NdCuAl3 crystallizes in the tetragonal I4mm space group. Nd(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 Nd(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 Nd(1) and one Cu(1) atom. In the second Al site, Al(2) is bonded in a distorted bent 120 degrees geometry to four equivalent Nd(1) and two equivalent Cu(1) atoms.
NdCuAl3 crystallizes in the tetragonal I4mm space group. Nd(1) is bonded in a 16-coordinate geometry to four equivalent Cu(1), four equivalent Al(1), and eight equivalent Al(2) atoms. All Nd(1)-Cu(1) bond lengths are 3.30 Å. All Nd(1)-Al(1) bond lengths are 3.14 Å. There are four shorter (3.38 Å) and four longer (3.39 Å) Nd(1)-Al(2) bond lengths. Cu(1) is bonded in a 5-coordinate geometry to four equivalent Nd(1), one Al(1), and four equivalent Al(2) atoms. The Cu(1)-Al(1) bond length is 2.38 Å. All Cu(1)-Al(2) bond lengths are 2.44 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 Nd(1) and one Cu(1) atom. In the second Al site, Al(2) is bonded in a distorted bent 120 degrees geometry to four equivalent Nd(1) and two equivalent Cu(1) atoms.