Al3Dy crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to six equivalent Al(1) and six equivalent Al(2) atoms to form DyAl12 cuboctahedra that share corners with six equivalent Dy(1)Al12 cuboctahedra, corners with twelve equivalent Al(2)Dy4Al8 cuboctahedra, edges with six equivalent Al(2)Dy4Al8 cuboctahedra, faces with two equivalent Dy(1)Al12 cuboctahedra, faces with six equivalent Dy(2)Al12 cuboctahedra, and faces with six equivalent Al(2)Dy4Al8 cuboctahedra. In the second Dy site, Dy(2) is bonded to six equivalent Al(1) and six equivalent Al(2) atoms to form DyAl12 cuboctahedra that share corners with twelve equivalent Dy(2)Al12 cuboctahedra, edges with twelve equivalent Al(2)Dy4Al8 cuboctahedra, faces with six equivalent Dy(1)Al12 cuboctahedra, and faces with six equivalent Al(2)Dy4Al8 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to two equivalent Dy(1), two equivalent Dy(2), two equivalent Al(1), and four equivalent Al(2) atoms. In the second Al site, Al(2) is bonded to two equivalent Dy(1), two equivalent Dy(2), four equivalent Al(1), and four equivalent Al(2) atoms to form distorted AlDy4Al8 cuboctahedra that share corners with four equivalent Dy(1)Al12 cuboctahedra, corners with fourteen equivalent Al(2)Dy4Al8 cuboctahedra, edges with two equivalent Dy(1)Al12 cuboctahedra, edges with four equivalent Dy(2)Al12 cuboctahedra, edges with four equivalent Al(2)Dy4Al8 cuboctahedra, faces with two equivalent Dy(1)Al12 cuboctahedra, faces with two equivalent Dy(2)Al12 cuboctahedra, and faces with six equivalent Al(2)Dy4Al8 cuboctahedra.
Al3Dy crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to six equivalent Al(1) and six equivalent Al(2) atoms to form DyAl12 cuboctahedra that share corners with six equivalent Dy(1)Al12 cuboctahedra, corners with twelve equivalent Al(2)Dy4Al8 cuboctahedra, edges with six equivalent Al(2)Dy4Al8 cuboctahedra, faces with two equivalent Dy(1)Al12 cuboctahedra, faces with six equivalent Dy(2)Al12 cuboctahedra, and faces with six equivalent Al(2)Dy4Al8 cuboctahedra. All Dy(1)-Al(1) bond lengths are 3.06 Å. All Dy(1)-Al(2) bond lengths are 3.04 Å. In the second Dy site, Dy(2) is bonded to six equivalent Al(1) and six equivalent Al(2) atoms to form DyAl12 cuboctahedra that share corners with twelve equivalent Dy(2)Al12 cuboctahedra, edges with twelve equivalent Al(2)Dy4Al8 cuboctahedra, faces with six equivalent Dy(1)Al12 cuboctahedra, and faces with six equivalent Al(2)Dy4Al8 cuboctahedra. All Dy(2)-Al(1) bond lengths are 3.05 Å. All Dy(2)-Al(2) bond lengths are 2.96 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to two equivalent Dy(1), two equivalent Dy(2), 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 2.91 Å. In the second Al site, Al(2) is bonded to two equivalent Dy(1), two equivalent Dy(2), four equivalent Al(1), and four equivalent Al(2) atoms to form distorted AlDy4Al8 cuboctahedra that share corners with four equivalent Dy(1)Al12 cuboctahedra, corners with fourteen equivalent Al(2)Dy4Al8 cuboctahedra, edges with two equivalent Dy(1)Al12 cuboctahedra, edges with four equivalent Dy(2)Al12 cuboctahedra, edges with four equivalent Al(2)Dy4Al8 cuboctahedra, faces with two equivalent Dy(1)Al12 cuboctahedra, faces with two equivalent Dy(2)Al12 cuboctahedra, and faces with six equivalent Al(2)Dy4Al8 cuboctahedra. All Al(2)-Al(2) bond lengths are 3.04 Å.