Li4Co7O3F13 is beta indium sulfide-derived structured and 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(1), one F(1), one F(12), and one F(2) atom to form LiOF3 tetrahedra that share  a cornercorner with one Co(6)F6 octahedra,  a cornercorner with one Co(7)F6 octahedra, corners with two equivalent Co(2)O2F4 octahedra, corners with two equivalent Co(5)O2F4 octahedra, corners with two equivalent Co(1)O3F3 octahedra, and corners with three equivalent Co(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 54-66°. In the second Li site, Li(2) is bonded to one O(3), one F(4), one F(5), and one F(9) atom to form LiOF3 tetrahedra that share  a cornercorner with one Co(6)F6 octahedra,  a cornercorner with one Co(7)F6 octahedra, corners with two equivalent Co(2)O2F4 octahedra, corners with two equivalent Co(5)O2F4 octahedra, corners with two equivalent Co(1)O3F3 octahedra, and corners with three equivalent Co(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 52-61°. In the third Li site, Li(3) is bonded to one F(3), one F(6), one F(7), and one F(8) atom to form LiF4 tetrahedra that share  a cornercorner with one Co(2)O2F4 octahedra,  a cornercorner with one Co(5)O2F4 octahedra,  a cornercorner with one Co(1)O3F3 octahedra, corners with two equivalent Co(6)F6 octahedra, corners with two equivalent Co(7)F6 octahedra, and corners with three equivalent Co(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 54-60°. In the fourth Li site, Li(4) is bonded to one O(2), one F(10), one F(11), and one F(13) atom to form LiOF3 tetrahedra that share  a cornercorner with one Co(2)O2F4 octahedra,  a cornercorner with one Co(5)O2F4 octahedra,  a cornercorner with one Co(1)O3F3 octahedra, corners with two equivalent Co(6)F6 octahedra, corners with two equivalent Co(7)F6 octahedra, and corners with three equivalent Co(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 53-62°. There are seven inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(3), one F(1), one F(4), and one F(7) atom to form CoO3F3 octahedra that share  a cornercorner with one Li(3)F4 tetrahedra,  a cornercorner with one Li(4)OF3 tetrahedra, corners with two equivalent Li(1)OF3 tetrahedra, corners with two equivalent Li(2)OF3 tetrahedra,  an edgeedge with one Co(3)OF5 octahedra,  an edgeedge with one Co(4)OF5 octahedra, edges with two equivalent Co(2)O2F4 octahedra, and edges with two equivalent Co(5)O2F4 octahedra. In the second Co site, Co(2) is bonded to one O(1), one O(2), one F(2), one F(4), one F(7), and one F(9) atom to form distorted CoO2F4 octahedra that share  a cornercorner with one Li(3)F4 tetrahedra,  a cornercorner with one Li(4)OF3 tetrahedra, corners with two equivalent Li(1)OF3 tetrahedra, corners with two equivalent Li(2)OF3 tetrahedra,  an edgeedge with one Co(3)OF5 octahedra,  an edgeedge with one Co(4)OF5 octahedra, edges with two equivalent Co(5)O2F4 octahedra, and edges with two equivalent Co(1)O3F3 octahedra. In the third Co site, Co(3) is bonded to one O(3), one F(3), one F(4), one F(6), one F(8), and one F(9) atom to form CoOF5 octahedra that share corners with three equivalent Li(3)F4 tetrahedra, corners with three equivalent Li(2)OF3 tetrahedra,  an edgeedge with one Co(6)F6 octahedra,  an edgeedge with one Co(7)F6 octahedra,  an edgeedge with one Co(2)O2F4 octahedra,  an edgeedge with one Co(5)O2F4 octahedra, and  an edgeedge with one Co(1)O3F3 octahedra. In the fourth Co site, Co(4) is bonded to one O(1), one F(1), one F(10), one F(11), one F(13), and one F(2) atom to form CoOF5 octahedra that share corners with three equivalent Li(1)OF3 tetrahedra, corners with three