LiCu6OF11 crystallizes in the triclinic P1 space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to one F(10), one F(4), one F(5), and one F(7) atom. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one F(1), one F(11), one F(2), one F(3), and one F(9) atom. 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)OF4 square pyramids,  an edgeedge with one Cu(5)F5 square pyramid, and  an edgeedge with one Cu(4)OF4 square pyramid. In the third Cu site, Cu(3) is bonded to one O(1), one F(1), one F(2), one F(4), and one F(5) atom to form CuOF4 square pyramids that share corners with two equivalent Cu(2)OF5 octahedra and corners with four equivalent Cu(4)OF4 square pyramids. The corner-sharing octahedral tilt angles range from 54-61°. In the fourth Cu site, Cu(4) is bonded to one O(1), one F(2), one F(3), one F(4), and one F(5) atom to form distorted CuOF4 square pyramids that share corners with four equivalent Cu(3)OF4 square pyramids and  an edgeedge with one Cu(2)OF5 octahedra. In the fifth Cu site, Cu(5) is bonded to one F(10), one F(6), one F(7), one F(8), and one F(9) atom to form distorted edge-sharing CuF5 square pyramids. In the sixth Cu site, Cu(6) is bonded in a 5-coordinate geometry to one F(10), one F(11), one F(6), one F(7), and one F(8) atom. O(1) is bonded in a 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 distorted trigonal planar geometry to one Cu(1), one Cu(2), and one Cu(3) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Cu(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 Cu(1), one Cu(2), and one Cu(4) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Li(1), one Cu(3), and one Cu(4) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Li(1), one Cu(3), and one Cu(4) atom. In the sixth F site, F(6) is bonded in a bent 120 degrees geometry to 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 Li(1), one Cu(5), and one Cu(6) atom. In the eighth F site, F(8) is bonded in a 3-coordinate geometry to one Cu(2), one Cu(5), and one Cu(6) atom. In the ninth F site, F(9) is bonded in a trigonal planar 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 Li(1), one Cu(5), and one Cu(6) atom. In the eleventh F site, F(11) is bonded in a 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 distorted rectangular see-saw-like geometry to one F(10), one F(4), one F(5), and one F(7) atom. The Li(1)-F(10) bond length is 1.89 Å. The Li(1)-F(4) bond length is 1.87 Å. The Li(1)-F(5) bond length is 1.86 Å. The Li(1)-F(7) bond length is 2.07 Å. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one F(1), one F(11), one F(2), one F(3), and one F(9) atom. The Cu(1)-F(1) bond length is 1.90 Å. The Cu(1)-F(11) bond length is 1.93 Å. The Cu(1)-F(2) bond length is 2.47 Å. The Cu(1)-F(3) bond length is 1.87 Å. The Cu(1)-F(9) bond length is 1.89 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)OF4 square pyramids,  an edgeedge with one Cu(5)F5 square pyramid, and  an edgeedge with one Cu(4)OF4 square pyramid. The Cu(2)-O(1) bond length is 1.93 Å. The Cu(2)-F(1) bond length is 2.02 Å. The Cu(2)-F(11) bond length is 2.09 Å. The Cu(2)-F(3) bond length is 1.96 Å. The Cu(2)-F(8) bond length is 2.47 Å. The Cu(2)-F(9) bond length is 1.98 Å. In the third Cu site, Cu(3) is bonded to one O(1), one F(1), one F(2), one F(4), and one F(5) atom to form CuOF4 square pyramids that share corners with two equivalent Cu(2)OF5 octahedra and corners with four equivalent Cu(4)OF4 square pyramids. The corner-sharing octahedral tilt angles range from 54-61°. 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 1.93 Å. The Cu(3)-F(4) bond length is 1.99 Å. The Cu(3)-F(5) bond length is 1.95 Å. In the fourth Cu site, Cu(4) is bonded to one O(1), one F(2), one F(3), one F(4), and one F(5) atom to form distorted CuOF4 square pyramids that share corners with four equivalent Cu(3)OF4 square pyramids and  an edgeedge with one Cu(2)OF5 octahedra. The Cu(4)-O(1) bond length is 1.86 Å. The Cu(4)-F(2) bond length is 1.94 Å. The Cu(4)-F(3) bond length is 2.25 Å. The Cu(4)-F(4) bond length is 2.04 Å. The Cu(4)-F(5) bond length is 2.05 Å. In the fifth Cu site, Cu(5) is bonded to one F(10), one F(6), one F(7), one F(8), and one F(9) atom to form distorted edge-sharing CuF5 square pyramids. The Cu(5)-F(10) bond length is 1.99 Å. The Cu(5)-F(6) bond length is 1.94 Å. The Cu(5)-F(7) bond length is 2.00 Å. The Cu(5)-F(8) bond length is 1.98 Å. The Cu(5)-F(9) bond length is 2.24 Å. In the sixth Cu site, Cu(6) is bonded in a 5-coordinate geometry to one F(10), one F(11), one F(6), one F(7), and one F(8) atom. The Cu(6)-F(10) bond length is 2.13 Å. The Cu(6)-F(11) bond length is 2.07 Å. The Cu(6)-F(6) bond length is 1.93 Å. The Cu(6)-F(7) bond length is 2.01 Å. The Cu(6)-F(8) bond length is 1.96 Å. O(1) is bonded in a 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 distorted trigonal planar geometry to one Cu(1), one Cu(2), and one Cu(3) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Cu(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 Cu(1), one Cu(2), and one Cu(4) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Li(1), one Cu(3), and one Cu(4) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Li(1), one Cu(3), and one Cu(4) atom. In the sixth F site, F(6) is bonded in a bent 120 degrees geometry to 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 Li(1), one Cu(5), and one Cu(6) atom. In the eighth F site, F(8) is bonded in a 3-coordinate geometry to one Cu(2), one Cu(5), and one Cu(6) atom. In the ninth F site, F(9) is bonded in a trigonal planar 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 Li(1), one Cu(5), and one Cu(6) atom. In the eleventh F site, F(11) is bonded in a trigonal planar geometry to one Cu(1), one Cu(2), and one Cu(6) atom.