Al4Nd crystallizes in the tetragonal I4/mmm space group. Nd(1) is bonded in a 16-coordinate geometry to eight equivalent Al(1) and eight equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 9-coordinate geometry to four equivalent Nd(1), one Al(1), and four equivalent Al(2) atoms. In the second Al site, Al(2) is bonded to four equivalent Nd(1), four equivalent Al(1), and four equivalent Al(2) atoms to form a mixture of edge, face, and corner-sharing AlNd4Al8 cuboctahedra.
Al4Nd crystallizes in the tetragonal I4/mmm space group. Nd(1) is bonded in a 16-coordinate geometry to eight equivalent Al(1) and eight equivalent Al(2) atoms. All Nd(1)-Al(1) bond lengths are 3.26 Å. All Nd(1)-Al(2) bond lengths are 3.55 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 9-coordinate geometry to four equivalent Nd(1), one Al(1), and four equivalent Al(2) atoms. The Al(1)-Al(1) bond length is 2.53 Å. All Al(1)-Al(2) bond lengths are 2.64 Å. In the second Al site, Al(2) is bonded to four equivalent Nd(1), four equivalent Al(1), and four equivalent Al(2) atoms to form a mixture of edge, face, and corner-sharing AlNd4Al8 cuboctahedra. All Al(2)-Al(2) bond lengths are 3.00 Å.