Li8CoO5F crystallizes in the triclinic P1 space group. There are sixteen inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(5), and one F(2) atom to form LiO3F tetrahedra that share  a cornercorner with one Co(2)O5 square pyramid, corners with two equivalent Li(8)O4F square pyramids,  a cornercorner with one Li(11)O3F tetrahedra,  a cornercorner with one Li(14)O3F tetrahedra, corners with two equivalent Li(12)O3F tetrahedra, corners with two equivalent Li(13)O3F tetrahedra,  an edgeedge with one Li(7)O4F square pyramid,  an edgeedge with one Li(16)O3F tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(2), one O(4), one O(6), and one F(1) atom to form LiO3F tetrahedra that share corners with two equivalent Li(7)O4F square pyramids, corners with two equivalent Co(2)O5 square pyramids,  a cornercorner with one Li(12)O3F tetrahedra,  a cornercorner with one Li(13)O3F tetrahedra, corners with two equivalent Li(11)O3F tetrahedra, corners with two equivalent Li(14)O3F tetrahedra,  an edgeedge with one Li(8)O4F square pyramid,  an edgeedge with one Li(15)O3F tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(1), one O(3), one O(7), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(8)O4F square pyramid,  a cornercorner with one Co(2)O5 square pyramid, corners with two equivalent Li(7)O4F square pyramids,  a cornercorner with one Li(16)O3F tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(15)O3F tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(11)O3F tetrahedra, and  an edgeedge with one Li(13)O3F tetrahedra. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), one O(4), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(7)O4F square pyramid,  a cornercorner with one Co(2)O5 square pyramid, corners with two equivalent Li(8)O4F square pyramids,  a cornercorner with one Li(15)O3F tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with two equivalent Li(16)O3F tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Co(2)O5 square pyramid,  an edgeedge with one Li(12)O3F tetrahedra,  an edgeedge with one Li(14)O3F tetrahedra, and  an edgeedge with one Li(2)O3F tetrahedra. In the fifth Li site, Li(5) is bonded to one O(1), one O(5), one O(8), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(7)O4F square pyramid, corners with two equivalent Li(8)O4F square pyramids,  a cornercorner with one Li(15)O3F tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(16)O3F tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Co(2)O5 square pyramid,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(12)O3F tetrahedra, and  an edgeedge with one Li(13)O3F tetrahedra. In the sixth Li site, Li(6) is bonded to one O(10), one O(2), one O(6), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(8)O4F square pyramid, corners with two equivalent Li(7)O4F square pyramids, corners with two equivalent Co(2)O5 square pyramids,  a cornercorner with one Li(16)O3F tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(15)O3F tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Li(11)O3F tetrahedra,  an edgeedge with one Li(14)O3F tetrahedra, and  an edgeedge with one Li(2)O3F tetrahedra. In the seventh Li site, Li(7) is bonded to one O(2), one O(3), one O(5), one O(7), and one F(1) atom to form distorted LiO4F square pyramids that share  a cornercorner with one Li(11)O3F tetrahedra,  a cornercorner with one Li(12)O3F tetrahedra,  a cornercorner with one Li(13)O3F tetrahedra,  a cornercorner with one Li(15)O3F tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with two equivalent Li(2)O3F tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(11)O3F tetrahedra,  an edgeedge with one Li(13)O3F tetrahedra, and  an edgeedge with one Li(15)O3F tetrahedra. In the eighth Li site, Li(8) is bonded to one O(1), one O(4), one O(6), one O(8), and one F(2) atom to form LiO4F square pyramids that share  a cornercorner with one Li(11)O3F tetrahedra,  a cornercorner