CuO2F crystallizes in the orthorhombic Imm2 space group. Cu(1) is bonded to one O(1), two equivalent O(2), and three equivalent F(1) atoms to form a mixture of corner and edge-sharing CuO3F3 octahedra. The corner-sharing octahedral tilt angles are 50°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cu(1) and one O(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one O(2) atom. F(1) is bonded in a distorted trigonal planar geometry to three equivalent Cu(1) atoms.
CuO2F crystallizes in the orthorhombic Imm2 space group. Cu(1) is bonded to one O(1), two equivalent O(2), and three equivalent F(1) atoms to form a mixture of corner and edge-sharing CuO3F3 octahedra. The corner-sharing octahedral tilt angles are 50°. The Cu(1)-O(1) bond length is 1.95 Å. Both Cu(1)-O(2) bond lengths are 2.06 Å. There is one shorter (2.05 Å) and two longer (2.10 Å) Cu(1)-F(1) bond lengths. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cu(1) and one O(1) atom. The O(1)-O(1) bond length is 1.28 Å. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one O(2) atom. The O(2)-O(2) bond length is 1.34 Å. F(1) is bonded in a distorted trigonal planar geometry to three equivalent Cu(1) atoms.