CeCuAl3 crystallizes in the tetragonal I4mm space group. Ce(1) is bonded in a 16-coordinate geometry to four equivalent Cu(1), four equivalent Al(1), and eight equivalent Al(2) atoms. Cu(1) is bonded in a 5-coordinate geometry to four equivalent Ce(1), one Al(1), and four equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted single-bond geometry to four equivalent Ce(1), one Cu(1), and four equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a distorted bent 120 degrees geometry to four equivalent Ce(1), two equivalent Cu(1), and two equivalent Al(1) atoms.
CeCuAl3 crystallizes in the tetragonal I4mm space group. Ce(1) is bonded in a 16-coordinate geometry to four equivalent Cu(1), four equivalent Al(1), and eight equivalent Al(2) atoms. All Ce(1)-Cu(1) bond lengths are 3.31 Å. All Ce(1)-Al(1) bond lengths are 3.14 Å. There are four shorter (3.39 Å) and four longer (3.40 Å) Ce(1)-Al(2) bond lengths. Cu(1) is bonded in a 5-coordinate geometry to four equivalent Ce(1), one Al(1), and four equivalent Al(2) atoms. The Cu(1)-Al(1) bond length is 2.39 Å. All Cu(1)-Al(2) bond lengths are 2.45 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted single-bond geometry to four equivalent Ce(1), one Cu(1), and four equivalent Al(2) atoms. All Al(1)-Al(2) bond lengths are 2.70 Å. In the second Al site, Al(2) is bonded in a distorted bent 120 degrees geometry to four equivalent Ce(1), two equivalent Cu(1), and two equivalent Al(1) atoms.