AlSc2 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 14-coordinate geometry to two equivalent Sc(1), six equivalent Sc(2), and six equivalent Al(1) atoms. In the second Sc site, Sc(2) is bonded to six equivalent Sc(1) and five equivalent Al(1) atoms to form a mixture of distorted corner and face-sharing ScSc6Al5 trigonal bipyramids. Al(1) is bonded in a 11-coordinate geometry to five equivalent Sc(2) and six equivalent Sc(1) atoms.
AlSc2 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 14-coordinate geometry to two equivalent Sc(1), six equivalent Sc(2), and six equivalent Al(1) atoms. Both Sc(1)-Sc(1) bond lengths are 3.08 Å. All Sc(1)-Sc(2) bond lengths are 3.22 Å. All Sc(1)-Al(1) bond lengths are 3.22 Å. In the second Sc site, Sc(2) is bonded to six equivalent Sc(1) and five equivalent Al(1) atoms to form a mixture of distorted corner and face-sharing ScSc6Al5 trigonal bipyramids. There are three shorter (2.82 Å) and two longer (3.08 Å) Sc(2)-Al(1) bond lengths. Al(1) is bonded in a 11-coordinate geometry to five equivalent Sc(2) and six equivalent Sc(1) atoms.