Li4Co3OF11 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one F(2), one F(3), one F(4), one F(5), and one F(6) atom. In the second Li site, Li(2) is bonded to one F(11), one F(2), one F(4), one F(5), one F(8), and one F(9) atom to form distorted LiF6 octahedra that share corners with two equivalent Co(2)OF5 octahedra,  a cornercorner with one Co(1)OF6 pentagonal bipyramid,  an edgeedge with one Co(3)OF5 octahedra, and  an edgeedge with one Co(1)OF6 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 48-58°. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one F(10), one F(5), one F(6), one F(7), one F(8), and one F(9) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one F(1), one F(11), one F(3), one F(6), one F(8), and one F(9) atom. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one F(1), one F(10), one F(2), one F(3), one F(5), and one F(8) atom to form distorted CoOF6 pentagonal bipyramids that share  a cornercorner with one Li(2)F6 octahedra,  a cornercorner with one Co(2)OF5 octahedra,  a cornercorner with one Co(3)OF5 octahedra,  an edgeedge with one Li(2)F6 octahedra,  an edgeedge with one Co(2)OF5 octahedra, and  an edgeedge with one Co(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 36-60°. In the second Co site, Co(2) is bonded to one O(1), one F(1), one F(10), one F(11), one F(4), and one F(7) atom to form CoOF5 octahedra that share corners with two equivalent Li(2)F6 octahedra, corners with two equivalent Co(3)OF5 octahedra,  a cornercorner with one Co(1)OF6 pentagonal bipyramid, and  an edgeedge with one Co(1)OF6 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 47-58°. In the third Co site, Co(3) is bonded to one O(1), one F(2), one F(3), one F(6), one F(7), and one F(9) atom to form distorted CoOF5 octahedra that share corners with two equivalent Co(2)OF5 octahedra,  a cornercorner with one Co(1)OF6 pentagonal bipyramid,  an edgeedge with one Li(2)F6 octahedra, and  an edgeedge with one Co(1)OF6 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 47-49°. O(1) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(3) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a 2-coordinate geometry to one Li(4), one Co(1), and one Co(2) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Co(1), and one Co(3) atom. In the third F site, F(3) is bonded to one Li(1), one Li(4), one Co(1), and one Co(3) atom to form a mixture of distorted edge and corner-sharing FLi2Co2 tetrahedra. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one Co(2) atom. In the fifth F site, F(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Li(3), and one Co(1) atom. In the sixth F site, F(6) is bonded to one Li(1), one Li(3), one Li(4), and one Co(3) atom to form FLi3Co tetrahedra that share  a cornercorner with one F(3)Li2Co2 tetrahedra, corners with two equivalent F(8)Li3Co tetrahedra,  a cornercorner with one F(9)Li3Co trigonal pyramid,  an edgeedge with one F(3)Li2Co2 tetrahedra, and  an edgeedge with one F(9)Li3Co trigonal pyramid. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Li(3), one Co(2), and one Co(3) atom. In the eighth F site, F(8) is bonded to one Li(2), one Li(3), one Li(4), and one Co(1) atom to form FLi3Co tetrahedra that share corners with two equivalent F(6)Li3Co tetrahedra,  a cornercorner with one F(9)Li3Co trigonal pyramid,  an edgeedge with one F(3)Li2Co2 tetrahedra, and  an edgeedge with one F(9)Li3Co trigonal pyramid. In the ninth F site, F(9) is bonded to one Li(2), one Li(3), one Li(4), and one Co(3) atom to form distorted FLi3Co trigonal pyramids that share  a cornercorner with one F(6)Li3Co tetrahedra,  a cornercorner with one F(8)Li3Co tetrahedra, corners with two equivalent F(3)Li2Co2 tetrahedra,  an edgeedge with one F(6)Li3Co tetrahedra, and  an edgeedge with one F(8)Li3Co tetrahedra. In the tenth F site, F(10) is bonded in a 3-coordinate geometry to one Li(3), one Co(1), and one Co(2) atom. In the eleventh F site, F(11) is bonded in a trigonal planar geometry to one Li(2), one Li(4), and one Co(2) atom.
