Li4Co7(OF7)2 is beta indium sulfide-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(4), one F(5), one F(6), and one F(7) atom to form LiF4 tetrahedra that share  a cornercorner with one Co(1)F6 octahedra,  a cornercorner with one Co(3)O2F4 octahedra,  a cornercorner with one Co(5)O2F4 octahedra, corners with two equivalent Co(4)F6 octahedra, corners with two equivalent Co(6)F6 octahedra, and corners with three equivalent Co(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 52-61°. In the second Li site, Li(2) is bonded to one O(1), one F(1), one F(2), and one F(3) atom to form LiOF3 tetrahedra that share  a cornercorner with one Co(4)F6 octahedra,  a cornercorner with one Co(6)F6 octahedra, corners with two equivalent Co(1)F6 octahedra, corners with two equivalent Co(3)O2F4 octahedra, corners with two equivalent Co(5)O2F4 octahedra, and corners with three equivalent Co(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 51-66°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(5) atoms to form CoF6 octahedra that share corners with two equivalent Li(1)F4 tetrahedra, corners with four equivalent Li(2)OF3 tetrahedra, edges with two equivalent Co(3)O2F4 octahedra, edges with two equivalent Co(5)O2F4 octahedra, and edges with two equivalent Co(2)OF5 octahedra. In the second Co site, Co(2) is bonded to one O(1), one F(1), one F(2), one F(4), one F(6), and one F(7) atom to form CoOF5 octahedra that share corners with three equivalent Li(1)F4 tetrahedra, corners with three equivalent Li(2)OF3 tetrahedra,  an edgeedge with one Co(1)F6 octahedra,  an edgeedge with one Co(4)F6 octahedra,  an edgeedge with one Co(6)F6 octahedra,  an edgeedge with one Co(3)O2F4 octahedra, and  an edgeedge with one Co(5)O2F4 octahedra. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(5) atoms to form CoO2F4 octahedra that share corners with two equivalent Li(1)F4 tetrahedra, corners with four equivalent Li(2)OF3 tetrahedra, edges with two equivalent Co(1)F6 octahedra, edges with two equivalent Co(5)O2F4 octahedra, and edges with two equivalent Co(2)OF5 octahedra. In the fourth Co site, Co(4) is bonded to two equivalent F(3), two equivalent F(4), and two equivalent F(7) atoms to form CoF6 octahedra that share corners with two equivalent Li(2)OF3 tetrahedra, corners with four equivalent Li(1)F4 tetrahedra, edges with two equivalent Co(6)F6 octahedra, and edges with two equivalent Co(2)OF5 octahedra. In the fifth Co site, Co(5) is bonded to two equivalent O(1), two equivalent F(2), and two equivalent F(5) atoms to form CoO2F4 octahedra that share corners with two equivalent Li(1)F4 tetrahedra, corners with four equivalent Li(2)OF3 tetrahedra, edges with two equivalent Co(1)F6 octahedra, edges with two equivalent Co(3)O2F4 octahedra, and edges with two equivalent Co(2)OF5 octahedra. In the sixth Co site, Co(6) is bonded to two equivalent F(3), two equivalent F(6), and two equivalent F(7) atoms to form CoF6 octahedra that share corners with two equivalent Li(2)OF3 tetrahedra, corners with four equivalent Li(1)F4 tetrahedra, edges with two equivalent Co(4)F6 octahedra, and edges with two equivalent Co(2)OF5 octahedra. O(1) is bonded to one Li(2), one Co(2), one Co(3), and one Co(5) atom to form corner-sharing OLiCo3 tetrahedra. There are seven inequivalent F sites. In the first F site, F(1) 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 second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(1), one Co(2), and one Co(5) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(4), and one Co(6) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(1), one Co(2), and one Co(4) atom. In the fifth F site, F(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(3), and one Co(5) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(2), and one Co(6) atom. In the seventh F site, F(7) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(2), one Co(4), and one Co(6) atom.