with one Li(12)O3F tetrahedra,  a cornercorner with one Li(14)O3F tetrahedra,  a cornercorner with one Li(16)O3F tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(1)O3F tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, edges with two equivalent Co(2)O5 square pyramids,  an edgeedge with one Li(12)O3F tetrahedra,  an edgeedge with one Li(14)O3F tetrahedra,  an edgeedge with one Li(16)O3F tetrahedra, and  an edgeedge with one Li(2)O3F tetrahedra. In the ninth Li site, Li(9) is bonded in a 3-coordinate geometry to one O(1), one O(5), one O(7), and one O(9) atom. In the tenth Li site, Li(10) is bonded in a 5-coordinate geometry to one O(10), one O(2), one O(6), one O(8), and one F(1) atom. In the eleventh Li site, Li(11) is bonded to one O(3), one O(6), one O(7), and one F(1) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Li(7)O4F square pyramid,  a cornercorner with one Li(8)O4F square pyramid,  a cornercorner with one Co(2)O5 square pyramid,  a cornercorner with one Li(1)O3F tetrahedra,  a cornercorner with one Li(14)O3F tetrahedra, corners with two equivalent Li(13)O3F tetrahedra, corners with two equivalent Li(2)O3F tetrahedra,  an edgeedge with one Li(7)O4F square pyramid,  an edgeedge with one Li(15)O3F tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. In the twelfth Li site, Li(12) is bonded to one O(4), one O(5), one O(8), and one F(2) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Li(7)O4F square pyramid,  a cornercorner with one Li(8)O4F square pyramid, corners with two equivalent Co(2)O5 square pyramids,  a cornercorner with one Li(13)O3F tetrahedra,  a cornercorner with one Li(2)O3F tetrahedra, corners with two equivalent Li(1)O3F tetrahedra, corners with two equivalent Li(14)O3F tetrahedra,  an edgeedge with one Li(8)O4F square pyramid,  an edgeedge with one Li(16)O3F tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. In the thirteenth Li site, Li(13) is bonded to one O(3), one O(5), one O(9), and one F(1) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(7)O4F square pyramid,  a cornercorner with one Li(12)O3F tetrahedra,  a cornercorner with one Li(2)O3F tetrahedra, corners with two equivalent Li(1)O3F tetrahedra, corners with two equivalent Li(11)O3F tetrahedra,  an edgeedge with one Li(7)O4F square pyramid,  an edgeedge with one Li(15)O3F tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. In the fourteenth Li site, Li(14) is bonded to one O(10), one O(4), one O(6), and one F(2) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Li(8)O4F square pyramid,  a cornercorner with one Co(2)O5 square pyramid,  a cornercorner with one Li(1)O3F tetrahedra,  a cornercorner with one Li(11)O3F tetrahedra, corners with two equivalent Li(12)O3F tetrahedra, corners with two equivalent Li(2)O3F tetrahedra,  an edgeedge with one Li(8)O4F square pyramid,  an edgeedge with one Co(2)O5 square pyramid,  an edgeedge with one Li(16)O3F tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. In the fifteenth Li site, Li(15) is bonded to one O(2), one O(7), one O(9), and one F(1) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(7)O4F square pyramid,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Li(7)O4F square pyramid,  an edgeedge with one Li(11)O3F tetrahedra,  an edgeedge with one Li(13)O3F tetrahedra, and  an edgeedge with one Li(2)O3F tetrahedra. In the sixteenth Li site, Li(16) is bonded to one O(1), one O(10), one O(8), and one F(2) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(8)O4F square pyramid,  a cornercorner with one Co(2)O5 square pyramid,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Li(8)O4F square pyramid,  an edgeedge with one Co(2)O5 square pyramid,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(12)O3F tetrahedra, and  an edgeedge with one Li(14)O3F tetrahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(5), one O(7), and one O(9) atom. In the second Co site, Co(2) is bonded