equivalent Li(4)OF3 tetrahedra,  an edgeedge with one Co(6)F6 octahedra,  an edgeedge with one Co(7)F6 octahedra,  an edgeedge with one Co(2)O2F4 octahedra,  an edgeedge with one Co(5)O2F4 octahedra, and  an edgeedge with one Co(1)O3F3 octahedra. In the fifth Co site, Co(5) is bonded to one O(2), one O(3), one F(1), one F(2), one F(7), and one F(9) atom to form CoO2F4 octahedra that share  a cornercorner with one Li(3)F4 tetrahedra,  a cornercorner with one Li(4)OF3 tetrahedra, corners with two equivalent Li(1)OF3 tetrahedra, corners with two equivalent Li(2)OF3 tetrahedra,  an edgeedge with one Co(3)OF5 octahedra,  an edgeedge with one Co(4)OF5 octahedra, edges with two equivalent Co(2)O2F4 octahedra, and edges with two equivalent Co(1)O3F3 octahedra. In the sixth Co site, Co(6) is bonded to one F(10), one F(11), one F(12), one F(3), one F(5), and one F(6) atom to form CoF6 octahedra that share  a cornercorner with one Li(1)OF3 tetrahedra,  a cornercorner with one Li(2)OF3 tetrahedra, corners with two equivalent Li(3)F4 tetrahedra, corners with two equivalent Li(4)OF3 tetrahedra,  an edgeedge with one Co(3)OF5 octahedra,  an edgeedge with one Co(4)OF5 octahedra, and edges with two equivalent Co(7)F6 octahedra. In the seventh Co site, Co(7) is bonded to one F(10), one F(12), one F(13), one F(3), one F(5), and one F(8) atom to form CoF6 octahedra that share  a cornercorner with one Li(1)OF3 tetrahedra,  a cornercorner with one Li(2)OF3 tetrahedra, corners with two equivalent Li(3)F4 tetrahedra, corners with two equivalent Li(4)OF3 tetrahedra,  an edgeedge with one Co(3)OF5 octahedra,  an edgeedge with one Co(4)OF5 octahedra, and edges with two equivalent Co(6)F6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Co(1), one Co(2), and one Co(4) atom to form OLiCo3 tetrahedra that share  a cornercorner with one F(2)LiCo3 trigonal pyramid, corners with two equivalent O(2)LiCo3 trigonal pyramids,  an edgeedge with one F(2)LiCo3 trigonal pyramid, and  an edgeedge with one F(7)LiCo3 trigonal pyramid. In the second O site, O(2) is bonded to one Li(4), one Co(1), one Co(2), and one Co(5) atom to form distorted OLiCo3 trigonal pyramids that share corners with two equivalent O(1)LiCo3 tetrahedra, corners with two equivalent F(2)LiCo3 trigonal pyramids, and corners with three equivalent F(7)LiCo3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Co(1), one Co(3), and one Co(5) atom. There are thirteen inequivalent F sites. In the first F site, F(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(4), and one Co(5) atom. In the second F site, F(2) is bonded to one Li(1), one Co(2), one Co(4), and one Co(5) atom to form distorted FLiCo3 trigonal pyramids that share  a cornercorner with one O(1)LiCo3 tetrahedra, corners with two equivalent O(2)LiCo3 trigonal pyramids,  an edgeedge with one O(1)LiCo3 tetrahedra, and  an edgeedge with one F(7)LiCo3 trigonal pyramid. In the third F site, F(3) is bonded in a rectangular see-saw-like geometry to one Li(3), one Co(3), one Co(6), and one Co(7) atom. In the fourth F site, F(4) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(1), one Co(2), and one Co(3) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Li(2), one Co(6), and one Co(7) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Li(3), one Co(3), and one Co(6) atom. In the seventh F site, F(7) is bonded to one Li(3), one Co(1), one Co(2), and one Co(5) atom to form distorted FLiCo3 trigonal pyramids that share corners with three equivalent O(2)LiCo3 trigonal pyramids,  an edgeedge with one O(1)LiCo3 tetrahedra, and  an edgeedge with one F(2)LiCo3 trigonal