Cu2OF2 crystallizes in the triclinic P1 space group. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(1), one O(2), one F(1), and one F(4) atom. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to one O(1), one O(2), one F(1), and one F(4) atom. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to one O(1), one O(2), one F(2), and one F(3) atom. In the fourth Cu site, Cu(4) is bonded in a square co-planar geometry to one O(1), one O(2), one F(2), and one F(3) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Cu(1), one Cu(2), one Cu(3), and one Cu(4) atom to form distorted corner-sharing OCu4 tetrahedra. In the second O site, O(2) is bonded to one Cu(1), one Cu(2), one Cu(3), and one Cu(4) atom to form distorted corner-sharing OCu4 tetrahedra. There are four inequivalent F sites. In the first F site, F(1) is bonded in an L-shaped geometry to one Cu(1) and one Cu(2) atom. In the second F site, F(2) is bonded in an L-shaped geometry to one Cu(3) and one Cu(4) atom. In the third F site, F(3) is bonded in an L-shaped geometry to one Cu(3) and one Cu(4) atom. In the fourth F site, F(4) is bonded in an L-shaped geometry to one Cu(1) and one Cu(2) atom.
Cu2OF2 crystallizes in the triclinic P1 space group. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(1), one O(2), one F(1), and one F(4) atom. The Cu(1)-O(1) bond length is 1.90 Å. The Cu(1)-O(2) bond length is 1.90 Å. The Cu(1)-F(1) bond length is 1.93 Å. The Cu(1)-F(4) bond length is 1.92 Å. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to one O(1), one O(2), one F(1), and one F(4) atom. The Cu(2)-O(1) bond length is 1.92 Å. The Cu(2)-O(2) bond length is 1.92 Å. The Cu(2)-F(1) bond length is 1.98 Å. The Cu(2)-F(4) bond length is 1.97 Å. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to one O(1), one O(2), one F(2), and one F(3) atom. The Cu(3)-O(1) bond length is 1.91 Å. The Cu(3)-O(2) bond length is 1.92 Å. The Cu(3)-F(2) bond length is 1.94 Å. The Cu(3)-F(3) bond length is 1.94 Å. In the fourth Cu site, Cu(4) is bonded in a square co-planar geometry to one O(1), one O(2), one F(2), and one F(3) atom. The Cu(4)-O(1) bond length is 1.92 Å. The Cu(4)-O(2) bond length is 1.92 Å. The Cu(4)-F(2) bond length is 1.96 Å. The Cu(4)-F(3) bond length is 1.96 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Cu(1), one Cu(2), one Cu(3), and one Cu(4) atom to form distorted corner-sharing OCu4 tetrahedra. In the second O site, O(2) is bonded to one Cu(1), one Cu(2), one Cu(3), and one Cu(4) atom to form distorted corner-sharing OCu4 tetrahedra. There are four inequivalent F sites. In the first F site, F(1) is bonded in an L-shaped geometry to one Cu(1) and one Cu(2) atom. In the second F site, F(2) is bonded in an L-shaped geometry to one Cu(3) and one Cu(4) atom. In the third F site, F(3) is bonded in an L-shaped geometry to one Cu(3) and one Cu(4) atom. In the fourth F site, F(4) is bonded in an L-shaped geometry to one Cu(1) and one Cu(2) atom.