Li8Co(O2F)2 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), and two equivalent F(1) atoms to form LiO2F2 tetrahedra that share corners with three equivalent Li(2)O3F tetrahedra, corners with three equivalent Li(3)O3F tetrahedra,  an edgeedge with one Li(1)O2F2 tetrahedra,  an edgeedge with one Li(2)O3F tetrahedra, and  an edgeedge with one Li(3)O3F tetrahedra. In the second Li site, Li(2) is bonded to one O(2), two equivalent O(1), and one F(1) atom to form LiO3F tetrahedra that share corners with three equivalent Li(1)O2F2 tetrahedra, corners with three equivalent Li(3)O3F tetrahedra,  an edgeedge with one Li(1)O2F2 tetrahedra,  an edgeedge with one Li(2)O3F tetrahedra, and  an edgeedge with one Li(3)O3F tetrahedra. In the third Li site, Li(3) is bonded to one O(1), two equivalent O(2), and one F(1) atom to form distorted LiO3F tetrahedra that share corners with three equivalent Li(1)O2F2 tetrahedra, corners with three equivalent Li(2)O3F tetrahedra,  an edgeedge with one Li(1)O2F2 tetrahedra,  an edgeedge with one Li(2)O3F tetrahedra, and  an edgeedge with one Li(3)O3F tetrahedra. In the fourth Li site, Li(4) is bonded in a 3-coordinate geometry to one O(1), two equivalent O(2), and two equivalent F(1) atoms. Co(1) is bonded in a distorted square co-planar geometry to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(1), one Li(3), one Li(4), two equivalent Li(2), and one Co(1) atom. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(1), one Li(2), two equivalent Li(3), two equivalent Li(4), and one Co(1) atom. F(1) is bonded in a 7-coordinate geometry to one Li(2), one Li(3), two equivalent Li(1), two equivalent Li(4), and one Co(1) atom.
Li8Co(O2F)2 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), and two equivalent F(1) atoms to form LiO2F2 tetrahedra that share corners with three equivalent Li(2)O3F tetrahedra, corners with three equivalent Li(3)O3F tetrahedra,  an edgeedge with one Li(1)O2F2 tetrahedra,  an edgeedge with one Li(2)O3F tetrahedra, and  an edgeedge with one Li(3)O3F tetrahedra. The Li(1)-O(1) bond length is 1.94 Å. The Li(1)-O(2) bond length is 1.89 Å. There is one shorter (1.96 Å) and one longer (2.01 Å) Li(1)-F(1) bond length. In the second Li site, Li(2) is bonded to one O(2), two equivalent O(1), and one F(1) atom to form LiO3F tetrahedra that share corners with three equivalent Li(1)O2F2 tetrahedra, corners with three equivalent Li(3)O3F tetrahedra,  an edgeedge with one Li(1)O2F2 tetrahedra,  an edgeedge with one Li(2)O3F tetrahedra, and  an edgeedge with one Li(3)O3F tetrahedra. The Li(2)-O(2) bond length is 1.90 Å. There is one shorter (1.90 Å) and one longer (2.05 Å) Li(2)-O(1) bond length. The Li(2)-F(1) bond length is 1.93 Å. In the third Li site, Li(3) is bonded to one O(1), two equivalent O(2), and one F(1) atom to form distorted LiO3F tetrahedra that share corners with three equivalent Li(1)O2F2 tetrahedra, corners with three equivalent Li(2)O3F tetrahedra,  an edgeedge with one Li(1)O2F2 tetrahedra,  an edgeedge with one Li(2)O3F tetrahedra, and  an edgeedge with one Li(3)O3F tetrahedra. The Li(3)-O(1) bond length is 1.91 Å. There is one shorter (1.95 Å) and one longer (2.08 Å) Li(3)-O(2) bond length. The Li(3)-F(1) bond length is 2.00 Å. In the fourth Li site, Li(4) is bonded in a 3-coordinate geometry to one O(1), two equivalent O(2), and two equivalent F(1) atoms. The Li(4)-O(1) bond length is 1.96 Å. There is one shorter (1.98 Å) and one longer (2.47 Å) Li(4)-O(2) bond length. There is one shorter (2.30 Å) and one longer (2.52 Å) Li(4)-F(1) bond length. Co(1) is bonded in a distorted square co-planar geometry to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms. Both Co(1)-O(1) bond lengths are 2.04 Å. Both Co(1)-O(2) bond lengths are 2.12 Å. Both Co(1)-F(1) bond lengths are 2.60 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(1), one Li(3), one Li(4), two equivalent Li(2), and one Co(1) atom. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(1), one Li(2), two equivalent Li(3), two equivalent Li(4), and one Co(1) atom. F(1) is bonded in a 7-coordinate geometry to one Li(2), one Li(3), two equivalent Li(1), two equivalent Li(4), and one Co(1) atom.