Li4(CoO2)7 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(14), one O(2), one O(3), one O(4), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(7)O6 octahedra, corners with two equivalent Co(4)O6 octahedra, corners with two equivalent Co(5)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra,  an edgeedge with one Co(7)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-17°. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(13), one O(4), and one O(6) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(10), one O(3), one O(5), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a distorted rectangular see-saw-like geometry to one O(11), one O(12), one O(5), and one O(7) atom. There are seven inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(11), one O(14), one O(3), one O(6), and one O(8) atom to form CoO6 octahedra that share  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra,  an edgeedge with one Co(7)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. In the second Co site, Co(2) is bonded to one O(1), one O(10), one O(2), one O(4), one O(5), and one O(8) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, and  an edgeedge with one Co(7)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. In the third Co site, Co(3) is bonded to one O(10), one O(12), one O(2), one O(3), one O(6), and one O(7) atom to form CoO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, and  an edgeedge with one Co(7)O6 octahedra. In the fourth Co site, Co(4) is bonded to one O(12), one O(13), one O(3), one O(5), one O(8), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, and  an edgeedge with one Co(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-17°. In the fifth Co site, Co(5) is bonded to one O(10), one O(11), one O(13), one O(14), one O(5), and one O(7) atom to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, and  an edgeedge with one Co(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-17°. In the sixth Co site, Co(6) is bonded to one O(1), one O(12), one O(14), one O(4), one O(7), and one O(9) atom to form CoO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, and  an edgeedge with one Co(7)O6 octahedra. In the seventh Co site, Co(7) is bonded to one O(11), one O(13), one O(2), one O(4), one O(6), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, and  an edgeedge with one Co(6)O6 octahedra. The corner-sharing octahedral tilt angles are 9°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Co(1), one Co(2), and one Co(6) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(2), one Co(3), and one Co(7) atom. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Co(1), one Co(3), and one Co(4) atom to form OLi2Co3 trigonal bipyramids that share  a cornercorner with one O(4)Li2Co3 trigonal bipyramid,  a cornercorner with one O(7)LiCo3 trigonal pyramid,  an edgeedge with one O(11)Li2Co3 trigonal bipyramid,  an edgeedge with one O(5)Li2Co3 trigonal bipyramid,  an edgeedge with one O(6)LiCo3 trigonal pyramid, and  an edgeedge with one O(9)LiCo3 trigonal pyramid. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Co(2), one Co(6), and one Co(7) atom to form OLi2Co3 trigonal bipyramids that share  a cornercorner with one O(3)Li2Co3 trigonal bipyramid,  a cornercorner with one O(5)Li2Co3 trigonal bipyramid, corners with two equivalent O(11)Li2Co3 trigonal bipyramids,  a cornercorner with one O(7)LiCo3 trigonal pyramid,  an edgeedge with one O(6)LiCo3 trigonal pyramid, and  an edgeedge with one O(9)LiCo3 trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(3), one Li(4), one Co(2), one Co(4), and one Co(5) atom to form distorted OLi2Co3 trigonal bipyramids that share  a cornercorner with one O(4)Li2Co3 trigonal bipyramid,  an edgeedge with one O(11)Li2Co3 trigonal bipyramid,  an edgeedge with one O(3)Li2Co3 trigonal bipyramid,  an edgeedge with one O(7)LiCo3 trigonal pyramid, and  an edgeedge with one O(9)LiCo3 trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(2), one Co(1), one Co(3), and one Co(7) atom to form OLiCo3 trigonal pyramids that share  a cornercorner with one O(7)LiCo3 trigonal pyramid,  a cornercorner with one O(9)LiCo3 trigonal pyramid,  an edgeedge with one O(11)Li2Co3 trigonal bipyramid,  an edgeedge with one O(3)Li2Co3 trigonal bipyramid, and  an edgeedge with one O(4)Li2Co3 trigonal bipyramid. In the seventh O site, O(7) is bonded to one Li(4), one Co(3), one Co(5), and one Co(6) atom to form OLiCo3 trigonal pyramids that share  a cornercorner with one O(3)Li2Co3 trigonal bipyramid,  a cornercorner with one O(4)Li2Co3 trigonal bipyramid,  a cornercorner with one O(6)LiCo3 trigonal pyramid,  a cornercorner with one O(9)LiCo3 trigonal pyramid,  an edgeedge with one O(11)Li2Co3 trigonal bipyramid, and  an edgeedge with one O(5)Li2Co3 trigonal bipyramid. