Li6Co2OF11 is Ilmenite-derived structured and crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one F(1), one F(10), one F(5), one F(7), and one F(8) atom. In the second Li site, Li(2) is bonded to one F(11), one F(2), one F(3), one F(4), one F(6), and one F(9) atom to form distorted LiF6 octahedra that share corners with two equivalent Li(4)F6 octahedra, corners with three equivalent Co(1)OF5 octahedra, corners with three equivalent Li(6)F6 pentagonal pyramids,  an edgeedge with one Co(2)OF5 octahedra, and  a faceface with one Li(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-66°. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(1), one F(1), one F(10), one F(3), one F(5), and one F(7) atom. In the fourth Li site, Li(4) is bonded to one F(11), one F(2), one F(4), one F(6), one F(8), and one F(9) atom to form distorted LiF6 octahedra that share corners with two equivalent Li(2)F6 octahedra, corners with three equivalent Co(2)OF5 octahedra,  an edgeedge with one Co(1)OF5 octahedra, edges with two equivalent Li(6)F6 pentagonal pyramids, and  a faceface with one Li(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-66°. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one F(1), one F(10), one F(3), one F(4), one F(6), and one F(9) atom. In the sixth Li site, Li(6) is bonded to one F(11), one F(2), one F(5), one F(7), one F(8), and one F(9) atom to form distorted LiF6 pentagonal pyramids that share corners with two equivalent Co(2)OF5 octahedra, corners with three equivalent Li(2)F6 octahedra, edges with two equivalent Li(4)F6 octahedra, and  a faceface with one Co(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 47-59°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one F(1), one F(10), one F(3), one F(4), and one F(6) atom to form CoOF5 octahedra that share  a cornercorner with one Co(2)OF5 octahedra, corners with three equivalent Li(2)F6 octahedra, and  an edgeedge with one Li(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 44-51°. In the second Co site, Co(2) is bonded to one O(1), one F(11), one F(2), one F(5), one F(7), and one F(8) atom to form CoOF5 octahedra that share  a cornercorner with one Co(1)OF5 octahedra, corners with three equivalent Li(4)F6 octahedra, corners with two equivalent Li(6)F6 pentagonal pyramids,  an edgeedge with one Li(2)F6 octahedra, and  a faceface with one Li(6)F6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 44-52°. O(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Co(1), and one Co(2) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(3), one Li(5), and one Co(1) atom. In the second F site, F(2) is bonded to one Li(2), one Li(4), one Li(6), and one Co(2) atom to form distorted FLi3Co trigonal pyramids that share  a cornercorner with one F(3)Li3Co trigonal pyramid,  a cornercorner with one F(8)Li3Co trigonal pyramid, corners with two equivalent F(4)Li3Co trigonal pyramids, corners with two equivalent F(5)Li3Co trigonal pyramids, corners with two equivalent F(6)Li3Co trigonal pyramids, corners with three equivalent F(9)Li4 trigonal pyramids,  an edgeedge with one F(7)Li3Co trigonal pyramid, and  an edgeedge with one F(8)Li3Co trigonal pyramid. In the third F site, F(3) is bonded to one Li(2), one Li(3), one Li(5), and one Co(1) atom to form distorted FLi3Co trigonal pyramids that share  a cornercorner with one F(2)Li3Co trigonal pyramid,  a cornercorner with one F(5)Li3Co trigonal pyramid,  a cornercorner with one F(6)Li3Co trigonal pyramid,  a cornercorner with one F(7)Li3Co trigonal pyramid, corners with three equivalent F(10)Li3Co trigonal pyramids, corners with three equivalent F(4)Li3Co trigonal pyramids,  an edgeedge with one F(6)Li3Co trigonal pyramid, and  an edgeedge with one F(9)Li4 trigonal pyramid. In the fourth F site, F(4) is bonded to one Li(2), one Li(4), one Li(5), and one Co(1) atom to form distorted FLi3Co trigonal pyramids that share  a cornercorner with one F(8)Li3Co trigonal pyramid,  a cornercorner with one F(9)Li4 trigonal pyramid, corners with two equivalent F(10)Li3Co trigonal pyramids, corners with two