LiCu6OF11 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 5-coordinate geometry to one F(1), one F(2), one F(3), one F(4), and one F(5) atom. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one F(1), one F(10), one F(11), one F(3), and one F(9) atom to form distorted CuF5 trigonal bipyramids that share  a cornercorner with one Cu(3)OF5 octahedra, corners with two equivalent Cu(5)F6 octahedra, corners with four equivalent Cu(2)OF5 octahedra, and  an edgeedge with one Cu(6)F5 square pyramid. The corner-sharing octahedral tilt angles range from 45-68°. In the second Cu site, Cu(2) is bonded to one O(1), one F(1), one F(11), one F(3), one F(8), and one F(9) atom to form distorted CuOF5 octahedra that share corners with two equivalent Cu(3)OF5 octahedra, corners with two equivalent Cu(6)F5 square pyramids, corners with four equivalent Cu(1)F5 trigonal bipyramids, and  an edgeedge with one Cu(5)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-62°. In the third Cu site, Cu(3) is bonded to one O(1), one F(1), one F(2), one F(4), one F(5), and one F(6) atom to form distorted CuOF5 octahedra that share corners with two equivalent Cu(5)F6 octahedra, corners with two equivalent Cu(2)OF5 octahedra,  a cornercorner with one Cu(6)F5 square pyramid, and  a cornercorner with one Cu(1)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 41-62°. In the fourth Cu site, Cu(4) is bonded in a 4-coordinate geometry to one O(1), one F(2), one F(5), one F(6), and one F(7) atom. In the fifth Cu site, Cu(5) is bonded to one F(10), one F(4), one F(6), one F(7), one F(8), and one F(9) atom to form distorted CuF6 octahedra that share corners with two equivalent Cu(3)OF5 octahedra, corners with four equivalent Cu(6)F5 square pyramids, corners with two equivalent Cu(1)F5 trigonal bipyramids, and  an edgeedge with one Cu(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 41-56°. In the sixth Cu site, Cu(6) is bonded to one F(10), one F(11), one F(6), one F(7), and one F(8) atom to form distorted CuF5 square pyramids that share  a cornercorner with one Cu(3)OF5 octahedra, corners with two equivalent Cu(2)OF5 octahedra, corners with four equivalent Cu(5)F6 octahedra, and  an edgeedge with one Cu(1)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 43-71°. O(1) is bonded in a distorted trigonal planar geometry to one Cu(2), one Cu(3), and one Cu(4) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Li(1), one Cu(1), one Cu(2), and one Cu(3) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Li(1), one Cu(3), and one Cu(4) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one Cu(2) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Li(1), one Cu(3), and one Cu(5) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(3), and one Cu(4) atom. In the sixth F site, F(6) is bonded in a 4-coordinate geometry to one Cu(3), one Cu(4), one Cu(5), and one Cu(6) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Cu(4), one Cu(5), and one Cu(6) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Cu(2), one Cu(5), and one Cu(6) atom. In the ninth F site, F(9) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one Cu(5) atom. In the tenth F site, F(10) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(5), and one Cu(6) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), and one Cu(6) atom.
