NdLaAl6 crystallizes in the hexagonal P-6m2 space group. Nd(1) is bonded in a 12-coordinate geometry to six equivalent Al(1) and six equivalent Al(2) atoms. La(1) is bonded to six equivalent Al(1) and six equivalent Al(2) atoms to form a mixture of distorted corner and face-sharing LaAl12 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to two equivalent Nd(1), two equivalent La(1), two equivalent Al(1), and four equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a 10-coordinate geometry to two equivalent Nd(1), two equivalent La(1), two equivalent Al(2), and four equivalent Al(1) atoms.
NdLaAl6 crystallizes in the hexagonal P-6m2 space group. Nd(1) is bonded in a 12-coordinate geometry to six equivalent Al(1) and six equivalent Al(2) atoms. All Nd(1)-Al(1) bond lengths are 3.21 Å. All Nd(1)-Al(2) bond lengths are 3.32 Å. La(1) is bonded to six equivalent Al(1) and six equivalent Al(2) atoms to form a mixture of distorted corner and face-sharing LaAl12 cuboctahedra. All La(1)-Al(1) bond lengths are 3.32 Å. All La(1)-Al(2) bond lengths are 3.22 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to two equivalent Nd(1), two equivalent La(1), two equivalent Al(1), and four equivalent Al(2) atoms. Both Al(1)-Al(1) bond lengths are 2.74 Å. All Al(1)-Al(2) bond lengths are 2.79 Å. In the second Al site, Al(2) is bonded in a 10-coordinate geometry to two equivalent Nd(1), two equivalent La(1), two equivalent Al(2), and four equivalent Al(1) atoms. Both Al(2)-Al(2) bond lengths are 2.71 Å.