Li4Co7(OF7)2 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(2), one F(8), and one F(9) atom to form LiOF3 tetrahedra that share  a cornercorner with one Co(4)F6 octahedra,  a cornercorner with one Co(7)F6 octahedra, corners with two equivalent Co(2)O2F4 octahedra, corners with two equivalent Co(6)O2F4 octahedra, corners with two equivalent Co(3)OF5 octahedra, and corners with three equivalent Co(5)OF5 octahedra. The corner-sharing octahedral tilt angles range from 50-61°. In the second Li site, Li(2) is bonded to one F(1), one F(13), one F(3), and one F(6) atom to form LiF4 tetrahedra that share  a cornercorner with one Co(4)F6 octahedra,  a cornercorner with one Co(7)F6 octahedra, corners with two equivalent Co(2)O2F4 octahedra, corners with two equivalent Co(6)O2F4 octahedra, corners with two equivalent Co(3)OF5 octahedra, and corners with three equivalent Co(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. In the third Li site, Li(3) is bonded to one O(2), one F(10), one F(14), and one F(7) atom to form LiOF3 tetrahedra that share  a cornercorner with one Co(2)O2F4 octahedra,  a cornercorner with one Co(6)O2F4 octahedra,  a cornercorner with one Co(3)OF5 octahedra, corners with two equivalent Co(4)F6 octahedra, corners with two equivalent Co(7)F6 octahedra, and corners with three equivalent Co(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 53-59°. In the fourth Li site, Li(4) is bonded to one F(11), one F(12), one F(4), and one F(5) atom to form LiF4 tetrahedra that share  a cornercorner with one Co(2)O2F4 octahedra,  a cornercorner with one Co(6)O2F4 octahedra,  a cornercorner with one Co(3)OF5 octahedra, corners with two equivalent Co(4)F6 octahedra, corners with two equivalent Co(7)F6 octahedra, and corners with three equivalent Co(5)OF5 octahedra. The corner-sharing octahedral tilt angles range from 54-63°. There are seven inequivalent Co sites. In the first Co site, Co(1) is bonded to one F(1), one F(10), one F(14), one F(3), one F(6), and one F(7) atom to form CoF6 octahedra that share corners with three equivalent Li(2)F4 tetrahedra, corners with three equivalent Li(3)OF3 tetrahedra,  an edgeedge with one Co(4)F6 octahedra,  an edgeedge with one Co(7)F6 octahedra,  an edgeedge with one Co(2)O2F4 octahedra,  an edgeedge with one Co(6)O2F4 octahedra, and  an edgeedge with one Co(3)OF5 octahedra. In the second Co site, Co(2) is bonded to one O(1), one O(2), one F(1), one F(11), one F(3), and one F(9) atom to form CoO2F4 octahedra that share  a cornercorner with one Li(4)F4 tetrahedra,  a cornercorner with one Li(3)OF3 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra, corners with two equivalent Li(1)OF3 tetrahedra,  an edgeedge with one Co(1)F6 octahedra,  an edgeedge with one Co(5)OF5 octahedra, edges with two equivalent Co(6)O2F4 octahedra, and edges with two equivalent Co(3)OF5 octahedra. In the third Co site, Co(3) is bonded to one O(2), one F(1), one F(11), one F(6), one F(8), and one F(9) atom to form CoOF5 octahedra that share  a cornercorner with one Li(4)F4 tetrahedra,  a cornercorner with one Li(3)OF3 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra, corners with two equivalent Li(1)OF3 tetrahedra,  an edgeedge with one Co(1)F6 octahedra,  an edgeedge with one Co(5)OF5 octahedra, edges with two equivalent Co(2)O2F4 octahedra, and edges with two equivalent Co(6)O2F4 octahedra. In the fourth Co site, Co(4) is bonded to one F(13), one F(14), one F(2), one F(4), one F(5), and one F(7) atom to form CoF6 octahedra that share  a cornercorner with one Li(2)F4 tetrahedra,  a cornercorner with one Li(1)OF3 tetrahedra, corners with two equivalent Li(4)F4 tetrahedra, corners with two equivalent Li(3)OF3 tetrahedra,  an edgeedge with one Co(1)F6 octahedra,  an edgeedge with one Co(5)OF5 octahedra, and edges with two equivalent Co(7)F6 octahedra. In the fifth Co site, Co(5) is bonded to one O(1), one F(12), one F(4), one F(5), one F(8), and one F(9) atom to form CoOF5 octahedra that share corners with three equivalent Li(4)F4 tetrahedra, corners with three equivalent Li(1)OF3 tetrahedra,  an edgeedge with one Co(4)F6 octahedra,  an edgeedge with