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(2), and one Co(4) atom. In the ninth O site, O(9) is bonded to one Li(3), one Co(4), one Co(6), and one Co(7) atom to form OLiCo3 trigonal pyramids that share  a cornercorner with one O(11)Li2Co3 trigonal bipyramid,  a cornercorner with one O(6)LiCo3 trigonal pyramid,  a cornercorner with one O(7)LiCo3 trigonal pyramid,  an edgeedge with one O(3)Li2Co3 trigonal bipyramid,  an edgeedge with one O(4)Li2Co3 trigonal bipyramid, and  an edgeedge with one O(5)Li2Co3 trigonal bipyramid. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(3), one Co(2), one Co(3), and one Co(5) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Li(4), one Co(1), one Co(5), and one Co(7) atom to form OLi2Co3 trigonal bipyramids that share corners with two equivalent O(4)Li2Co3 trigonal bipyramids,  a cornercorner with one O(9)LiCo3 trigonal pyramid,  an edgeedge with one O(3)Li2Co3 trigonal bipyramid,  an edgeedge with one O(5)Li2Co3 trigonal bipyramid,  an edgeedge with one O(6)LiCo3 trigonal pyramid, and  an edgeedge with one O(7)LiCo3 trigonal pyramid. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Co(3), one Co(4), and one Co(6) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(4), one Co(5), and one Co(7) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(5), and one Co(6) atom.
Li4(CoO2)7 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(14), one O(2), one O(3), one O(4), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(7)O6 octahedra, corners with two equivalent Co(4)O6 octahedra, corners with two equivalent Co(5)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra,  an edgeedge with one Co(7)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-17°. The Li(1)-O(11) bond length is 2.30 Å. The Li(1)-O(14) bond length is 2.17 Å. The Li(1)-O(2) bond length is 2.16 Å. The Li(1)-O(3) bond length is 2.34 Å. The Li(1)-O(4) bond length is 2.37 Å. The Li(1)-O(8) bond length is 2.20 Å. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(13), one O(4), and one O(6) atom. The Li(2)-O(1) bond length is 1.89 Å. The Li(2)-O(13) bond length is 2.02 Å. The Li(2)-O(4) bond length is 2.19 Å. The Li(2)-O(6) bond length is 2.05 Å. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(10), one O(3), one O(5), and one O(9) atom. The Li(3)-O(10) bond length is 1.88 Å. The Li(3)-O(3) bond length is 2.04 Å. The Li(3)-O(5) bond length is 2.18 Å. The Li(3)-O(9) bond length is 2.02 Å. In the fourth Li site, Li(4) is bonded in a distorted rectangular see-saw-like geometry to one O(11), one O(12), one O(5), and one O(7) atom. The Li(4)-O(11) bond length is 2.12 Å. The Li(4)-O(12) bond length is 1.89 Å. The Li(4)-O(5) bond length is 2.11 Å. The Li(4)-O(7) bond length is 2.00 Å. There are seven inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(11), one O(14), one O(3), one O(6), and one O(8) atom to form CoO6 octahedra that share  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra,  an edgeedge with one Co(7)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The Co(1)-O(1) bond length is 1.91 Å. The Co(1)-O(11) bond length is 1.92 Å. The Co(1)-O(14) bond length is 1.90 Å. The Co(1)-O(3) bond length is 1.92 Å. The Co(1)-O(6) bond length is 1.92 Å. The Co(1)-O(8) bond length is 1.92 Å. In the second Co site, Co(2) is bonded to one O(1), one O(10), one O(2), one O(4), one O(5), and one O(8) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, and  an edgeedge with one Co(7)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. The Co(2)-O(1) bond length is 1.90 Å. The Co(2)-O(10) bond length is 1.90 Å. The Co(2)-O(2) bond length is 1.94 Å. The Co(2)-O(4) bond length is 1.92 Å. The Co(2)-O(5) bond length is 1.93 Å. The Co(2)-O(8) bond length is 1.91 Å. In the third Co site, Co(3) is bonded to one O(10), one O(12), one O(2), one O(3), one O(6), and one O(7) atom to form CoO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, and  an edgeedge with one Co(7)O6 octahedra. The Co(3)-O(10) bond length is 1.88 Å. The Co(3)-O(12) bond length is 1.91 Å. The Co(3)-O(2) bond length is 1.87 Å. The Co(3)-O(3) bond length is 1.92 Å. The Co(3)-O(6) bond length is 1.88 Å. The Co(3)-O(7) bond length is 1.89 Å. In the fourth Co site, Co(4) is bonded to one O(12), one O(13), one O(3), one O(5), one O(8), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, and  an edgeedge with one Co(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-17°. The Co(4)-O(12) bond length is 1.89 Å. The Co(4)-O(13) bond length is 1.87 Å. The Co(4)-O(3) bond length is 1.95 Å. The Co(4)-O(5) bond length is 1.90 Å. The Co(4)-O(8) bond length is 1.87 Å. The Co(4)-O(9) bond length is 1.90 Å. In the fifth Co site, Co(5) is bonded to one O(10), one O(11), one O(13), one O(14), one O(5), and one O(7) atom to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, and  an edgeedge with one Co(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-17°. The