pyramid. In the eighth F site, F(8) is bonded in a trigonal planar geometry to one Li(3), one Co(3), and one Co(7) atom. In the ninth F site, F(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Co(2), one Co(3), and one Co(5) atom. In the tenth F site, F(10) is bonded in a rectangular see-saw-like geometry to one Li(4), one Co(4), one Co(6), and one Co(7) atom. In the eleventh F site, F(11) is bonded in a trigonal planar geometry to one Li(4), one Co(4), and one Co(6) atom. In the twelfth F site, F(12) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(6), and one Co(7) atom. In the thirteenth F site, F(13) is bonded in a trigonal planar geometry to one Li(4), one Co(4), and one Co(7) atom.
Li4Co7O3F13 is beta indium sulfide-derived structured and 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(1), one F(1), one F(12), and one F(2) atom to form LiOF3 tetrahedra that share  a cornercorner with one Co(6)F6 octahedra,  a cornercorner with one Co(7)F6 octahedra, corners with two equivalent Co(2)O2F4 octahedra, corners with two equivalent Co(5)O2F4 octahedra, corners with two equivalent Co(1)O3F3 octahedra, and corners with three equivalent Co(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 54-66°. The Li(1)-O(1) bond length is 2.03 Å. The Li(1)-F(1) bond length is 2.04 Å. The Li(1)-F(12) bond length is 1.95 Å. The Li(1)-F(2) bond length is 2.01 Å. In the second Li site, Li(2) is bonded to one O(3), one F(4), one F(5), and one F(9) atom to form LiOF3 tetrahedra that share  a cornercorner with one Co(6)F6 octahedra,  a cornercorner with one Co(7)F6 octahedra, corners with two equivalent Co(2)O2F4 octahedra, corners with two equivalent Co(5)O2F4 octahedra, corners with two equivalent Co(1)O3F3 octahedra, and corners with three equivalent Co(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 52-61°. The Li(2)-O(3) bond length is 1.93 Å. The Li(2)-F(4) bond length is 2.03 Å. The Li(2)-F(5) bond length is 1.96 Å. The Li(2)-F(9) bond length is 2.00 Å. In the third Li site, Li(3) is bonded to one F(3), one F(6), one F(7), and one F(8) atom to form LiF4 tetrahedra that share  a cornercorner with one Co(2)O2F4 octahedra,  a cornercorner with one Co(5)O2F4 octahedra,  a cornercorner with one Co(1)O3F3 octahedra, corners with two equivalent Co(6)F6 octahedra, corners with two equivalent Co(7)F6 octahedra, and corners with three equivalent Co(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 54-60°. The Li(3)-F(3) bond length is 2.00 Å. The Li(3)-F(6) bond length is 1.95 Å. The Li(3)-F(7) bond length is 1.99 Å. The Li(3)-F(8) bond length is 1.94 Å. In the fourth Li site, Li(4) is bonded to one O(2), one F(10), one F(11), and one F(13) atom to form LiOF3 tetrahedra that share  a cornercorner with one Co(2)O2F4 octahedra,  a cornercorner with one Co(5)O2F4 octahedra,  a cornercorner with one Co(1)O3F3 octahedra, corners with two equivalent Co(6)F6 octahedra, corners with two equivalent Co(7)F6 octahedra, and corners with three equivalent Co(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 53-62°. The Li(4)-O(2) bond length is 2.00 Å. The Li(4)-F(10) bond length is 2.00 Å. The Li(4)-F(11) bond length is 1.95 Å. The Li(4)-F(13) bond length is 1.96 Å. There are seven inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(3), one F(1), one F(4), and one F(7) atom to form CoO3F3 octahedra that share  a cornercorner with one Li(3)F4 tetrahedra,  a cornercorner with one Li(4)OF3 tetrahedra, corners with two equivalent Li(1)OF3 tetrahedra, corners with two equivalent Li(2)OF3 tetrahedra,  an edgeedge with one Co(3)OF5 octahedra,  an edgeedge with one Co(4)OF5 