Li4Co3OF11 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one F(2), one F(3), one F(4), one F(5), and one F(6) atom. The Li(1)-F(2) bond length is 1.91 Å. The Li(1)-F(3) bond length is 2.26 Å. The Li(1)-F(4) bond length is 2.05 Å. The Li(1)-F(5) bond length is 1.97 Å. The Li(1)-F(6) bond length is 2.01 Å. In the second Li site, Li(2) is bonded to one F(11), one F(2), one F(4), one F(5), one F(8), and one F(9) atom to form distorted LiF6 octahedra that share corners with two equivalent Co(2)OF5 octahedra,  a cornercorner with one Co(1)OF6 pentagonal bipyramid,  an edgeedge with one Co(3)OF5 octahedra, and  an edgeedge with one Co(1)OF6 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 48-58°. The Li(2)-F(11) bond length is 1.96 Å. The Li(2)-F(2) bond length is 2.23 Å. The Li(2)-F(4) bond length is 2.02 Å. The Li(2)-F(5) bond length is 2.13 Å. The Li(2)-F(8) bond length is 2.01 Å. The Li(2)-F(9) bond length is 2.24 Å. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one F(10), one F(5), one F(6), one F(7), one F(8), and one F(9) atom. The Li(3)-F(10) bond length is 2.41 Å. The Li(3)-F(5) bond length is 2.06 Å. The Li(3)-F(6) bond length is 1.94 Å. The Li(3)-F(7) bond length is 2.36 Å. The Li(3)-F(8) bond length is 2.05 Å. The Li(3)-F(9) bond length is 1.92 Å. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one F(1), one F(11), one F(3), one F(6), one F(8), and one F(9) atom. The Li(4)-F(1) bond length is 2.01 Å. The Li(4)-F(11) bond length is 2.07 Å. The Li(4)-F(3) bond length is 2.34 Å. The Li(4)-F(6) bond length is 1.99 Å. The Li(4)-F(8) bond length is 2.03 Å. The Li(4)-F(9) bond length is 2.31 Å. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one F(1), one F(10), one F(2), one F(3), one F(5), and one F(8) atom to form distorted CoOF6 pentagonal bipyramids that share  a cornercorner with one Li(2)F6 octahedra,  a cornercorner with one Co(2)OF5 octahedra,  a cornercorner with one Co(3)OF5 octahedra,  an edgeedge with one Li(2)F6 octahedra,  an edgeedge with one Co(2)OF5 octahedra, and  an edgeedge with one Co(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 36-60°. The Co(1)-O(1) bond length is 1.89 Å. The Co(1)-F(1) bond length is 2.33 Å. The Co(1)-F(10) bond length is 1.97 Å. The Co(1)-F(2) bond length is 2.25 Å. The Co(1)-F(3) bond length is 2.08 Å. The Co(1)-F(5) bond length is 1.95 Å. The Co(1)-F(8) bond length is 2.02 Å. In the second Co site, Co(2) is bonded to one O(1), one F(1), one F(10), one F(11), one F(4), and one F(7) atom to form CoOF5 octahedra that share corners with two equivalent Li(2)F6 octahedra, corners with two equivalent Co(3)OF5 octahedra,  a cornercorner with one Co(1)OF6 pentagonal bipyramid, and  an edgeedge with one Co(1)OF6 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 47-58°. The Co(2)-O(1) bond length is 1.98 Å. The Co(2)-F(1) bond length is 1.95 Å. The Co(2)-F(10) bond length is 1.98 Å. The Co(2)-F(11) bond length is 1.92 Å. The Co(2)-F(4) bond length is 1.88 Å. The Co(2)-F(7) bond length is 1.99 Å. In the third Co site, Co(3) is bonded to one O(1), one F(2), one F(3), one F(6), one F(7), and one F(9) atom to form distorted CoOF5 octahedra that share corners with two equivalent Co(2)OF5 octahedra,  a cornercorner with one Co(1)OF6 pentagonal bipyramid,  an edgeedge with one Li(2)F6 octahedra, and  an edgeedge with one Co(1)OF6 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 47-49°. The Co(3)-O(1) bond length is 1.94 Å. The Co(3)-F(2) bond length is 2.01 Å. The Co(3)-F(3) bond length is 1.99 Å. The Co(3)-F(6) bond length is 2.05 Å. The Co(3)-F(7) bond length is 1.98 Å. The Co(3)-F(9) bond length is 1.86 Å. O(1) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(3) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a 2-coordinate geometry to one Li(4), one Co(1), and one Co(2) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Co(1), and one Co(3) atom. In the third F site, F(3) is bonded to one Li(1), one Li(4), one Co(1), and one Co(3) atom to form a mixture of distorted edge and corner-sharing FLi2Co2 tetrahedra. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one Co(2) atom. In the fifth F site, F(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Li(3), and one Co(1) atom. In the sixth F site, F(6) is bonded to one Li(1), one Li(3), one Li(4), and one Co(3) atom to form FLi3Co tetrahedra that share  a cornercorner with one F(3)Li2Co2 tetrahedra, corners with two equivalent F(8)Li3Co tetrahedra,  a cornercorner with one F(9)Li3Co trigonal pyramid,  an edgeedge with one F(3)Li2Co2 tetrahedra, and  an edgeedge with one F(9)Li3Co trigonal pyramid. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Li(3), one Co(2), and one Co(3) atom. In the eighth F site, F(8) is bonded to one Li(2), one Li(3), one Li(4), and one Co(1) atom to form FLi3Co tetrahedra that share corners with two equivalent F(6)Li3Co tetrahedra,  a cornercorner with one F(9)Li3Co trigonal pyramid,  an edgeedge with one F(3)Li2Co2 tetrahedra, and  an edgeedge with one F(9)Li3Co trigonal pyramid. In the ninth F site, F(9) is bonded to one Li(2), one Li(3), one Li(4), and one Co(3) atom to form distorted FLi3Co trigonal pyramids that share  a cornercorner with one F(6)Li3Co tetrahedra,  a cornercorner with one F(8)Li3Co tetrahedra, corners with two equivalent F(3)Li2Co2 tetrahedra,  an edgeedge with one F(6)Li3Co tetrahedra, and  an edgeedge with one F(8)Li3Co tetrahedra. In the tenth F site, F(10) is bonded in a 3-coordinate geometry to one Li(3), one Co(1), and one Co(2) atom. In the eleventh F site, F(11) is bonded in a trigonal planar geometry to one Li(2), one Li(4), and one Co(2) atom.