to one O(1), one O(10), one O(4), one O(6), and one O(8) atom to form distorted CoO5 square pyramids that share  a cornercorner with one Li(1)O3F tetrahedra,  a cornercorner with one Li(11)O3F tetrahedra,  a cornercorner with one Li(14)O3F tetrahedra,  a cornercorner with one Li(16)O3F tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(12)O3F tetrahedra, corners with two equivalent Li(2)O3F tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, edges with two equivalent Li(8)O4F square pyramids,  an edgeedge with one Li(14)O3F tetrahedra,  an edgeedge with one Li(16)O3F tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Li(1), one Li(16), one Li(3), one Li(5), one Li(8), one Li(9), and one Co(2) atom. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(10), one Li(15), one Li(2), one Li(4), one Li(6), one Li(7), and one Co(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(1), one Li(11), one Li(13), one Li(3), one Li(7), and one Co(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(12), one Li(14), one Li(2), one Li(4), one Li(8), and one Co(2) atom. In the fifth O site, O(5) is bonded in a 7-coordinate geometry to one Li(1), one Li(12), one Li(13), one Li(5), one Li(7), one Li(9), and one Co(1) atom. In the sixth O site, O(6) is bonded to one Li(10), one Li(11), one Li(14), one Li(2), one Li(6), one Li(8), and one Co(2) atom to form distorted edge-sharing OLi6Co pentagonal bipyramids. In the seventh O site, O(7) is bonded in a 7-coordinate geometry to one Li(11), one Li(15), one Li(3), one Li(6), one Li(7), one Li(9), and one Co(1) atom. In the eighth O site, O(8) is bonded in a 7-coordinate geometry to one Li(10), one Li(12), one Li(16), one Li(4), one Li(5), one Li(8), and one Co(2) atom. In the ninth O site, O(9) is bonded in a distorted pentagonal pyramidal geometry to one Li(13), one Li(15), one Li(3), one Li(5), one Li(9), and one Co(1) atom. In the tenth O site, O(10) is bonded to one Li(10), one Li(14), one Li(16), one Li(4), one Li(6), and one Co(2) atom to form distorted edge-sharing OLi5Co pentagonal pyramids. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 6-coordinate geometry to one Li(10), one Li(11), one Li(13), one Li(15), one Li(2), and one Li(7) atom. In the second F site, F(2) is bonded in a 5-coordinate geometry to one Li(1), one Li(12), one Li(14), one Li(16), and one Li(8) atom.
Li8CoO5F crystallizes in the triclinic P1 space group. There are sixteen inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(5), and one F(2) atom to form LiO3F tetrahedra that share  a cornercorner with one Co(2)O5 square pyramid, corners with two equivalent Li(8)O4F square pyramids,  a cornercorner with one Li(11)O3F tetrahedra,  a cornercorner with one Li(14)O3F tetrahedra, corners with two equivalent Li(12)O3F tetrahedra, corners with two equivalent Li(13)O3F tetrahedra,  an edgeedge with one Li(7)O4F square pyramid,  an edgeedge with one Li(16)O3F tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. The Li(1)-O(1) bond length is 2.05 Å. The Li(1)-O(3) bond length is 1.95 Å. The Li(1)-O(5) bond length is 1.89 Å. The Li(1)-F(2) bond length is 1.91 Å. In the second Li site, Li(2) is bonded to one O(2), one O(4), one O(6), and one F(1) atom to form LiO3F tetrahedra that share corners with two equivalent Li(7)O4F square pyramids, corners with two equivalent Co(2)O5 square pyramids,  a cornercorner with one Li(12)O3F tetrahedra,  a cornercorner with one Li(13)O3F tetrahedra, corners with two equivalent Li(11)O3F tetrahedra, corners with two equivalent Li(14)O3F tetrahedra,  an edgeedge with one Li(8)O4F square pyramid,  an edgeedge with one Li(15)O3F tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. The Li(2)-O(2) bond length is 2.07 Å. The Li(2)-O(4) bond length is 1.93 Å. The Li(2)-O(6) bond length is 1.93 Å. The Li(2)-F(1) bond length is 1.94 Å. In the third Li site, Li(3) is bonded to one O(1), one O(3), one O(7), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(8)O4F square pyramid,  a cornercorner with one Co(2)O5 square pyramid, corners with two equivalent Li(7)O4F square pyramids,  a cornercorner with one Li(16)O3F tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(15)O3F tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(11)O3F tetrahedra, and  an edgeedge with one Li(13)O3F tetrahedra. The Li(3)-O(1) bond length is 1.91 Å. The Li(3)-O(3) bond length is 2.17 Å. The Li(3)-O(7) bond length is 1.90 Å. The Li(3)-O(9) bond length is 1.93 Å. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), one O(4), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(7)O4F square pyramid,  a cornercorner with one Co(2)O5 square pyramid, corners with two equivalent Li(8)O4F square pyramids,  a cornercorner with one Li(15)O3F tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with two equivalent Li(16)O3F tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Co(2)O5 square pyramid,  an edgeedge with one Li(12)O3F tetrahedra,  an edgeedge with one Li(14)O3F tetrahedra, and  an edgeedge with one Li(2)O3F tetrahedra. The Li(4)-O(10) bond length is 1.93 Å. The Li(4)-O(2) bond length is 1.97 Å. The Li(4)-O(4) bond length is 2.12 Å. The Li(4)-O(8) bond length is 1.93 Å. In the fifth Li site, Li(5) is bonded to one O(1), one O(5), one O(8), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(7)O4F square pyramid, corners with two equivalent Li(8)O4F square pyramids,  a cornercorner with one Li(15)O3F tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(16)O3F tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Co(2)O5 square pyramid,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(12)O3F tetrahedra, and  an edgeedge with one Li(13)O3F tetrahedra. The Li(5)-O(1) bond length is 1.95 Å. The Li(5)-O(5) bond length is 2.10 Å. The Li(5)-O(8) bond length is 1.97 Å. The Li(5)-O(9) bond length is 1.96 Å. In the sixth Li site, Li(6) is bonded to one O(10), one O(2), one O(6), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(8)O4F square pyramid, corners with two equivalent Li(7)O4F square pyramids, corners with two equivalent Co(2)O5 square pyramids,  a cornercorner with one Li(16)O3F tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(15)O3F tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Li(11)O3F tetrahedra,  an edgeedge with one Li(14)O3F tetrahedra, and  an edgeedge with one Li(2)O3F tetrahedra. The Li(6)-O(10) bond length is 1.90 Å. The Li(6)-O(2) bond length is 1.96 Å. The Li(6)-O(6) bond length is 2.10 Å. The Li(6)-O(7) bond length is 1.92 Å. In the seventh Li site, Li(7) is bonded to one O(2), one O(3), one O(5), one O(7), and one F(1) atom to form distorted LiO4F square pyramids that share  a cornercorner with one Li(11)O3F tetrahedra,  a cornercorner with one Li(12)O3F tetrahedra,  a cornercorner with one Li(13)O3F tetrahedra,  a cornercorner with one Li(15)O3F tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with two equivalent Li(2)O3F tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(11)O3F tetrahedra,  an edgeedge with one Li(13)O3F tetrahedra, and  an edgeedge with one Li(15)O3F tetrahedra. The Li(7)-O(2) bond length is 2.39 Å. The Li(7)-O(3) bond length is 2.10 Å. The Li(7)-O(5) bond length is 2.08 Å. The Li(7)-O(7) bond length is 2.00 Å. The Li(7)-F(1) bond length is 2.16 Å. In the eighth Li site, Li(8) is bonded to one O(1), one O(4), one O(6), one O(8), and one F(2) atom to form LiO4F square pyramids that share  a cornercorner with one Li(11)O3F tetrahedra,  a cornercorner with one Li(12)O3F tetrahedra,  a cornercorner with one Li(14)O3F tetrahedra,  a cornercorner with one Li(16)O3F tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(1)O3F tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, edges with two equivalent Co(2)O5 square pyramids,  an edgeedge with one Li(12)O3F tetrahedra,  an edgeedge with one Li(14)O3F