one Co(7)F6 octahedra,  an edgeedge with one Co(2)O2F4 octahedra,  an edgeedge with one Co(6)O2F4 octahedra, and  an edgeedge with one Co(3)OF5 octahedra. In the sixth Co site, Co(6) is bonded to one O(1), one O(2), one F(11), one F(3), one F(6), and one F(8) atom to form CoO2F4 octahedra that share  a cornercorner with one Li(4)F4 tetrahedra,  a cornercorner with one Li(3)OF3 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra, corners with two equivalent Li(1)OF3 tetrahedra,  an edgeedge with one Co(1)F6 octahedra,  an edgeedge with one Co(5)OF5 octahedra, edges with two equivalent Co(2)O2F4 octahedra, and edges with two equivalent Co(3)OF5 octahedra. In the seventh Co site, Co(7) is bonded to one F(10), one F(12), one F(13), one F(14), one F(2), and one F(4) atom to form CoF6 octahedra that share  a cornercorner with one Li(2)F4 tetrahedra,  a cornercorner with one Li(1)OF3 tetrahedra, corners with two equivalent Li(4)F4 tetrahedra, corners with two equivalent Li(3)OF3 tetrahedra,  an edgeedge with one Co(1)F6 octahedra,  an edgeedge with one Co(5)OF5 octahedra, and edges with two equivalent Co(4)F6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(2), one Co(5), and one Co(6) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(3), one Co(2), one Co(3), and one Co(6) atom. There are fourteen inequivalent F sites. In the first F site, F(1) is bonded to one Li(2), one Co(1), one Co(2), and one Co(3) atom to form a mixture of distorted edge and corner-sharing FLiCo3 trigonal pyramids. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(1), one Co(4), and one Co(7) atom. In the third F site, F(3) is bonded to one Li(2), one Co(1), one Co(2), and one Co(6) atom to form a mixture of distorted edge and corner-sharing FLiCo3 trigonal pyramids. In the fourth F site, F(4) is bonded in a rectangular see-saw-like geometry to one Li(4), one Co(4), one Co(5), and one Co(7) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(4), one Co(4), and one Co(5) atom. In the sixth F site, F(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Co(1), one Co(3), and one Co(6) atom. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Li(3), one Co(1), and one Co(4) atom. In the eighth F site, F(8) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(3), one Co(5), and one Co(6) atom. In the ninth F site, F(9) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(2), one Co(3), and one Co(5) atom. In the tenth F site, F(10) is bonded in a trigonal planar geometry to one Li(3), one Co(1), and one Co(7) atom. In the eleventh F site, F(11) is bonded to one Li(4), one Co(2), one Co(3), and one Co(6) atom to form distorted edge-sharing FLiCo3 tetrahedra. In the twelfth F site, F(12) is bonded in a trigonal planar geometry to one Li(4), one Co(5), and one Co(7) atom. In the thirteenth F site, F(13) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(4), and one Co(7) atom. In the fourteenth F site, F(14) is bonded in a rectangular see-saw-like geometry to one Li(3), one Co(1), one Co(4), and one Co(7) atom.
Li4Co7(OF7)2 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(2), one F(8), and one F(9) atom to form LiOF3 tetrahedra that share  a cornercorner with one Co(4)F6 octahedra,  a cornercorner with one Co(7)F6 octahedra, corners with two equivalent Co(2)O2F4 octahedra, corners with two equivalent Co(6)O2F4 octahedra, corners with two equivalent Co(3)OF5 octahedra, and corners with three equivalent Co(5)OF5 octahedra. The corner-sharing octahedral tilt angles range from 50-61°. The Li(1)-O(1) bond length is 1.94 Å. The Li(1)-F(2) bond length is 1.95 Å. The Li(1)-F(8) bond length is 2.00 Å. The Li(1)-F(9) bond length is 1.95 Å. In the second Li site, Li(2) is bonded to one F(1), one F(13), one F(3), and one F(6) atom to form LiF4 tetrahedra that share  a cornercorner with one Co(4)F6 octahedra,  a cornercorner with one Co(7)F6 octahedra, corners with two equivalent Co(2)O2F4 octahedra, corners with two equivalent Co(6)O2F4 octahedra, corners with two equivalent Co(3)OF5 octahedra, and corners with three equivalent Co(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. The Li(2)-F(1) bond length