equivalent F(2)Li3Co trigonal pyramids, corners with three equivalent F(3)Li3Co trigonal pyramids,  an edgeedge with one F(9)Li4 trigonal pyramid, and edges with two equivalent F(6)Li3Co trigonal pyramids. In the fifth F site, F(5) is bonded to one Li(1), one Li(3), one Li(6), and one Co(2) atom to form distorted FLi3Co trigonal pyramids that share  a cornercorner with one F(3)Li3Co trigonal pyramid,  a cornercorner with one F(9)Li4 trigonal pyramid, corners with two equivalent F(2)Li3Co trigonal pyramids, corners with three equivalent F(8)Li3Co trigonal pyramids,  an edgeedge with one F(10)Li3Co trigonal pyramid, and edges with two equivalent F(7)Li3Co trigonal pyramids. In the sixth F site, F(6) is bonded to one Li(2), one Li(4), one Li(5), and one Co(1) atom to form distorted FLi3Co trigonal pyramids that share  a cornercorner with one F(3)Li3Co trigonal pyramid,  a cornercorner with one F(8)Li3Co trigonal pyramid, corners with two equivalent F(10)Li3Co trigonal pyramids, corners with two equivalent F(2)Li3Co trigonal pyramids, corners with three equivalent F(9)Li4 trigonal pyramids,  an edgeedge with one F(3)Li3Co trigonal pyramid, and edges with two equivalent F(4)Li3Co trigonal pyramids. In the seventh F site, F(7) is bonded to one Li(1), one Li(3), one Li(6), and one Co(2) atom to form distorted FLi3Co trigonal pyramids that share  a cornercorner with one F(3)Li3Co trigonal pyramid,  a cornercorner with one F(8)Li3Co trigonal pyramid,  a cornercorner with one F(9)Li4 trigonal pyramid, corners with two equivalent F(10)Li3Co trigonal pyramids,  an edgeedge with one F(2)Li3Co trigonal pyramid,  an edgeedge with one F(8)Li3Co trigonal pyramid, and edges with two equivalent F(5)Li3Co trigonal pyramids. In the eighth F site, F(8) is bonded to one Li(1), one Li(4), one Li(6), and one Co(2) atom to form distorted FLi3Co trigonal pyramids that share  a cornercorner with one F(10)Li3Co trigonal pyramid,  a cornercorner with one F(2)Li3Co trigonal pyramid,  a cornercorner with one F(4)Li3Co trigonal pyramid,  a cornercorner with one F(6)Li3Co trigonal pyramid,  a cornercorner with one F(7)Li3Co trigonal pyramid, corners with three equivalent F(5)Li3Co trigonal pyramids,  an edgeedge with one F(2)Li3Co trigonal pyramid,  an edgeedge with one F(7)Li3Co trigonal pyramid, and  an edgeedge with one F(9)Li4 trigonal pyramid. In the ninth F site, F(9) is bonded to one Li(2), one Li(4), one Li(5), and one Li(6) atom to form a mixture of distorted corner and edge-sharing FLi4 trigonal pyramids. In the tenth F site, F(10) is bonded to one Li(1), one Li(3), one Li(5), and one Co(1) atom to form distorted FLi3Co trigonal pyramids that share  a cornercorner with one F(8)Li3Co trigonal pyramid,  a cornercorner with one F(9)Li4 trigonal pyramid, corners with two equivalent F(4)Li3Co trigonal pyramids, corners with two equivalent F(6)Li3Co trigonal pyramids, corners with two equivalent F(7)Li3Co trigonal pyramids, corners with three equivalent F(3)Li3Co trigonal pyramids, and  an edgeedge with one F(5)Li3Co trigonal pyramid. In the eleventh F site, F(11) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one Li(6), and one Co(2) atom.
Li6Co2OF11 is Ilmenite-derived structured and crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one F(1), one F(10), one F(5), one F(7), and one F(8) atom. The Li(1)-O(1) bond length is 2.50 Å. The Li(1)-F(1) bond length is 1.96 Å. The Li(1)-F(10) bond length is 2.05 Å. The Li(1)-F(5) bond length is 2.13 Å. The Li(1)-F(7) bond length is 1.92 Å. The Li(1)-F(8) bond length is 1.94 Å. In the second Li site, Li(2) is bonded to one F(11), one F(2), one F(3), one F(4), one F(6), and one F(9) atom to form distorted LiF6 octahedra that share corners with two equivalent Li(4)F6 octahedra, corners with three equivalent Co(1)OF5 octahedra, corners with three equivalent Li(6)F6 pentagonal pyramids,  an edgeedge with one Co(2)OF5 octahedra, and  a faceface with one Li(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-66°. The Li(2)-F(11) bond length is 2.20 Å. The Li(2)-F(2) bond length is 2.01 Å. The Li(2)-F(3) bond length is 2.00 Å. The Li(2)-F(4) bond length is 2.27 Å. The Li(2)-F(6) bond length is 2.16 Å. The Li(2)-F(9) bond length is 1.95 Å. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(1), one F(1), one F(10), one F(3), one F(5), and one F(7) atom. The Li(3)-O(1) bond length is 2.42 Å. The Li(3)-F(1) bond length is 1.94 Å. The Li(3)-F(10) bond length is 2.14 Å. The Li(3)-F(3) bond length is 1.94 Å. The Li(3)-F(5) bond length is 2.03 Å. The Li(3)-F(7) bond length is 1.96 Å. In the fourth Li site, Li(4) is bonded to one F(11), one F(2), one F(4), one F(6), one F(8), and one F(9) atom to form distorted LiF6 octahedra that share corners with two equivalent Li(2)F6 octahedra, corners with three equivalent Co(2)OF5 octahedra,  an edgeedge with one Co(1)OF5 octahedra, edges with two equivalent Li(6)F6 pentagonal pyramids, and  a faceface with one Li(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-66°. The Li(4)-F(11) bond length is 2.31 Å. The Li(4)-F(2) bond length is 2.07 Å. The Li(4)-F(4) bond length is 2.19 Å. The Li(4)-F(6) bond length is 2.02 Å. The Li(4)-F(8) bond length is 1.97 Å. The Li(4)-F(9) bond length is 1.98 Å. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one F(1), one F(10), one F(3), one F(4), one F(6), and one F(9) atom. The Li(5)-F(1) bond length is 2.16 Å. The Li(5)-F(10) bond length is 2.00 Å. The Li(5)-F(3) bond length is 2.28 Å. The Li(5)-F(4) bond length is 2.02 Å. The Li(5)-F(6) bond length is 2.15 Å. The Li(5)-F(9) bond length is 1.87 Å. In the sixth Li site, Li(6) is bonded to one F(11), one F(2), one F(5), one F(7), one F(8), and one F(9) atom to form distorted LiF6 pentagonal pyramids that share corners with two equivalent Co(2)OF5 octahedra, corners with three equivalent Li(2)F6 octahedra, edges with two equivalent Li(4)F6 octahedra, and  a faceface with one Co(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 47-59°. The Li(6)-F(11) bond length is 2.02 Å. The Li(6)-F(2) bond length is 2.17 Å. The Li(6)-F(5) bond length is 1.99 Å. The Li(6)-F(7) bond length is 2.15 Å. The Li(6)-F(8) bond length is 2.27 Å. The Li(6)-F(9) bond length is 1.86 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one F(1), one F(10), one F(3), one F(4), and one F(6) atom to form CoOF5 octahedra that share  a cornercorner with one Co(2)OF5 octahedra, corners with three equivalent Li(2)F6 octahedra, and  an edgeedge with one Li(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 44-51°. The Co(1)-O(1) bond length is 1.74 Å. The Co(1)-F(1) bond length is 1.96 Å. The Co(1)-F(10) bond length is 1.93 Å. The Co(1)-F(3) bond length is 1.92 Å. The Co(1)-F(4) bond length is 1.89 Å. The Co(1)-F(6) bond length is 1.92 Å. In the second Co site, Co(2) is bonded to one O(1), one F(11), one F(2), one F(5), one F(7), and one F(8) atom to form CoOF5 octahedra that share  a cornercorner with one Co(1)OF5 octahedra, corners with three equivalent Li(4)F6 octahedra, corners with two equivalent Li(6)F6 pentagonal pyramids,  an edgeedge with one Li(2)F6 octahedra, and  a faceface with one Li(6)F6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 44-52°. The Co(2)-O(1) bond length is 1.91 Å. The Co(2)-F(11) bond length is 1.87 Å. The Co(2)-F(2) bond length is 1.98 Å. The Co(2)-F(5) bond length is 1.95 Å. The Co(2)-F(7) bond length is 1.96 Å. The Co(2)-F(8) bond length is 1.95 Å. O(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Co(1), and one Co(2) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(3), one Li(5), and one Co(1) atom. In the second F site, F(2) is bonded to one Li(2), one Li(4), one Li(6), and one Co(2) atom to form distorted FLi3Co trigonal pyramids that share  a cornercorner with one F(3)Li3Co trigonal pyramid,  a cornercorner with one F(8)Li3Co trigonal pyramid, corners with two equivalent F(4)Li3Co trigonal pyramids, corners with two equivalent F(5)Li3Co trigonal pyramids, corners with two equivalent F(6)Li3Co trigonal pyramids, corners with three equivalent F(9)Li4 trigonal pyramids,  an edgeedge with one F(7)Li3Co trigonal pyramid, and  an edgeedge with one F(8)Li3Co trigonal