LiCu6OF11 crystallizes in the triclinic P1 space group. Li(1) is bonded to one F(10), one F(11), one F(3), one F(7), one F(8), and one F(9) atom to form distorted LiF6 octahedra that share  a cornercorner with one Cu(5)F6 octahedra, corners with two equivalent Cu(4)OF5 octahedra, edges with two equivalent Cu(6)F6 octahedra, and  a faceface with one Cu(5)F6 octahedra. The corner-sharing octahedral tilt angles range from 44-49°. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to one F(1), one F(10), one F(11), one F(2), one F(3), and one F(9) atom. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one O(1), one F(1), one F(11), one F(3), and one F(9) atom. 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 CuOF5 octahedra that share corners with two equivalent Cu(5)F6 octahedra, corners with four equivalent Cu(4)OF5 octahedra, and  an edgeedge with one Cu(6)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-59°. In the fourth Cu site, Cu(4) is bonded to one O(1), one F(2), one F(3), one F(4), one F(5), and one F(7) atom to form distorted CuOF5 octahedra that share corners with two equivalent Li(1)F6 octahedra, corners with two equivalent Cu(6)F6 octahedra, corners with four equivalent Cu(3)OF5 octahedra, and  an edgeedge with one Cu(5)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-65°. 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  a cornercorner with one Li(1)F6 octahedra, corners with two equivalent Cu(3)OF5 octahedra, corners with four equivalent Cu(6)F6 octahedra,  an edgeedge with one Cu(4)OF5 octahedra, and  a faceface with one Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 35-59°. In the sixth Cu site, Cu(6) is bonded to one F(10), one F(11), one F(5), one F(6), one F(7), and one F(8) atom to form distorted CuF6 octahedra that share corners with two equivalent Cu(4)OF5 octahedra, corners with four equivalent Cu(5)F6 octahedra,  an edgeedge with one Cu(3)OF5 octahedra, and edges with two equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 35-65°. 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 distorted trigonal planar geometry to one Cu(1), one Cu(3), and one Cu(4) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Li(1), one Cu(1), one Cu(2), and one Cu(4) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Cu(3), one Cu(4), and one Cu(5) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Cu(3), one Cu(4), and one Cu(6) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Cu(3), one Cu(5), and one Cu(6) atom. In the seventh F site, F(7) is bonded in a 4-coordinate geometry to one Li(1), 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 Li(1), one Cu(5), and one Cu(6) atom. In the ninth F site, F(9) is bonded in a 4-coordinate geometry to one Li(1), 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(1), one Cu(5), and one Cu(6) atom. In the eleventh F site, F(11) is bonded in a 4-coordinate geometry to one Li(1), one Cu(1), one Cu(2), and one Cu(6) atom.
LiCu6OF11 crystallizes in the triclinic P1 space group. Li(1) is bonded to one F(10), one F(11), one F(3), one F(7), one F(8), and one F(9) atom to form distorted LiF6 octahedra that share  a cornercorner with one Cu(5)F6 octahedra, corners with two equivalent Cu(4)OF5 octahedra, edges with two equivalent Cu(6)F6 octahedra, and  a faceface with one Cu(5)F6 octahedra. The corner-sharing octahedral tilt angles range from 44-49°. The Li(1)-F(10) bond length is 1.95 Å. The Li(1)-F(11) bond length is 1.87 Å. The Li(1)-F(3) bond length is 1.95 Å. The Li(1)-F(7) bond length is 2.35 Å. The Li(1)-F(8) bond length is 2.02 Å. The Li(1)-F(9) bond length is 2.09 Å. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to one F(1), one F(10), one F(11), one F(2), one F(3), and one F(9) atom. The Cu(1)-F(1) bond length is 1.94 Å. The Cu(1)-F(10) bond length is 2.54 Å. The Cu(1)-F(11) bond length is 1.95 Å. The Cu(1)-F(2) bond length is 2.39 Å. The Cu(1)-F(3) bond length is 1.89 Å. The Cu(1)-F(9) bond length is 1.97 Å. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one O(1), one F(1), one F(11), one F(3), and one F(9) atom. The Cu(2)-O(1) bond length is 1.83 Å. The Cu(2)-F(1) bond length is 2.01 Å. The Cu(2)-F(11) bond length is 2.19 Å. The Cu(2)-F(3) bond length is 2.30 Å. The Cu(2)-F(9) bond length is 2.00 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 CuOF5 octahedra that share corners with two equivalent Cu(5)F6 octahedra, corners with four equivalent Cu(4)OF5 octahedra, and  an edgeedge with one Cu(6)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-59°. The Cu(3)-O(1) bond length is 1.88 Å. The Cu(3)-F(1) bond length is 2.36 Å. The Cu(3)-F(2) bond length is 1.96 Å. The Cu(3)-F(4) bond length is 2.00 Å. The Cu(3)-F(5) bond length is 1.94 Å. The Cu(3)-F(6) bond length is 2.34 Å. In the fourth Cu site, Cu(4) is bonded to one O(1), one F(2), one F(3), one F(4), one F(5), and one F(7) atom to form distorted CuOF5 octahedra that share corners with two equivalent Li(1)F6 octahedra, corners with two equivalent Cu(6)F6 octahedra, corners with four equivalent Cu(3)OF5 octahedra, and  an edgeedge with one Cu(5)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-65°. The Cu(4)-O(1) bond length is 1.86 Å. The Cu(4)-F(2) bond length is 1.95 Å. The Cu(4)-F(3) bond length is 2.49 Å. The Cu(4)-F(4) bond length is 2.00 Å. The Cu(4)-F(5) bond length is 1.95 Å. The Cu(4)-F(7) bond length is 2.55 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  a cornercorner with one Li(1)F6 octahedra, corners with two equivalent Cu(3)OF5 octahedra, corners with four equivalent Cu(6)F6 octahedra,  an edgeedge with one Cu(4)OF5 octahedra, and  a faceface with one Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 35-59°. The Cu(5)-F(10) bond length is 1.99 Å. The Cu(5)-F(4) bond length is 2.28 Å. The Cu(5)-F(6) bond length is 1.93 Å. The Cu(5)-F(7) bond length is 1.96 Å. The Cu(5)-F(8) bond length is 1.93 Å. The Cu(5)-F(9) bond length is 2.45 Å. In the sixth Cu site, Cu(6) is bonded to one F(10), one F(11), one F(5), one F(6), one F(7), and one F(8) atom to form distorted CuF6 octahedra that share corners with two equivalent Cu(4)OF5 octahedra, corners with four equivalent Cu(5)F6 octahedra,  an edgeedge with one Cu(3)OF5 octahedra, and edges with two equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 35-65°. The Cu(6)-F(10) bond length is 1.96 Å. The Cu(6)-F(11) bond length is 2.50 Å. The Cu(6)-F(5) bond length is 2.32 Å. The Cu(6)-F(6) bond length is 1.93 Å. The Cu(6)-F(7) bond length is 1.92 Å. The Cu(6)-F(8) bond length is 1.94 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 distorted trigonal planar geometry to one Cu(1), one Cu(3), and one Cu(4) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Li(1), one Cu(1), one Cu(2), and one Cu(4) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Cu(3), one Cu(4), and one Cu(5) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Cu(3), one Cu(4), and one Cu(6) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Cu(3), one Cu(5), and one Cu(6) atom. In the seventh F site, F(7) is bonded in a 4-coordinate geometry to one Li(1), 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 Li(1), one Cu(5), and one Cu(6) atom. In the ninth F site, F(9) is bonded in a 4-coordinate geometry to one Li(1), 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(1), one Cu(5), and one Cu(6) atom. In the eleventh F site, F(11) is bonded in a 4-coordinate geometry to one Li(1), one Cu(1), one Cu(2), and one Cu(6) atom.