Cu3OF5 is Hydrophilite-derived structured and crystallizes in the monoclinic Pc space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(5) atom to form a mixture of corner and edge-sharing CuOF5 octahedra. The corner-sharing octahedral tilt angles range from 39-61°. In the second Cu site, Cu(2) is bonded to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(5) atom to form a mixture of corner and edge-sharing CuOF5 octahedra. The corner-sharing octahedral tilt angles range from 39-61°. In the third Cu site, Cu(3) is bonded to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(5) atom to form a mixture of corner and edge-sharing CuOF5 octahedra. The corner-sharing octahedral tilt angles range from 41-56°. O(1) is bonded in a trigonal planar geometry to one Cu(1), one Cu(2), and one Cu(3) atom. There are five 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(2), and one Cu(3) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Cu(1), one Cu(2), and one Cu(3) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), and one Cu(3) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), and one Cu(3) atom.
Cu3OF5 is Hydrophilite-derived structured and crystallizes in the monoclinic Pc space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(5) atom to form a mixture of corner and edge-sharing CuOF5 octahedra. The corner-sharing octahedral tilt angles range from 39-61°. The Cu(1)-O(1) bond length is 1.95 Å. The Cu(1)-F(1) bond length is 1.95 Å. The Cu(1)-F(2) bond length is 2.01 Å. The Cu(1)-F(3) bond length is 2.19 Å. The Cu(1)-F(4) bond length is 2.00 Å. The Cu(1)-F(5) bond length is 1.95 Å. In the second Cu site, Cu(2) is bonded to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(5) atom to form a mixture of corner and edge-sharing CuOF5 octahedra. The corner-sharing octahedral tilt angles range from 39-61°. The Cu(2)-O(1) bond length is 1.87 Å. The Cu(2)-F(1) bond length is 1.94 Å. The Cu(2)-F(2) bond length is 1.94 Å. The Cu(2)-F(3) bond length is 1.96 Å. The Cu(2)-F(4) bond length is 2.27 Å. The Cu(2)-F(5) bond length is 2.28 Å. In the third Cu site, Cu(3) is bonded to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(5) atom to form a mixture of corner and edge-sharing CuOF5 octahedra. The corner-sharing octahedral tilt angles range from 41-56°. The Cu(3)-O(1) bond length is 1.84 Å. The Cu(3)-F(1) bond length is 2.25 Å. The Cu(3)-F(2) bond length is 2.35 Å. The Cu(3)-F(3) bond length is 1.98 Å. The Cu(3)-F(4) bond length is 1.91 Å. The Cu(3)-F(5) bond length is 1.94 Å. O(1) is bonded in a trigonal planar geometry to one Cu(1), one Cu(2), and one Cu(3) atom. There are five 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(2), and one Cu(3) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Cu(1), one Cu(2), and one Cu(3) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), and one Cu(3) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), and one Cu(3) atom.