pyramid. In the third F site, F(3) is bonded to one Li(2), one Li(3), one Li(5), and one Co(1) atom to form distorted FLi3Co trigonal pyramids that share  a cornercorner with one F(2)Li3Co trigonal pyramid,  a cornercorner with one F(5)Li3Co trigonal pyramid,  a cornercorner with one F(6)Li3Co trigonal pyramid,  a cornercorner with one F(7)Li3Co trigonal pyramid, corners with three equivalent F(10)Li3Co trigonal pyramids, corners with three equivalent F(4)Li3Co trigonal pyramids,  an edgeedge with one F(6)Li3Co trigonal pyramid, and  an edgeedge with one F(9)Li4 trigonal pyramid. In the fourth F site, F(4) is bonded to one Li(2), one Li(4), one Li(5), and one Co(1) atom to form distorted FLi3Co trigonal pyramids that share  a cornercorner with one F(8)Li3Co trigonal pyramid,  a cornercorner with one F(9)Li4 trigonal pyramid, corners with two equivalent F(10)Li3Co trigonal pyramids, corners with two equivalent F(2)Li3Co trigonal pyramids, corners with three equivalent F(3)Li3Co trigonal pyramids,  an edgeedge with one F(9)Li4 trigonal pyramid, and edges with two equivalent F(6)Li3Co trigonal pyramids. In the fifth F site, F(5) is bonded to one Li(1), one Li(3), one Li(6), and one Co(2) atom to form distorted FLi3Co trigonal pyramids that share  a cornercorner with one F(3)Li3Co trigonal pyramid,  a cornercorner with one F(9)Li4 trigonal pyramid, corners with two equivalent F(2)Li3Co trigonal pyramids, corners with three equivalent F(8)Li3Co trigonal pyramids,  an edgeedge with one F(10)Li3Co trigonal pyramid, and edges with two equivalent F(7)Li3Co trigonal pyramids. In the sixth F site, F(6) is bonded to one Li(2), one Li(4), one Li(5), and one Co(1) atom to form distorted FLi3Co trigonal pyramids that share  a cornercorner with one F(3)Li3Co trigonal pyramid,  a cornercorner with one F(8)Li3Co trigonal pyramid, corners with two equivalent F(10)Li3Co trigonal pyramids, corners with two equivalent F(2)Li3Co trigonal pyramids, corners with three equivalent F(9)Li4 trigonal pyramids,  an edgeedge with one F(3)Li3Co trigonal pyramid, and edges with two equivalent F(4)Li3Co trigonal pyramids. In the seventh F site, F(7) is bonded to one Li(1), one Li(3), one Li(6), and one Co(2) atom to form distorted FLi3Co trigonal pyramids that share  a cornercorner with one F(3)Li3Co trigonal pyramid,  a cornercorner with one F(8)Li3Co trigonal pyramid,  a cornercorner with one F(9)Li4 trigonal pyramid, corners with two equivalent F(10)Li3Co trigonal pyramids,  an edgeedge with one F(2)Li3Co trigonal pyramid,  an edgeedge with one F(8)Li3Co trigonal pyramid, and edges with two equivalent F(5)Li3Co trigonal pyramids. In the eighth F site, F(8) is bonded to one Li(1), one Li(4), one Li(6), and one Co(2) atom to form distorted FLi3Co trigonal pyramids that share  a cornercorner with one F(10)Li3Co trigonal pyramid,  a cornercorner with one F(2)Li3Co trigonal pyramid,  a cornercorner with one F(4)Li3Co trigonal pyramid,  a cornercorner with one F(6)Li3Co trigonal pyramid,  a cornercorner with one F(7)Li3Co trigonal pyramid, corners with three equivalent F(5)Li3Co trigonal pyramids,  an edgeedge with one F(2)Li3Co trigonal pyramid,  an edgeedge with one F(7)Li3Co trigonal pyramid, and  an edgeedge with one F(9)Li4 trigonal pyramid. In the ninth F site, F(9) is bonded to one Li(2), one Li(4), one Li(5), and one Li(6) atom to form a mixture of distorted corner and edge-sharing FLi4 trigonal pyramids. In the tenth F site, F(10) is bonded to one Li(1), one Li(3), one Li(5), and one Co(1) atom to form distorted FLi3Co trigonal pyramids that share  a cornercorner with one F(8)Li3Co trigonal pyramid,  a cornercorner with one F(9)Li4 trigonal pyramid, corners with two equivalent F(4)Li3Co trigonal pyramids, corners with two equivalent F(6)Li3Co trigonal pyramids, corners with two equivalent F(7)Li3Co trigonal pyramids, corners with three equivalent F(3)Li3Co trigonal pyramids, and  an edgeedge with one F(5)Li3Co trigonal pyramid. In the eleventh F site, F(11) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one Li(6), and one Co(2) atom.