tetrahedra,  an edgeedge with one Li(16)O3F tetrahedra, and  an edgeedge with one Li(2)O3F tetrahedra. The Li(8)-O(1) bond length is 2.17 Å. The Li(8)-O(4) bond length is 2.14 Å. The Li(8)-O(6) bond length is 2.19 Å. The Li(8)-O(8) bond length is 2.06 Å. The Li(8)-F(2) bond length is 2.10 Å. In the ninth Li site, Li(9) is bonded in a 3-coordinate geometry to one O(1), one O(5), one O(7), and one O(9) atom. The Li(9)-O(1) bond length is 2.02 Å. The Li(9)-O(5) bond length is 2.01 Å. The Li(9)-O(7) bond length is 2.41 Å. The Li(9)-O(9) bond length is 2.01 Å. In the tenth Li site, Li(10) is bonded in a 5-coordinate geometry to one O(10), one O(2), one O(6), one O(8), and one F(1) atom. The Li(10)-O(10) bond length is 1.99 Å. The Li(10)-O(2) bond length is 2.02 Å. The Li(10)-O(6) bond length is 2.05 Å. The Li(10)-O(8) bond length is 2.42 Å. The Li(10)-F(1) bond length is 2.49 Å. In the eleventh Li site, Li(11) is bonded to one O(3), one O(6), one O(7), and one F(1) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Li(7)O4F square pyramid,  a cornercorner with one Li(8)O4F square pyramid,  a cornercorner with one Co(2)O5 square pyramid,  a cornercorner with one Li(1)O3F tetrahedra,  a cornercorner with one Li(14)O3F tetrahedra, corners with two equivalent Li(13)O3F tetrahedra, corners with two equivalent Li(2)O3F tetrahedra,  an edgeedge with one Li(7)O4F square pyramid,  an edgeedge with one Li(15)O3F tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. The Li(11)-O(3) bond length is 1.94 Å. The Li(11)-O(6) bond length is 1.95 Å. The Li(11)-O(7) bond length is 2.06 Å. The Li(11)-F(1) bond length is 1.98 Å. In the twelfth Li site, Li(12) is bonded to one O(4), one O(5), one O(8), and one F(2) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Li(7)O4F square pyramid,  a cornercorner with one Li(8)O4F square pyramid, corners with two equivalent Co(2)O5 square pyramids,  a cornercorner with one Li(13)O3F tetrahedra,  a cornercorner with one Li(2)O3F tetrahedra, corners with two equivalent Li(1)O3F tetrahedra, corners with two equivalent Li(14)O3F tetrahedra,  an edgeedge with one Li(8)O4F square pyramid,  an edgeedge with one Li(16)O3F tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. The Li(12)-O(4) bond length is 1.93 Å. The Li(12)-O(5) bond length is 1.93 Å. The Li(12)-O(8) bond length is 2.18 Å. The Li(12)-F(2) bond length is 1.93 Å. In the thirteenth Li site, Li(13) is bonded to one O(3), one O(5), one O(9), and one F(1) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(7)O4F square pyramid,  a cornercorner with one Li(12)O3F tetrahedra,  a cornercorner with one Li(2)O3F tetrahedra, corners with two equivalent Li(1)O3F tetrahedra, corners with two equivalent Li(11)O3F tetrahedra,  an edgeedge with one Li(7)O4F square pyramid,  an edgeedge with one Li(15)O3F tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. The Li(13)-O(3) bond length is 1.91 Å. The Li(13)-O(5) bond length is 1.89 Å. The Li(13)-O(9) bond length is 2.00 Å. The Li(13)-F(1) bond length is 1.91 Å. In the fourteenth Li site, Li(14) is bonded to one O(10), one O(4), one O(6), and one F(2) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Li(8)O4F square pyramid,  a cornercorner with one Co(2)O5 square pyramid,  a cornercorner with one Li(1)O3F tetrahedra,  a cornercorner with one Li(11)O3F tetrahedra, corners with two equivalent Li(12)O3F tetrahedra, corners with two equivalent Li(2)O3F tetrahedra,  an edgeedge with one Li(8)O4F square pyramid,  an edgeedge with one Co(2)O5 square pyramid,  an edgeedge with one Li(16)O3F tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. The Li(14)-O(10) bond length is 2.02 Å. The Li(14)-O(4) bond length is 1.90 Å. The Li(14)-O(6) bond length is 1.93 Å. The Li(14)-F(2) bond length is 1.91 Å. In the fifteenth Li site, Li(15) is bonded to one O(2), one O(7), one O(9), and one F(1) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(7)O4F