octahedra, edges with two equivalent Co(2)O2F4 octahedra, and edges with two equivalent Co(5)O2F4 octahedra. The Co(1)-O(1) bond length is 2.01 Å. The Co(1)-O(2) bond length is 2.04 Å. The Co(1)-O(3) bond length is 1.98 Å. The Co(1)-F(1) bond length is 2.20 Å. The Co(1)-F(4) bond length is 2.21 Å. The Co(1)-F(7) bond length is 2.21 Å. In the second Co site, Co(2) is bonded to one O(1), one O(2), one F(2), one F(4), one F(7), and one F(9) atom to form distorted CoO2F4 octahedra that share  a cornercorner with one Li(3)F4 tetrahedra,  a cornercorner with one Li(4)OF3 tetrahedra, corners with two equivalent Li(1)OF3 tetrahedra, corners with two equivalent Li(2)OF3 tetrahedra,  an edgeedge with one Co(3)OF5 octahedra,  an edgeedge with one Co(4)OF5 octahedra, edges with two equivalent Co(5)O2F4 octahedra, and edges with two equivalent Co(1)O3F3 octahedra. The Co(2)-O(1) bond length is 1.87 Å. The Co(2)-O(2) bond length is 1.82 Å. The Co(2)-F(2) bond length is 2.13 Å. The Co(2)-F(4) bond length is 2.15 Å. The Co(2)-F(7) bond length is 2.23 Å. The Co(2)-F(9) bond length is 2.10 Å. In the third Co site, Co(3) is bonded to one O(3), one F(3), one F(4), one F(6), one F(8), and one F(9) atom to form CoOF5 octahedra that share corners with three equivalent Li(3)F4 tetrahedra, corners with three equivalent Li(2)OF3 tetrahedra,  an edgeedge with one Co(6)F6 octahedra,  an edgeedge with one Co(7)F6 octahedra,  an edgeedge with one Co(2)O2F4 octahedra,  an edgeedge with one Co(5)O2F4 octahedra, and  an edgeedge with one Co(1)O3F3 octahedra. The Co(3)-O(3) bond length is 1.95 Å. The Co(3)-F(3) bond length is 2.22 Å. The Co(3)-F(4) bond length is 2.22 Å. The Co(3)-F(6) bond length is 2.01 Å. The Co(3)-F(8) bond length is 2.04 Å. The Co(3)-F(9) bond length is 2.17 Å. In the fourth Co site, Co(4) is bonded to one O(1), one F(1), one F(10), one F(11), one F(13), and one F(2) atom to form CoOF5 octahedra that share corners with three equivalent Li(1)OF3 tetrahedra, corners with three equivalent Li(4)OF3 tetrahedra,  an edgeedge with one Co(6)F6 octahedra,  an edgeedge with one Co(7)F6 octahedra,  an edgeedge with one Co(2)O2F4 octahedra,  an edgeedge with one Co(5)O2F4 octahedra, and  an edgeedge with one Co(1)O3F3 octahedra. The Co(4)-O(1) bond length is 1.99 Å. The Co(4)-F(1) bond length is 2.18 Å. The Co(4)-F(10) bond length is 2.18 Å. The Co(4)-F(11) bond length is 2.02 Å. The Co(4)-F(13) bond length is 2.00 Å. The Co(4)-F(2) bond length is 2.15 Å. In the fifth Co site, Co(5) is bonded to one O(2), one O(3), one F(1), one F(2), one F(7), and one F(9) atom to form CoO2F4 octahedra that share  a cornercorner with one Li(3)F4 tetrahedra,  a cornercorner with one Li(4)OF3 tetrahedra, corners with two equivalent Li(1)OF3 tetrahedra, corners with two equivalent Li(2)OF3 tetrahedra,  an edgeedge with one Co(3)OF5 octahedra,  an edgeedge with one Co(4)OF5 octahedra, edges with two equivalent Co(2)O2F4 octahedra, and edges with two equivalent Co(1)O3F3 octahedra. The Co(5)-O(2) bond length is 2.05 Å. The Co(5)-O(3) bond length is 1.97 Å. The Co(5)-F(1) bond length is 2.12 Å. The Co(5)-F(2) bond length is 2.16 Å. The Co(5)-F(7) bond length is 2.13 Å. The Co(5)-F(9) bond length is 2.22 Å. In the sixth Co site, Co(6) is bonded to one F(10), one F(11), one F(12), one F(3), one F(5), and one F(6) atom to form CoF6 octahedra that share  a cornercorner with one Li(1)OF3 tetrahedra,  a cornercorner with one Li(2)OF3 tetrahedra, corners with two equivalent Li(3)F4 tetrahedra, corners with two equivalent Li(4)OF3 tetrahedra,  an edgeedge with one Co(3)OF5 octahedra,  an edgeedge with one Co(4)OF5 