Co(5)-O(10) bond length is 1.90 Å. The Co(5)-O(11) bond length is 1.94 Å. The Co(5)-O(13) bond length is 1.90 Å. The Co(5)-O(14) bond length is 1.92 Å. The Co(5)-O(5) bond length is 1.93 Å. The Co(5)-O(7) bond length is 1.91 Å. In the sixth Co site, Co(6) is bonded to one O(1), one O(12), one O(14), one O(4), one O(7), and one O(9) atom to form CoO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, and  an edgeedge with one Co(7)O6 octahedra. The Co(6)-O(1) bond length is 1.88 Å. The Co(6)-O(12) bond length is 1.91 Å. The Co(6)-O(14) bond length is 1.88 Å. The Co(6)-O(4) bond length is 1.90 Å. The Co(6)-O(7) bond length is 1.89 Å. The Co(6)-O(9) bond length is 1.90 Å. In the seventh Co site, Co(7) is bonded to one O(11), one O(13), one O(2), one O(4), one O(6), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, and  an edgeedge with one Co(6)O6 octahedra. The corner-sharing octahedral tilt angles are 9°. The Co(7)-O(11) bond length is 1.91 Å. The Co(7)-O(13) bond length is 1.92 Å. The Co(7)-O(2) bond length is 1.91 Å. The Co(7)-O(4) bond length is 1.94 Å. The Co(7)-O(6) bond length is 1.91 Å. The Co(7)-O(9) bond length is 1.91 Å. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Co(1), one Co(2), and one Co(6) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(2), one Co(3), and one Co(7) atom. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Co(1), one Co(3), and one Co(4) atom to form OLi2Co3 trigonal bipyramids that share  a cornercorner with one O(4)Li2Co3 trigonal bipyramid,  a cornercorner with one O(7)LiCo3 trigonal pyramid,  an edgeedge with one O(11)Li2Co3 trigonal bipyramid,  an edgeedge with one O(5)Li2Co3 trigonal bipyramid,  an edgeedge with one O(6)LiCo3 trigonal pyramid, and  an edgeedge with one O(9)LiCo3 trigonal pyramid. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Co(2), one Co(6), and one Co(7) atom to form OLi2Co3 trigonal bipyramids that share  a cornercorner with one O(3)Li2Co3 trigonal bipyramid,  a cornercorner with one O(5)Li2Co3 trigonal bipyramid, corners with two equivalent O(11)Li2Co3 trigonal bipyramids,  a cornercorner with one O(7)LiCo3 trigonal pyramid,  an edgeedge with one O(6)LiCo3 trigonal pyramid, and  an edgeedge with one O(9)LiCo3 trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(3), one Li(4), one Co(2), one Co(4), and one Co(5) atom to form distorted OLi2Co3 trigonal bipyramids that share  a cornercorner with one O(4)Li2Co3 trigonal bipyramid,  an edgeedge with one O(11)Li2Co3 trigonal bipyramid,  an edgeedge with one O(3)Li2Co3 trigonal bipyramid,  an edgeedge with one O(7)LiCo3 trigonal pyramid, and  an edgeedge with one O(9)LiCo3 trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(2), one Co(1), one Co(3), and one Co(7) atom to form OLiCo3 trigonal pyramids that share  a cornercorner with one O(7)LiCo3 trigonal pyramid,  a cornercorner with one O(9)LiCo3 trigonal pyramid,  an edgeedge with one O(11)Li2Co3 trigonal bipyramid,  an edgeedge with one O(3)Li2Co3 trigonal bipyramid, and  an edgeedge with one O(4)Li2Co3 trigonal bipyramid. In the seventh O site, O(7) is bonded to one Li(4), one Co(3), one Co(5), and one Co(6) atom to form OLiCo3 trigonal pyramids that share  a cornercorner with one O(3)Li2Co3 trigonal bipyramid,  a cornercorner with one O(4)Li2Co3 trigonal bipyramid,  a cornercorner with one O(6)LiCo3 trigonal pyramid,  a cornercorner with one O(9)LiCo3 trigonal pyramid,  an edgeedge with one O(11)Li2Co3 trigonal bipyramid, and  an edgeedge with one O(5)Li2Co3 trigonal bipyramid. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(2), and one Co(4) atom. In the ninth O site, O(9) is bonded to one Li(3), one Co(4), one Co(6), and one Co(7) atom to form OLiCo3 trigonal pyramids that share  a cornercorner with one O(11)Li2Co3 trigonal bipyramid,  a cornercorner with one O(6)LiCo3 trigonal pyramid,  a cornercorner with one O(7)LiCo3 trigonal pyramid,  an edgeedge with one O(3)Li2Co3 trigonal bipyramid,  an edgeedge with one O(4)Li2Co3 trigonal bipyramid, and  an edgeedge with one O(5)Li2Co3 trigonal bipyramid. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(3), one Co(2), one Co(3), and one Co(5) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Li(4), one Co(1), one Co(5), and one Co(7) atom to form OLi2Co3 trigonal bipyramids that share corners with two equivalent O(4)Li2Co3 trigonal bipyramids,  a cornercorner with one O(9)LiCo3 trigonal pyramid,  an edgeedge with one O(3)Li2Co3 trigonal bipyramid,  an edgeedge with one O(5)Li2Co3 trigonal bipyramid,  an edgeedge with one O(6)LiCo3 trigonal pyramid, and  an edgeedge with one O(7)LiCo3 trigonal pyramid. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Co(3), one Co(4), and one Co(6) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(4), one Co(5), and one Co(7) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(5), and one Co(6) atom.