Li8Co(O2F)2 crystallizes in the triclinic P-1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(4), and one F(2) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Co(1)O4F2 octahedra,  a cornercorner with one Co(2)O4F2 octahedra, corners with three equivalent Li(7)O2F2 tetrahedra, corners with three equivalent Li(2)O3F tetrahedra,  an edgeedge with one Co(2)O4F2 octahedra,  an edgeedge with one Li(6)O2F2 tetrahedra,  an edgeedge with one Li(3)O3F tetrahedra, and  an edgeedge with one Li(8)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 24-55°. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(4), and one F(2) atom to form LiO3F tetrahedra that share  a cornercorner with one Co(1)O4F2 octahedra,  a cornercorner with one Co(2)O4F2 octahedra, corners with three equivalent Li(7)O2F2 tetrahedra, corners with three equivalent Li(1)O3F tetrahedra,  an edgeedge with one Co(2)O4F2 octahedra,  an edgeedge with one Li(6)O2F2 tetrahedra,  an edgeedge with one Li(3)O3F tetrahedra, and  an edgeedge with one Li(8)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 14-53°. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(3), and one F(1) atom to form LiO3F tetrahedra that share  a cornercorner with one Co(1)O4F2 octahedra,  a cornercorner with one Co(2)O4F2 octahedra, corners with three equivalent Li(6)O2F2 tetrahedra, corners with three equivalent Li(8)O3F tetrahedra,  an edgeedge with one Co(1)O4F2 octahedra,  an edgeedge with one Li(7)O2F2 tetrahedra,  an edgeedge with one Li(1)O3F tetrahedra, and  an edgeedge with one Li(2)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 15-55°. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(4), two equivalent O(3), and one F(2) atom. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. In the sixth Li site, Li(6) is bonded to one O(1), one O(2), one F(1), and one F(2) atom to form distorted LiO2F2 tetrahedra that share  a cornercorner with one Co(1)O4F2 octahedra,  a cornercorner with one Co(2)O4F2 octahedra, corners with three equivalent Li(3)O3F tetrahedra, corners with three equivalent Li(8)O3F tetrahedra,  an edgeedge with one Co(1)O4F2 octahedra,  an edgeedge with one Li(7)O2F2 tetrahedra,  an edgeedge with one Li(1)O3F tetrahedra, and  an edgeedge with one Li(2)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 31-53°. In the seventh Li site, Li(7) is bonded to one O(3), one O(4), one F(1), and one F(2) atom to form distorted LiO2F2 tetrahedra that share  a cornercorner with one Co(1)O4F2 octahedra,  a cornercorner with one Co(2)O4F2 octahedra, corners with three equivalent Li(1)O3F tetrahedra, corners with three equivalent Li(2)O3F tetrahedra,  an edgeedge with one Co(2)O4F2 octahedra,  an edgeedge with one Li(6)O2F2 tetrahedra,  an edgeedge with one Li(3)O3F tetrahedra, and  an edgeedge with one Li(8)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 25-54°. In the eighth Li site, Li(8) is bonded to one O(1), one O(2), one O(4), and one F(1) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Co(1)O4F2 octahedra,  a cornercorner with one Co(2)O4F2 octahedra, corners with three equivalent Li(6)O2F2 tetrahedra, corners with three equivalent Li(3)O3F tetrahedra,  an edgeedge with one Co(1)O4F2 octahedra,  an edgeedge with one Li(7)O2F2 tetrahedra,  an edgeedge with one Li(1)O3F tetrahedra, and  an edgeedge with one Li(2)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 17-53°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form distorted CoO4F2 octahedra that share corners with two equivalent Li(6)O2F2 tetrahedra, corners with two equivalent Li(7)O2F2 tetrahedra, corners with two equivalent Li(1)O3F tetrahedra, corners with two equivalent Li(2)O3F tetrahedra, corners with two equivalent Li(3)O3F tetrahedra, corners with two equivalent Li(8)O3F tetrahedra, edges with two equivalent Li(6)O2F2 tetrahedra, edges with two equivalent Li(3)O3F tetrahedra, and edges with two equivalent Li(8)O3F tetrahedra. In the second Co site, Co(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent F(2) atoms