Li4Co7(OF7)2 is beta indium sulfide-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(4), one F(5), one F(6), and one F(7) atom to form LiF4 tetrahedra that share  a cornercorner with one Co(1)F6 octahedra,  a cornercorner with one Co(3)O2F4 octahedra,  a cornercorner with one Co(5)O2F4 octahedra, corners with two equivalent Co(4)F6 octahedra, corners with two equivalent Co(6)F6 octahedra, and corners with three equivalent Co(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 52-61°. The Li(1)-F(4) bond length is 1.95 Å. The Li(1)-F(5) bond length is 1.97 Å. The Li(1)-F(6) bond length is 1.92 Å. The Li(1)-F(7) bond length is 1.98 Å. In the second Li site, Li(2) is bonded to one O(1), one F(1), one F(2), and one F(3) atom to form LiOF3 tetrahedra that share  a cornercorner with one Co(4)F6 octahedra,  a cornercorner with one Co(6)F6 octahedra, corners with two equivalent Co(1)F6 octahedra, corners with two equivalent Co(3)O2F4 octahedra, corners with two equivalent Co(5)O2F4 octahedra, and corners with three equivalent Co(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 51-66°. The Li(2)-O(1) bond length is 2.01 Å. The Li(2)-F(1) bond length is 2.02 Å. The Li(2)-F(2) bond length is 2.02 Å. The Li(2)-F(3) bond length is 1.96 Å. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(5) atoms to form CoF6 octahedra that share corners with two equivalent Li(1)F4 tetrahedra, corners with four equivalent Li(2)OF3 tetrahedra, edges with two equivalent Co(3)O2F4 octahedra, edges with two equivalent Co(5)O2F4 octahedra, and edges with two equivalent Co(2)OF5 octahedra. Both Co(1)-F(1) bond lengths are 2.07 Å. Both Co(1)-F(2) bond lengths are 2.06 Å. Both Co(1)-F(5) bond lengths are 2.06 Å. In the second Co site, Co(2) is bonded to one O(1), one F(1), one F(2), one F(4), one F(6), and one F(7) atom to form CoOF5 octahedra that share corners with three equivalent Li(1)F4 tetrahedra, corners with three equivalent Li(2)OF3 tetrahedra,  an edgeedge with one Co(1)F6 octahedra,  an edgeedge with one Co(4)F6 octahedra,  an edgeedge with one Co(6)F6 octahedra,  an edgeedge with one Co(3)O2F4 octahedra, and  an edgeedge with one Co(5)O2F4 octahedra. The Co(2)-O(1) bond length is 1.95 Å. The Co(2)-F(1) bond length is 2.19 Å. The Co(2)-F(2) bond length is 2.17 Å. The Co(2)-F(4) bond length is 2.03 Å. The Co(2)-F(6) bond length is 2.04 Å. The Co(2)-F(7) bond length is 2.22 Å. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(5) atoms to form CoO2F4 octahedra that share corners with two equivalent Li(1)F4 tetrahedra, corners with four equivalent Li(2)OF3 tetrahedra, edges with two equivalent Co(1)F6 octahedra, edges with two equivalent Co(5)O2F4 octahedra, and edges with two equivalent Co(2)OF5 octahedra. Both Co(3)-O(1) bond lengths are 1.96 Å. Both Co(3)-F(1) bond lengths are 2.20 Å. Both Co(3)-F(5) bond lengths are 2.21 Å. In the fourth Co site, Co(4) is bonded to two equivalent F(3), two equivalent F(4), and two equivalent F(7) atoms to form CoF6 octahedra that share corners with two equivalent Li(2)OF3 tetrahedra, corners with four equivalent Li(1)F4 tetrahedra, edges with two equivalent Co(6)F6 octahedra, and edges with two equivalent Co(2)OF5 octahedra. Both Co(4)-F(3) bond lengths are 2.04 Å. Both Co(4)-F(4) bond lengths are 2.04 Å. Both Co(4)-F(7) bond lengths are 2.15 Å. In the fifth Co site, Co(5) is bonded to two equivalent O(1), two equivalent F(2), and two equivalent F(5) atoms to form CoO2F4 octahedra that share corners with two equivalent Li(1)F4 tetrahedra, corners with four equivalent Li(2)OF3 tetrahedra, edges with two equivalent Co(1)F6 octahedra, edges with two equivalent Co(3)O2F4 octahedra, and edges with two equivalent Co(2)OF5 octahedra. Both Co(5)-O(1) bond lengths are 1.96 Å. Both Co(5)-F(2) bond lengths are 2.23 Å. Both Co(5)-F(5) bond lengths are 2.19 Å. In the sixth Co site, Co(6) is bonded to two equivalent F(3), two equivalent F(6), and two equivalent F(7) atoms to form CoF6 octahedra that share corners with two equivalent Li(2)OF3 tetrahedra, corners with four equivalent Li(1)F4 tetrahedra, edges with two equivalent Co(4)F6 octahedra, and edges with two equivalent Co(2)OF5 octahedra. Both Co(6)-F(3) bond lengths are 2.02 Å. Both Co(6)-F(6) bond lengths are 2.05 Å. Both Co(6)-F(7) bond lengths are 2.12 Å. O(1) is bonded to one Li(2), one Co(2), one Co(3), and one Co(5) atom to form corner-sharing OLiCo3 tetrahedra. There are seven inequivalent F sites. In the first F site, F(1) 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 second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(1), one Co(2), and one Co(5) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(4), and one Co(6) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(1), one Co(2), and one Co(4) atom. In the fifth F site, F(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(3), and one Co(5) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(2), and one Co(6) atom. In the seventh F site, F(7) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(2), one Co(4), and one Co(6) atom.