LaCuAl3 crystallizes in the tetragonal I4mm space group. La(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 La(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 La(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 La(1), two equivalent Cu(1), and two equivalent Al(1) atoms.
LaCuAl3 crystallizes in the tetragonal I4mm space group. La(1) is bonded in a 16-coordinate geometry to four equivalent Cu(1), four equivalent Al(1), and eight equivalent Al(2) atoms. All La(1)-Cu(1) bond lengths are 3.35 Å. All La(1)-Al(1) bond lengths are 3.19 Å. There are four shorter (3.41 Å) and four longer (3.42 Å) La(1)-Al(2) bond lengths. Cu(1) is bonded in a 5-coordinate geometry to four equivalent La(1), one Al(1), and four equivalent Al(2) atoms. The Cu(1)-Al(1) bond length is 2.43 Å. All Cu(1)-Al(2) bond lengths are 2.47 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 La(1), one Cu(1), and four equivalent Al(2) atoms. All Al(1)-Al(2) bond lengths are 2.71 Å. In the second Al site, Al(2) is bonded in a distorted bent 120 degrees geometry to four equivalent La(1), two equivalent Cu(1), and two equivalent Al(1) atoms.