YNiAl crystallizes in the hexagonal P-62m space group. Y(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(1) is bonded in a 9-coordinate geometry to six equivalent Y(1) and three equivalent Al(1) atoms. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to three equivalent Y(1) and six equivalent Al(1) atoms. Al(1) is bonded in a 12-coordinate geometry to six equivalent Y(1), two equivalent Ni(1), two equivalent Ni(2), and two equivalent Al(1) atoms.
YNiAl crystallizes in the hexagonal P-62m space group. Y(1) is bonded in a 11-coordinate geometry to one Ni(2), four equivalent Ni(1), and six equivalent Al(1) atoms. The Y(1)-Ni(2) bond length is 2.89 Å. All Y(1)-Ni(1) bond lengths are 2.85 Å. There are two shorter (3.11 Å) and four longer (3.18 Å) Y(1)-Al(1) bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to six equivalent Y(1) and three equivalent Al(1) atoms. All Ni(1)-Al(1) bond lengths are 2.73 Å. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to three equivalent Y(1) and six equivalent Al(1) atoms. All Ni(2)-Al(1) bond lengths are 2.53 Å. Al(1) is bonded in a 12-coordinate geometry to six equivalent Y(1), two equivalent Ni(1), two equivalent Ni(2), and two equivalent Al(1) atoms. Both Al(1)-Al(1) bond lengths are 2.79 Å.