Li7Co(O2F)2 crystallizes in the triclinic P1 space group. There are fourteen inequivalent Li sites. In the first Li site, Li(1) is bonded in a 2-coordinate geometry to one O(1), one F(1), one F(2), and one F(4) atom. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one O(2), one O(5), and one F(3) atom. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one O(1), one O(6), and one F(4) atom. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(3), one O(7), one F(1), one F(2), and one F(4) atom. In the fifth Li site, Li(5) is bonded in a 3-coordinate geometry to one O(1), one O(6), and one F(1) atom. In the sixth Li site, Li(6) is bonded in a 3-coordinate geometry to one O(5), one O(7), and one F(2) atom. In the seventh Li site, Li(7) is bonded in a distorted linear geometry to one O(8) and one F(3) atom. In the eighth Li site, Li(8) is bonded in a 4-coordinate geometry to one O(3), one O(7), one F(2), and one F(4) atom. In the ninth Li site, Li(9) is bonded in a 3-coordinate geometry to one O(1), one O(4), and one O(8) atom. In the tenth Li site, Li(10) is bonded in a 2-coordinate geometry to one O(5), one O(7), and one F(3) atom. In the eleventh Li site, Li(11) is bonded in a distorted water-like geometry to one O(4) and one O(8) atom. In the twelfth Li site, Li(12) is bonded in a 4-coordinate geometry to one O(1), one F(1), one F(2), and one F(4) atom. In the thirteenth Li site, Li(13) is bonded in a 2-coordinate geometry to one Co(1), one O(2), one O(7), and one F(3) atom. In the fourteenth Li site, Li(14) is bonded in a 2-coordinate geometry to one O(2), one O(5), and one O(7) atom. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 5-coordinate geometry to one Li(13), one O(2), one O(3), one O(5), and one O(7) atom. In the second Co site, Co(2) is bonded in a distorted linear geometry to one O(1), one O(4), and one O(6) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(1), one Li(12), one Li(3), one Li(5), one Li(9), and one Co(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(13), one Li(14), one Li(2), and one Co(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(4), one Li(8), and one Co(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(11), one Li(9), and one Co(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(10), one Li(14), one Li(2), one Li(6), and one Co(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(3), one Li(5), and one Co(2) atom. In the seventh O site, O(7) is bonded in a 7-coordinate geometry to one Li(10), one Li(13), one Li(14), one Li(4), one Li(6), one Li(8), and one Co(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(11), one Li(7), and one Li(9) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Li(12), one Li(4), and one Li(5) atom to form a mixture of distorted edge and corner-sharing FLi4 tetrahedra. In the second F site, F(2) is bonded to one Li(1), one Li(12), one Li(4), one Li(6), and one Li(8) atom to form distorted FLi5 trigonal bipyramids that share corners with three equivalent F(1)Li4 tetrahedra and edges with two equivalent F(4)Li5 trigonal bipyramids. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Li(10), one Li(13), one Li(2), and one Li(7) atom. In the fourth F site, F(4) is bonded to one Li(1), one Li(12), one Li(3), one Li(4), and one Li(8) atom to form distorted FLi5 trigonal bipyramids that share  a cornercorner with one F(1)Li4 tetrahedra,  an edgeedge with one F(1)Li4 tetrahedra, and edges with two equivalent F(2)Li5 trigonal bipyramids.
Li7Co(O2F)2 crystallizes in the triclinic P1 space group. There are fourteen inequivalent Li sites. In the first Li site, Li(1) is bonded in a 2-coordinate geometry to one O(1), one F(1), one F(2), and one F(4) atom. The Li(1)-O(1) bond length is 2.36 Å. The Li(1)-F(1) bond length is 1.81 Å. The Li(1)-F(2) bond length is 2.37 Å. The Li(1)-F(4) bond length is 1.91 Å. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one O(2), one O(5), and one F(3) atom. The Li(2)-O(2) bond length is 1.73 Å. The Li(2)-O(5) bond length is 2.24 Å. The Li(2)-F(3) bond length is 1.92 Å. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one O(1), one O(6), and one F(4) atom. The Li(3)-O(1) bond length is 1.94 Å. The Li(3)-O(6) bond length is 1.84 Å. The Li(3)-F(4) bond length is 2.29 Å. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(3), one O(7), one F(1), one F(2), and one F(4) atom. The Li(4)-O(3) bond length is 2.04 Å. The Li(4)-O(7) bond length is 2.48 Å. The Li(4)-F(1) bond length is 2.37 Å. The Li(4)-F(2) bond length is 1.90 Å. The Li(4)-F(4) bond length is 2.42 Å. In the fifth Li site, Li(5) is bonded in a 3-coordinate geometry to one O(1), one O(6), and one F(1) atom. The Li(5)-O(1) bond length is 2.04 Å. The Li(5)-O(6) bond length is 1.85 Å. The Li(5)-F(1) bond length is 2.13 Å. In the sixth Li site, Li(6) is bonded in a 3-coordinate geometry to one O(5), one O(7), and one F(2) atom. The Li(6)-O(5) bond length is 1.72 Å. The Li(6)-O(7) bond length is 2.06 Å. The Li(6)-F(2) bond length is 2.37 Å. In the seventh Li site, Li(7) is bonded in a distorted linear geometry to one O(8) and one F(3) atom. The Li(7)-O(8) bond length is 1.71 Å. The Li(7)-F(3) bond length is 1.85 Å. In the eighth Li site, Li(8) is bonded in a 4-coordinate geometry to one O(3), one O(7), one F(2), and one F(4) atom. The Li(8)-O(3) bond length is 1.87 Å. The Li(8)-O(7) bond length is 2.34 Å. The Li(8)-F(2) bond length is 1.75 Å. The Li(8)-F(4) bond length is 2.13 Å. In the ninth Li site, Li(9) is bonded in a 3-coordinate geometry to one O(1), one O(4), and one O(8) atom. The Li(9)-O(1) bond length is 2.17 Å. The Li(9)-O(4) bond length is 2.02 Å. The Li(9)-O(8) bond length is 1.96 Å. In the tenth Li site, Li(10) is bonded in a 2-coordinate geometry to one O(5), one O(7), and one F(3) atom. The Li(10)-O(5) bond length is 1.94 Å. The Li(10)-O(7) bond length is 1.67 Å. The Li(10)-F(3) bond length is 2.22 Å. In the eleventh Li site, Li(11) is bonded in a distorted water-like geometry to one O(4) and one O(8) atom. The Li(11)-O(4) bond length is 1.76 Å. The Li(11)-O(8) bond length is 1.98 Å. In the twelfth Li site, Li(12) is bonded in a 4-coordinate geometry to one O(1), one F(1), one F(2), and one F(4) atom. The Li(12)-O(1) bond length is 2.10 Å. The Li(12)-F(1) bond length is 1.93 Å. The Li(12)-F(2) bond length is 2.08 Å. The Li(12)-F(4) bond length is 1.94 Å. In the thirteenth Li site, Li(13) is bonded in a 2-coordinate geometry to one Co(1), one O(2), one O(7), and one F(3) atom. The Li(13)-Co(1) bond length is 2.03 Å. The Li(13)-O(2) bond length is 1.77 Å. The Li(13)-O(7) bond length is 2.48 Å. The Li(13)-F(3) bond length is 1.73 Å. In the fourteenth Li site, Li(14) is bonded in a 2-coordinate geometry to one O(2), one O(5), and one O(7) atom. The Li(14)-O(2) bond length is 1.89 Å. The Li(14)-O(5) bond length is 1.82 Å. The Li(14)-O(7) bond length is 2.42 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 5-coordinate geometry to one Li(13), one O(2), one O(3), one O(5), and one O(7) atom. The Co(1)-O(2) bond length is 2.07 Å. The Co(1)-O(3) bond length is 1.47 Å. The Co(1)-O(5) bond length is 2.16 Å. The Co(1)-O(7) bond length is 1.86 Å. In the second Co site, Co(2) is bonded in a distorted linear geometry to one O(1), one O(4), and one O(6) atom. The Co(2)-O(1) bond length is 2.25 Å. The Co(2)-O(4) bond length is 1.61 Å. The Co(2)-O(6) bond length is 1.61 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(1), one Li(12), one Li(3), one Li(5), one Li(9), and one Co(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(13), one Li(14), one Li(2), and one Co(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(4), one Li(8), and one Co(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(11), one Li(9), and one Co(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(10), one Li(14), one Li(2), one Li(6), and one Co(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(3), one Li(5), and one Co(2) atom. In the seventh O site, O(7) is bonded in a 7-coordinate geometry to one Li(10), one Li(13), one Li(14), one Li(4), one Li(6), one Li(8), and one Co(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(11), one Li(7), and one Li(9) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Li(12), one Li(4), and one Li(5) atom to form a mixture of distorted edge and corner-sharing FLi4 tetrahedra. In the second F site, F(2) is bonded to one Li(1), one Li(12), one Li(4), one Li(6), and one Li(8) atom to form distorted FLi5 trigonal bipyramids that share corners with three equivalent F(1)Li4 tetrahedra and edges with two equivalent F(4)Li5 trigonal bipyramids. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Li(10), one Li(13), one Li(2), and one Li(7) atom. In the fourth F site, F(4) is bonded to one Li(1), one Li(12), one Li(3), one Li(4), and one Li(8) atom to form distorted FLi5 trigonal bipyramids that share  a cornercorner with one F(1)Li4 tetrahedra,  an edgeedge with one F(1)Li4 tetrahedra, and edges with two equivalent F(2)Li5 trigonal bipyramids.