octahedra, and edges with two equivalent Co(7)F6 octahedra. The Co(6)-F(10) bond length is 2.12 Å. The Co(6)-F(11) bond length is 2.04 Å. The Co(6)-F(12) bond length is 2.05 Å. The Co(6)-F(3) bond length is 2.11 Å. The Co(6)-F(5) bond length is 2.04 Å. The Co(6)-F(6) bond length is 2.05 Å. In the seventh Co site, Co(7) is bonded to one F(10), one F(12), one F(13), one F(3), one F(5), and one F(8) atom to form CoF6 octahedra that share  a cornercorner with one Li(1)OF3 tetrahedra,  a cornercorner with one Li(2)OF3 tetrahedra, corners with two equivalent Li(3)F4 tetrahedra, corners with two equivalent Li(4)OF3 tetrahedra,  an edgeedge with one Co(3)OF5 octahedra,  an edgeedge with one Co(4)OF5 octahedra, and edges with two equivalent Co(6)F6 octahedra. The Co(7)-F(10) bond length is 2.13 Å. The Co(7)-F(12) bond length is 2.04 Å. The Co(7)-F(13) bond length is 2.07 Å. The Co(7)-F(3) bond length is 2.13 Å. The Co(7)-F(5) bond length is 2.03 Å. The Co(7)-F(8) bond length is 2.04 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Co(1), one Co(2), and one Co(4) atom to form OLiCo3 tetrahedra that share  a cornercorner with one F(2)LiCo3 trigonal pyramid, corners with two equivalent O(2)LiCo3 trigonal pyramids,  an edgeedge with one F(2)LiCo3 trigonal pyramid, and  an edgeedge with one F(7)LiCo3 trigonal pyramid. In the second O site, O(2) is bonded to one Li(4), one Co(1), one Co(2), and one Co(5) atom to form distorted OLiCo3 trigonal pyramids that share corners with two equivalent O(1)LiCo3 tetrahedra, corners with two equivalent F(2)LiCo3 trigonal pyramids, and corners with three equivalent F(7)LiCo3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Co(1), one Co(3), and one Co(5) atom. There are thirteen inequivalent F sites. In the first F site, F(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(4), and one Co(5) atom. In the second F site, F(2) is bonded to one Li(1), one Co(2), one Co(4), and one Co(5) atom to form distorted FLiCo3 trigonal pyramids that share  a cornercorner with one O(1)LiCo3 tetrahedra, corners with two equivalent O(2)LiCo3 trigonal pyramids,  an edgeedge with one O(1)LiCo3 tetrahedra, and  an edgeedge with one F(7)LiCo3 trigonal pyramid. In the third F site, F(3) is bonded in a rectangular see-saw-like geometry to one Li(3), one Co(3), one Co(6), and one Co(7) atom. In the fourth F site, F(4) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(1), one Co(2), and one Co(3) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Li(2), one Co(6), and one Co(7) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Li(3), one Co(3), and one Co(6) atom. In the seventh F site, F(7) is bonded to one Li(3), one Co(1), one Co(2), and one Co(5) atom to form distorted FLiCo3 trigonal pyramids that share corners with three equivalent O(2)LiCo3 trigonal pyramids,  an edgeedge with one O(1)LiCo3 tetrahedra, and  an edgeedge with one F(2)LiCo3 trigonal pyramid. In the eighth F site, F(8) is bonded in a trigonal planar geometry to one Li(3), one Co(3), and one Co(7) atom. In the ninth F site, F(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Co(2), one Co(3), and one Co(5) atom. In the tenth F site, F(10) is bonded in a rectangular see-saw-like geometry to one Li(4), one Co(4), one Co(6), and one Co(7) atom. In the eleventh F site, F(11) is bonded in a trigonal planar geometry to one Li(4), one Co(4), and one Co(6) atom. In the twelfth F site, F(12) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(6), and one Co(7) atom. In the thirteenth F site, F(13) is bonded in a trigonal planar geometry to one Li(4), one Co(4), and one Co(7) atom.