is 1.98 Å. The Li(2)-F(13) bond length is 1.92 Å. The Li(2)-F(3) bond length is 2.02 Å. The Li(2)-F(6) bond length is 1.99 Å. In the third Li site, Li(3) is bonded to one O(2), one F(10), one F(14), and one F(7) atom to form LiOF3 tetrahedra that share  a cornercorner with one Co(2)O2F4 octahedra,  a cornercorner with one Co(6)O2F4 octahedra,  a cornercorner with one Co(3)OF5 octahedra, corners with two equivalent Co(4)F6 octahedra, corners with two equivalent Co(7)F6 octahedra, and corners with three equivalent Co(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 53-59°. The Li(3)-O(2) bond length is 1.95 Å. The Li(3)-F(10) bond length is 1.97 Å. The Li(3)-F(14) bond length is 2.03 Å. The Li(3)-F(7) bond length is 1.97 Å. In the fourth Li site, Li(4) is bonded to one F(11), one F(12), one F(4), and one F(5) atom to form LiF4 tetrahedra that share  a cornercorner with one Co(2)O2F4 octahedra,  a cornercorner with one Co(6)O2F4 octahedra,  a cornercorner with one Co(3)OF5 octahedra, corners with two equivalent Co(4)F6 octahedra, corners with two equivalent Co(7)F6 octahedra, and corners with three equivalent Co(5)OF5 octahedra. The corner-sharing octahedral tilt angles range from 54-63°. The Li(4)-F(11) bond length is 2.07 Å. The Li(4)-F(12) bond length is 1.95 Å. The Li(4)-F(4) bond length is 2.00 Å. The Li(4)-F(5) bond length is 1.94 Å. There are seven inequivalent Co sites. In the first Co site, Co(1) is bonded to one F(1), one F(10), one F(14), one F(3), one F(6), and one F(7) atom to form CoF6 octahedra that share corners with three equivalent Li(2)F4 tetrahedra, corners with three equivalent Li(3)OF3 tetrahedra,  an edgeedge with one Co(4)F6 octahedra,  an edgeedge with one Co(7)F6 octahedra,  an edgeedge with one Co(2)O2F4 octahedra,  an edgeedge with one Co(6)O2F4 octahedra, and  an edgeedge with one Co(3)OF5 octahedra. The Co(1)-F(1) bond length is 2.08 Å. The Co(1)-F(10) bond length is 2.00 Å. The Co(1)-F(14) bond length is 2.14 Å. The Co(1)-F(3) bond length is 2.14 Å. The Co(1)-F(6) bond length is 2.11 Å. The Co(1)-F(7) bond length is 1.99 Å. In the second Co site, Co(2) is bonded to one O(1), one O(2), one F(1), one F(11), one F(3), and one F(9) atom to form CoO2F4 octahedra that share  a cornercorner with one Li(4)F4 tetrahedra,  a cornercorner with one Li(3)OF3 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra, corners with two equivalent Li(1)OF3 tetrahedra,  an edgeedge with one Co(1)F6 octahedra,  an edgeedge with one Co(5)OF5 octahedra, edges with two equivalent Co(6)O2F4 octahedra, and edges with two equivalent Co(3)OF5 octahedra. The Co(2)-O(1) bond length is 1.98 Å. The Co(2)-O(2) bond length is 1.99 Å. The Co(2)-F(1) bond length is 2.20 Å. The Co(2)-F(11) bond length is 2.15 Å. The Co(2)-F(3) bond length is 2.17 Å. The Co(2)-F(9) bond length is 2.24 Å. In the third Co site, Co(3) is bonded to one O(2), one F(1), one F(11), one F(6), one F(8), and one F(9) atom to form CoOF5 octahedra that share  a cornercorner with one Li(4)F4 tetrahedra,  a cornercorner with one Li(3)OF3 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra, corners with two equivalent Li(1)OF3 tetrahedra,  an edgeedge with one Co(1)F6 octahedra,  an edgeedge with one Co(5)OF5 octahedra, edges with two equivalent Co(2)O2F4 octahedra, and edges with two equivalent Co(6)O2F4 octahedra. The Co(3)-O(2) bond length is 1.93 Å. The Co(3)-F(1) bond length is 2.16 Å. The Co(3)-F(11) bond length is 2.12 Å. The Co(3)-F(6) bond length is 2.13 Å. The Co(3)-F(8) bond length is 2.09 Å. The Co(3)-F(9) bond length is 2.12 Å. In the fourth Co site, Co(4) is bonded to one F(13), one F(14), one F(2), one F(4), one F(5), and one F(7) atom to form CoF6 octahedra that share  a cornercorner with one Li(2)F4 tetrahedra,  a cornercorner with one Li(1)OF3 tetrahedra, corners with two equivalent Li(4)F4 tetrahedra, corners with two equivalent Li(3)OF3 tetrahedra,  an edgeedge with one Co(1)F6 octahedra,  an edgeedge with one Co(5)OF5 octahedra, and edges with two equivalent Co(7)F6 octahedra. The Co(4)-F(13) bond length is 2.05 Å. The Co(4)-F(14) bond length is 2.13 Å. The Co(4)-F(2) bond length is 2.03 Å. The