LiCu6OF11 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 5-coordinate geometry to one F(1), one F(2), one F(3), one F(4), and one F(5) atom. The Li(1)-F(1) bond length is 2.25 Å. The Li(1)-F(2) bond length is 1.98 Å. The Li(1)-F(3) bond length is 1.89 Å. The Li(1)-F(4) bond length is 1.94 Å. The Li(1)-F(5) bond length is 1.96 Å. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one F(1), one F(10), one F(11), one F(3), and one F(9) atom to form distorted CuF5 trigonal bipyramids that share  a cornercorner with one Cu(3)OF5 octahedra, corners with two equivalent Cu(5)F6 octahedra, corners with four equivalent Cu(2)OF5 octahedra, and  an edgeedge with one Cu(6)F5 square pyramid. The corner-sharing octahedral tilt angles range from 45-68°. The Cu(1)-F(1) bond length is 1.96 Å. The Cu(1)-F(10) bond length is 2.34 Å. The Cu(1)-F(11) bond length is 1.93 Å. The Cu(1)-F(3) bond length is 1.90 Å. The Cu(1)-F(9) bond length is 1.91 Å. In the second Cu site, Cu(2) is bonded to one O(1), one F(1), one F(11), one F(3), one F(8), and one F(9) atom to form distorted CuOF5 octahedra that share corners with two equivalent Cu(3)OF5 octahedra, corners with two equivalent Cu(6)F5 square pyramids, corners with four equivalent Cu(1)F5 trigonal bipyramids, and  an edgeedge with one Cu(5)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-62°. The Cu(2)-O(1) bond length is 1.86 Å. The Cu(2)-F(1) bond length is 1.98 Å. The Cu(2)-F(11) bond length is 1.96 Å. The Cu(2)-F(3) bond length is 2.31 Å. The Cu(2)-F(8) bond length is 1.98 Å. The Cu(2)-F(9) bond length is 2.51 Å. In the third Cu site, Cu(3) is bonded to one O(1), one F(1), one F(2), one F(4), one F(5), and one F(6) atom to form distorted CuOF5 octahedra that share corners with two equivalent Cu(5)F6 octahedra, corners with two equivalent Cu(2)OF5 octahedra,  a cornercorner with one Cu(6)F5 square pyramid, and  a cornercorner with one Cu(1)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 41-62°. The Cu(3)-O(1) bond length is 1.85 Å. The Cu(3)-F(1) bond length is 2.37 Å. The Cu(3)-F(2) bond length is 1.99 Å. The Cu(3)-F(4) bond length is 1.98 Å. The Cu(3)-F(5) bond length is 2.01 Å. The Cu(3)-F(6) bond length is 2.48 Å. In the fourth Cu site, Cu(4) is bonded in a 4-coordinate geometry to one O(1), one F(2), one F(5), one F(6), and one F(7) atom. The Cu(4)-O(1) bond length is 1.82 Å. The Cu(4)-F(2) bond length is 2.08 Å. The Cu(4)-F(5) bond length is 2.07 Å. The Cu(4)-F(6) bond length is 2.50 Å. The Cu(4)-F(7) bond length is 1.92 Å. In the fifth Cu site, Cu(5) is bonded to one F(10), one F(4), one F(6), one F(7), one F(8), and one F(9) atom to form distorted CuF6 octahedra that share corners with two equivalent Cu(3)OF5 octahedra, corners with four equivalent Cu(6)F5 square pyramids, corners with two equivalent Cu(1)F5 trigonal bipyramids, and  an edgeedge with one Cu(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 41-56°. The Cu(5)-F(10) bond length is 1.90 Å. The Cu(5)-F(4) bond length is 1.97 Å. The Cu(5)-F(6) bond length is 1.94 Å. The Cu(5)-F(7) bond length is 2.39 Å. The Cu(5)-F(8) bond length is 2.48 Å. The Cu(5)-F(9) bond length is 1.95 Å. In the sixth Cu site, Cu(6) is bonded to one F(10), one F(11), one F(6), one F(7), and one F(8) atom to form distorted CuF5 square pyramids that share  a cornercorner with one Cu(3)OF5 octahedra, corners with two equivalent Cu(2)OF5 octahedra, corners with four equivalent Cu(5)F6 octahedra, and  an edgeedge with one Cu(1)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 43-71°. The Cu(6)-F(10) bond length is 1.92 Å. The Cu(6)-F(11) bond length is 2.28 Å. The Cu(6)-F(6) bond length is 1.95 Å. The Cu(6)-F(7) bond length is 1.95 Å. The Cu(6)-F(8) bond length is 1.91 Å. O(1) is bonded in a distorted trigonal planar geometry to one Cu(2), one Cu(3), and one Cu(4) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Li(1), one Cu(1), one Cu(2), and one Cu(3) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Li(1), one Cu(3), and one Cu(4) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one Cu(2) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Li(1), one Cu(3), and one Cu(5) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(3), and one Cu(4) atom. In the sixth F site, F(6) is bonded in a 4-coordinate geometry to one Cu(3), one Cu(4), one Cu(5), and one Cu(6) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Cu(4), one Cu(5), and one Cu(6) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Cu(2), one Cu(5), and one Cu(6) atom. In the ninth F site, F(9) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one Cu(5) atom. In the tenth F site, F(10) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(5), and one Cu(6) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), and one Cu(6) atom.