CuAl crystallizes in the triclinic P-1 space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 10-coordinate geometry to two equivalent Cu(2), two equivalent Cu(3), two equivalent Al(2), and four equivalent Al(3) atoms. In the second Cu site, Cu(2) is bonded in a 11-coordinate geometry to one Cu(1), three equivalent Cu(3), one Al(1), three equivalent Al(2), and three equivalent Al(3) atoms. In the third Cu site, Cu(3) is bonded in a 11-coordinate geometry to one Cu(1), three equivalent Cu(2), two equivalent Al(1), two equivalent Al(2), and three equivalent Al(3) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 6-coordinate geometry to two equivalent Cu(2) and four equivalent Cu(3) atoms. In the second Al site, Al(2) is bonded in a 6-coordinate geometry to one Cu(1), two equivalent Cu(3), and three equivalent Cu(2) atoms. In the third Al site, Al(3) is bonded in a 8-coordinate geometry to two equivalent Cu(1), three equivalent Cu(2), and three equivalent Cu(3) atoms.
CuAl crystallizes in the triclinic P-1 space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 10-coordinate geometry to two equivalent Cu(2), two equivalent Cu(3), two equivalent Al(2), and four equivalent Al(3) atoms. Both Cu(1)-Cu(2) bond lengths are 2.55 Å. Both Cu(1)-Cu(3) bond lengths are 2.54 Å. Both Cu(1)-Al(2) bond lengths are 2.58 Å. All Cu(1)-Al(3) bond lengths are 2.49 Å. In the second Cu site, Cu(2) is bonded in a 11-coordinate geometry to one Cu(1), three equivalent Cu(3), one Al(1), three equivalent Al(2), and three equivalent Al(3) atoms. There are two shorter (2.61 Å) and one longer (2.63 Å) Cu(2)-Cu(3) bond length. The Cu(2)-Al(1) bond length is 2.38 Å. There is one shorter (2.43 Å) and two longer (2.63 Å) Cu(2)-Al(2) bond lengths. There are a spread of Cu(2)-Al(3) bond distances ranging from 2.51-2.76 Å. In the third Cu site, Cu(3) is bonded in a 11-coordinate geometry to one Cu(1), three equivalent Cu(2), two equivalent Al(1), two equivalent Al(2), and three equivalent Al(3) atoms. Both Cu(3)-Al(1) bond lengths are 2.55 Å. There is one shorter (2.49 Å) and one longer (2.61 Å) Cu(3)-Al(2) bond length. There are a spread of Cu(3)-Al(3) bond distances ranging from 2.52-2.66 Å. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 6-coordinate geometry to two equivalent Cu(2) and four equivalent Cu(3) atoms. In the second Al site, Al(2) is bonded in a 6-coordinate geometry to one Cu(1), two equivalent Cu(3), and three equivalent Cu(2) atoms. In the third Al site, Al(3) is bonded in a 8-coordinate geometry to two equivalent Cu(1), three equivalent Cu(2), and three equivalent Cu(3) atoms.