Co(4)-F(4) bond length is 2.11 Å. The Co(4)-F(5) bond length is 2.03 Å. The Co(4)-F(7) bond length is 2.06 Å. In the fifth Co site, Co(5) is bonded to one O(1), one F(12), one F(4), one F(5), one F(8), and one F(9) atom to form CoOF5 octahedra that share corners with three equivalent Li(4)F4 tetrahedra, corners with three equivalent Li(1)OF3 tetrahedra,  an edgeedge with one Co(4)F6 octahedra,  an edgeedge with one Co(7)F6 octahedra,  an edgeedge with one Co(2)O2F4 octahedra,  an edgeedge with one Co(6)O2F4 octahedra, and  an edgeedge with one Co(3)OF5 octahedra. The Co(5)-O(1) bond length is 1.96 Å. The Co(5)-F(12) bond length is 2.05 Å. The Co(5)-F(4) bond length is 2.21 Å. The Co(5)-F(5) bond length is 2.05 Å. The Co(5)-F(8) bond length is 2.22 Å. The Co(5)-F(9) bond length is 2.13 Å. In the sixth Co site, Co(6) is bonded to one O(1), one O(2), one F(11), one F(3), one F(6), and one F(8) atom to form CoO2F4 octahedra that share  a cornercorner with one Li(4)F4 tetrahedra,  a cornercorner with one Li(3)OF3 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra, corners with two equivalent Li(1)OF3 tetrahedra,  an edgeedge with one Co(1)F6 octahedra,  an edgeedge with one Co(5)OF5 octahedra, edges with two equivalent Co(2)O2F4 octahedra, and edges with two equivalent Co(3)OF5 octahedra. The Co(6)-O(1) bond length is 1.99 Å. The Co(6)-O(2) bond length is 1.99 Å. The Co(6)-F(11) bond length is 2.15 Å. The Co(6)-F(3) bond length is 2.16 Å. The Co(6)-F(6) bond length is 2.19 Å. The Co(6)-F(8) bond length is 2.20 Å. In the seventh Co site, Co(7) is bonded to one F(10), one F(12), one F(13), one F(14), one F(2), and one F(4) atom to form CoF6 octahedra that share  a cornercorner with one Li(2)F4 tetrahedra,  a cornercorner with one Li(1)OF3 tetrahedra, corners with two equivalent Li(4)F4 tetrahedra, corners with two equivalent Li(3)OF3 tetrahedra,  an edgeedge with one Co(1)F6 octahedra,  an edgeedge with one Co(5)OF5 octahedra, and edges with two equivalent Co(4)F6 octahedra. The Co(7)-F(10) bond length is 2.05 Å. The Co(7)-F(12) bond length is 2.04 Å. The Co(7)-F(13) bond length is 2.05 Å. The Co(7)-F(14) bond length is 2.15 Å. The Co(7)-F(2) bond length is 2.03 Å. The Co(7)-F(4) bond length is 2.12 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(2), one Co(5), and one Co(6) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(3), one Co(2), one Co(3), and one Co(6) atom. There are fourteen inequivalent F sites. In the first F site, F(1) is bonded to one Li(2), one Co(1), one Co(2), and one Co(3) atom to form a mixture of distorted edge and corner-sharing FLiCo3 trigonal pyramids. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(1), one Co(4), and one Co(7) atom. In the third F site, F(3) is bonded to one Li(2), one Co(1), one Co(2), and one Co(6) atom to form a mixture of distorted edge and corner-sharing FLiCo3 trigonal pyramids. In the fourth F site, F(4) is bonded in a rectangular see-saw-like geometry to one Li(4), one Co(4), one Co(5), and one Co(7) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(4), one Co(4), and one Co(5) atom. In the sixth F site, F(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Co(1), one Co(3), and one Co(6) atom. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Li(3), one Co(1), and one Co(4) atom. In the eighth F site, F(8) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(3), one Co(5), and one Co(6) atom. In the ninth F site, F(9) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(2), one Co(3), and one Co(5) atom. In the tenth F site, F(10) is bonded in a trigonal planar geometry to one Li(3), one Co(1), and one Co(7) atom. In the eleventh F site, F(11) is bonded to one Li(4), one Co(2), one Co(3), and one Co(6) atom to form distorted edge-sharing FLiCo3 tetrahedra. In the twelfth F site, F(12) is bonded in a trigonal planar geometry to one Li(4), one Co(5), and one Co(7) atom. In the thirteenth F site, F(13) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(4), and one Co(7) atom. In the fourteenth F site, F(14) is bonded in a rectangular see-saw-like geometry to one Li(3), one Co(1), one Co(4), and one Co(7) atom.