to form distorted CoO4F2 octahedra that share corners with two equivalent Li(6)O2F2 tetrahedra, corners with two equivalent Li(7)O2F2 tetrahedra, corners with two equivalent Li(1)O3F tetrahedra, corners with two equivalent Li(2)O3F tetrahedra, corners with two equivalent Li(3)O3F tetrahedra, corners with two equivalent Li(8)O3F tetrahedra, edges with two equivalent Li(7)O2F2 tetrahedra, edges with two equivalent Li(1)O3F tetrahedra, and edges with two equivalent Li(2)O3F tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Li(1), one Li(3), one Li(6), one Li(8), two equivalent Li(5), and one Co(1) atom. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(2), one Li(3), one Li(6), one Li(8), two equivalent Li(5), and one Co(1) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Li(7), two equivalent Li(4), and one Co(2) atom to form a mixture of distorted corner and edge-sharing OLi6Co pentagonal bipyramids. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(4), one Li(7), one Li(8), and one Co(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 5-coordinate geometry to one Li(3), one Li(6), one Li(7), one Li(8), and one Co(1) atom. In the second F site, F(2) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(4), one Li(6), one Li(7), and one Co(2) atom.
Li8Co(O2F)2 crystallizes in the triclinic P-1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(4), and one F(2) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Co(1)O4F2 octahedra,  a cornercorner with one Co(2)O4F2 octahedra, corners with three equivalent Li(7)O2F2 tetrahedra, corners with three equivalent Li(2)O3F tetrahedra,  an edgeedge with one Co(2)O4F2 octahedra,  an edgeedge with one Li(6)O2F2 tetrahedra,  an edgeedge with one Li(3)O3F tetrahedra, and  an edgeedge with one Li(8)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 24-55°. The Li(1)-O(1) bond length is 2.13 Å. The Li(1)-O(3) bond length is 1.91 Å. The Li(1)-O(4) bond length is 1.89 Å. The Li(1)-F(2) bond length is 1.89 Å. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(4), and one F(2) atom to form LiO3F tetrahedra that share  a cornercorner with one Co(1)O4F2 octahedra,  a cornercorner with one Co(2)O4F2 octahedra, corners with three equivalent Li(7)O2F2 tetrahedra, corners with three equivalent Li(1)O3F tetrahedra,  an edgeedge with one Co(2)O4F2 octahedra,  an edgeedge with one Li(6)O2F2 tetrahedra,  an edgeedge with one Li(3)O3F tetrahedra, and  an edgeedge with one Li(8)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 14-53°. The Li(2)-O(2) bond length is 2.03 Å. The Li(2)-O(3) bond length is 1.95 Å. The Li(2)-O(4) bond length is 1.94 Å. The Li(2)-F(2) bond length is 1.94 Å. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(3), and one F(1) atom to form LiO3F tetrahedra that share  a cornercorner with one Co(1)O4F2 octahedra,  a cornercorner with one Co(2)O4F2 octahedra, corners with three equivalent Li(6)O2F2 tetrahedra, corners with three equivalent Li(8)O3F tetrahedra,  an edgeedge with one Co(1)O4F2 octahedra,  an edgeedge with one Li(7)O2F2 tetrahedra,  an edgeedge with one Li(1)O3F tetrahedra, and  an edgeedge with one Li(2)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 15-55°. The Li(3)-O(1) bond length is 1.93 Å. The Li(3)-O(2) bond length is 1.95 Å. The Li(3)-O(3) bond length is 2.07 Å. The Li(3)-F(1) bond length is 1.95 Å. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(4), two equivalent O(3), and one F(2) atom. The Li(4)-O(4) bond length is 1.99 Å. There is one shorter (2.00 Å) and one longer (2.10 Å) Li(4)-O(3) bond length. The Li(4)-F(2) bond length is 2.44 Å. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. There is one shorter (2.00 Å) and one longer (2.24 Å) Li(5)-O(1) bond length. There is one shorter (1.96 Å) and one longer (2.39 Å) Li(5)-O(2) bond length. In the sixth Li site, Li(6) is bonded to one O(1), one O(2), one F(1), and one F(2) atom to form distorted LiO2F2 tetrahedra that share  a cornercorner with one Co(1)O4F2 octahedra,  a cornercorner with one Co(2)O4F2 octahedra, corners with three equivalent Li(3)O3F tetrahedra, corners with three equivalent Li(8)O3F tetrahedra,  an edgeedge with one Co(1)O4F2 octahedra,  an edgeedge with one Li(7)O2F2 tetrahedra,  an edgeedge with one Li(1)O3F tetrahedra, and  an edgeedge with one Li(2)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 31-53°. The Li(6)-O(1) bond length is 1.88 Å. The Li(6)-O(2) bond length is 1.86 Å. The Li(6)-F(1) bond length is 1.86 Å. The Li(6)-F(2) bond length is 2.02 Å. In the seventh Li site, Li(7) is bonded to one O(3), one O(4), one F(1), and one F(2) atom to form distorted LiO2F2 tetrahedra that share  a cornercorner with one Co(1)O4F2 octahedra,  a cornercorner with one Co(2)O4F2 octahedra, corners with three equivalent Li(1)O3F tetrahedra, corners with three equivalent Li(2)O3F tetrahedra,  an edgeedge with one Co(2)O4F2 octahedra,  an edgeedge with one Li(6)O2F2 tetrahedra,  an edgeedge with one Li(3)O3F tetrahedra, and  an edgeedge with one Li(8)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 25-54°. The Li(7)-O(3) bond length is 1.91 Å. The Li(7)-O(4) bond length is 1.90 Å. The Li(7)-F(1) bond length is 1.99 Å. The Li(7)-F(2) bond length is 1.94 Å. In the eighth Li site, Li(8) is bonded to one O(1), one O(2), one O(4), and one F(1) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Co(1)O4F2 octahedra,  a cornercorner with one Co(2)O4F2 octahedra, corners with three equivalent Li(6)O2F2 tetrahedra, corners with three equivalent Li(3)O3F tetrahedra,  an edgeedge with one Co(1)O4F2 octahedra,  an edgeedge with one Li(7)O2F2 tetrahedra,  an edgeedge with one Li(1)O3F tetrahedra, and  an edgeedge with one Li(2)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 17-53°. The Li(8)-O(1) bond length is 1.94 Å. The Li(8)-O(2) bond length is 1.95 Å. The Li(8)-O(4) bond length is 2.06 Å. The Li(8)-F(1) bond length is 1.96 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form distorted CoO4F2 octahedra that share corners with two equivalent Li(6)O2F2 tetrahedra, corners with two equivalent Li(7)O2F2 tetrahedra, corners with two equivalent Li(1)O3F tetrahedra, corners with two equivalent Li(2)O3F tetrahedra, corners with two equivalent Li(3)O3F tetrahedra, corners with two equivalent Li(8)O3F tetrahedra, edges with two equivalent Li(6)O2F2 tetrahedra, edges with two equivalent Li(3)O3F tetrahedra, and edges with two equivalent Li(8)O3F tetrahedra. Both Co(1)-O(1) bond lengths are 2.10 Å. Both Co(1)-O(2) bond lengths are 2.16 Å. Both Co(1)-F(1) bond lengths are 2.36 Å. In the second Co site, Co(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent F(2) atoms to form distorted CoO4F2 octahedra that share corners with two equivalent Li(6)O2F2 tetrahedra, corners with two equivalent Li(7)O2F2 tetrahedra, corners with two equivalent Li(1)O3F tetrahedra, corners with two equivalent Li(2)O3F tetrahedra, corners with two equivalent Li(3)O3F tetrahedra, corners with two equivalent Li(8)O3F tetrahedra, edges with two equivalent Li(7)O2F2 tetrahedra, edges with two equivalent Li(1)O3F tetrahedra, and edges with two equivalent Li(2)O3F tetrahedra. Both Co(2)-O(3) bond lengths are 2.16 Å. Both Co(2)-O(4) bond lengths are 2.07 Å. Both Co(2)-F(2) bond lengths are 2.40 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Li(1), one Li(3), one Li(6), one Li(8), two equivalent Li(5), and one Co(1) atom. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(2), one Li(3), one Li(6), one Li(8), two equivalent Li(5), and one Co(1) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Li(7), two equivalent Li(4), and one Co(2) atom to form a mixture of distorted corner and edge-sharing OLi6Co pentagonal bipyramids. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(4), one Li(7), one Li(8), and one Co(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 5-coordinate geometry to one Li(3), one Li(6), one Li(7), one Li(8), and one Co(1) atom. In the second F site, F(2) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(4), one Li(6), one Li(7), and one Co(2) atom.