NdNiAl crystallizes in the hexagonal P-62m space group. Nd(1) is bonded in a 11-coordinate geometry to one Ni(2), four equivalent Ni(1), and six equivalent Al(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(2) is bonded in a 9-coordinate geometry to three equivalent Nd(1) and six equivalent Al(1) atoms. In the second Ni site, Ni(1) is bonded in a 9-coordinate geometry to six equivalent Nd(1) and three equivalent Al(1) atoms. Al(1) is bonded to six equivalent Nd(1), two equivalent Ni(1), two equivalent Ni(2), and two equivalent Al(1) atoms to form a mixture of distorted corner, edge, and face-sharing AlNd6Al2Ni4 cuboctahedra.
NdNiAl crystallizes in the hexagonal P-62m space group. Nd(1) is bonded in a 11-coordinate geometry to one Ni(2), four equivalent Ni(1), and six equivalent Al(1) atoms. The Nd(1)-Ni(2) bond length is 2.94 Å. All Nd(1)-Ni(1) bond lengths are 2.92 Å. There are two shorter (3.21 Å) and four longer (3.26 Å) Nd(1)-Al(1) bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni(2) is bonded in a 9-coordinate geometry to three equivalent Nd(1) and six equivalent Al(1) atoms. All Ni(2)-Al(1) bond lengths are 2.57 Å. In the second Ni site, Ni(1) is bonded in a 9-coordinate geometry to six equivalent Nd(1) and three equivalent Al(1) atoms. All Ni(1)-Al(1) bond lengths are 2.79 Å. Al(1) is bonded to six equivalent Nd(1), two equivalent Ni(1), two equivalent Ni(2), and two equivalent Al(1) atoms to form a mixture of distorted corner, edge, and face-sharing AlNd6Al2Ni4 cuboctahedra. Both Al(1)-Al(1) bond lengths are 2.74 Å.