Cu3(OF)2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent F(1) atoms. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to three equivalent O(1) and two equivalent F(1) atoms. O(1) is bonded to one Cu(1) and three equivalent Cu(2) atoms to form a mixture of corner and edge-sharing OCu4 trigonal pyramids. F(1) is bonded in a 3-coordinate geometry to one Cu(1) and two equivalent Cu(2) atoms.
Cu3(OF)2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent F(1) atoms. Both Cu(1)-O(1) bond lengths are 1.89 Å. Both Cu(1)-F(1) bond lengths are 1.97 Å. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to three equivalent O(1) and two equivalent F(1) atoms. There are a spread of Cu(2)-O(1) bond distances ranging from 1.90-1.97 Å. There is one shorter (2.15 Å) and one longer (2.30 Å) Cu(2)-F(1) bond length. O(1) is bonded to one Cu(1) and three equivalent Cu(2) atoms to form a mixture of corner and edge-sharing OCu4 trigonal pyramids. F(1) is bonded in a 3-coordinate geometry to one Cu(1) and two equivalent Cu(2) atoms.