square pyramid,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Li(7)O4F square pyramid,  an edgeedge with one Li(11)O3F tetrahedra,  an edgeedge with one Li(13)O3F tetrahedra, and  an edgeedge with one Li(2)O3F tetrahedra. The Li(15)-O(2) bond length is 1.89 Å. The Li(15)-O(7) bond length is 1.85 Å. The Li(15)-O(9) bond length is 1.97 Å. The Li(15)-F(1) bond length is 1.91 Å. In the sixteenth Li site, Li(16) is bonded to one O(1), one O(10), one O(8), and one F(2) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(8)O4F square pyramid,  a cornercorner with one Co(2)O5 square pyramid,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Li(8)O4F square pyramid,  an edgeedge with one Co(2)O5 square pyramid,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(12)O3F tetrahedra, and  an edgeedge with one Li(14)O3F tetrahedra. The Li(16)-O(1) bond length is 1.89 Å. The Li(16)-O(10) bond length is 1.94 Å. The Li(16)-O(8) bond length is 1.92 Å. The Li(16)-F(2) bond length is 1.92 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(5), one O(7), and one O(9) atom. The Co(1)-O(2) bond length is 2.02 Å. The Co(1)-O(3) bond length is 1.89 Å. The Co(1)-O(5) bond length is 2.27 Å. The Co(1)-O(7) bond length is 2.08 Å. The Co(1)-O(9) bond length is 1.90 Å. In the second Co site, Co(2) is bonded to one O(1), one O(10), one O(4), one O(6), and one O(8) atom to form distorted CoO5 square pyramids that share  a cornercorner with one Li(1)O3F tetrahedra,  a cornercorner with one Li(11)O3F tetrahedra,  a cornercorner with one Li(14)O3F tetrahedra,  a cornercorner with one Li(16)O3F tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(12)O3F tetrahedra, corners with two equivalent Li(2)O3F tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, edges with two equivalent Li(8)O4F square pyramids,  an edgeedge with one Li(14)O3F tetrahedra,  an edgeedge with one Li(16)O3F tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. The Co(2)-O(1) bond length is 2.20 Å. The Co(2)-O(10) bond length is 1.90 Å. The Co(2)-O(4) bond length is 1.91 Å. The Co(2)-O(6) bond length is 2.06 Å. The Co(2)-O(8) bond length is 1.95 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Li(1), one Li(16), one Li(3), one Li(5), one Li(8), one Li(9), and one Co(2) atom. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(10), one Li(15), one Li(2), one Li(4), one Li(6), one Li(7), and one Co(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(1), one Li(11), one Li(13), one Li(3), one Li(7), and one Co(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(12), one Li(14), one Li(2), one Li(4), one Li(8), and one Co(2) atom. In the fifth O site, O(5) is bonded in a 7-coordinate geometry to one Li(1), one Li(12), one Li(13), one Li(5), one Li(7), one Li(9), and one Co(1) atom. In the sixth O site, O(6) is bonded to one Li(10), one Li(11), one Li(14), one Li(2), one Li(6), one Li(8), and one Co(2) atom to form distorted edge-sharing OLi6Co pentagonal bipyramids. In the seventh O site, O(7) is bonded in a 7-coordinate geometry to one Li(11), one Li(15), one Li(3), one Li(6), one Li(7), one Li(9), and one Co(1) atom. In the eighth O site, O(8) is bonded in a 7-coordinate geometry to one Li(10), one Li(12), one Li(16), one Li(4), one Li(5), one Li(8), and one Co(2) atom. In the ninth O site, O(9) is bonded in a distorted pentagonal pyramidal geometry to one Li(13), one Li(15), one Li(3), one Li(5), one Li(9), and one Co(1) atom. In the tenth O site, O(10) is bonded to one Li(10), one Li(14), one Li(16), one Li(4), one Li(6), and one Co(2) atom to form distorted edge-sharing OLi5Co pentagonal pyramids. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 6-coordinate geometry to one Li(10), one Li(11), one Li(13), one Li(15), one Li(2), and one Li(7) atom. In the second F site, F(2) is bonded in a 5-coordinate geometry to one Li(1), one Li(12), one Li(14), one Li(16), and one Li(8) atom.