(2)Li4Co square pyramid, edges with two equivalent O(6)Li5Co octahedra, and  an edgeedge with one O(2)Li4Co square pyramid. The corner-sharing octahedral tilt angles are 49°. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Li(4), one Li(6), one Li(7), and one Co(1) atom to form distorted OLi5Co octahedra that share  a cornercorner with one O(5)Li6Co pentagonal bipyramid, corners with three equivalent O(2)Li4Co square pyramids, and edges with two equivalent O(5)Li6Co pentagonal bipyramids.