Cu3P crystallizes in the trigonal P-3c1 space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 12-coordinate geometry to one Cu(3), three equivalent Cu(2), four equivalent Cu(1), and four equivalent P(1) atoms. In the second Cu site, Cu(3) is bonded to six equivalent Cu(1) and six equivalent P(1) atoms to form face-sharing CuCu6P6 cuboctahedra. In the third Cu site, Cu(2) is bonded in a 3-coordinate geometry to nine equivalent Cu(1) and three equivalent P(1) atoms. P(1) is bonded in a 12-coordinate geometry to two equivalent Cu(2), two equivalent Cu(3), and eight equivalent Cu(1) atoms.
Cu3P crystallizes in the trigonal P-3c1 space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 12-coordinate geometry to one Cu(3), three equivalent Cu(2), four equivalent Cu(1), and four equivalent P(1) atoms. The Cu(1)-Cu(3) bond length is 2.54 Å. There are a spread of Cu(1)-Cu(2) bond distances ranging from 2.60-2.71 Å. There are a spread of Cu(1)-Cu(1) bond distances ranging from 2.50-2.72 Å. There are a spread of Cu(1)-P(1) bond distances ranging from 2.36-2.95 Å. In the second Cu site, Cu(3) is bonded to six equivalent Cu(1) and six equivalent P(1) atoms to form face-sharing CuCu6P6 cuboctahedra. All Cu(3)-P(1) bond lengths are 2.85 Å. In the third Cu site, Cu(2) is bonded in a 3-coordinate geometry to nine equivalent Cu(1) and three equivalent P(1) atoms. All Cu(2)-P(1) bond lengths are 2.43 Å. P(1) is bonded in a 12-coordinate geometry to two equivalent Cu(2), two equivalent Cu(3), and eight equivalent Cu(1) atoms.