PrYAl6 crystallizes in the hexagonal P-6m2 space group. Pr(1) is bonded to six equivalent Al(1) and six equivalent Al(2) atoms to form distorted PrAl12 cuboctahedra that share corners with six equivalent Pr(1)Al12 cuboctahedra, faces with two equivalent Pr(1)Al12 cuboctahedra, and faces with six equivalent Y(1)Al12 cuboctahedra. Y(1) is bonded to six equivalent Al(1) and six equivalent Al(2) atoms to form distorted YAl12 cuboctahedra that share corners with six equivalent Y(1)Al12 cuboctahedra, faces with two equivalent Y(1)Al12 cuboctahedra, and faces with six equivalent Pr(1)Al12 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to two equivalent Pr(1), two equivalent Y(1), two equivalent Al(1), and four equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a 10-coordinate geometry to two equivalent Pr(1), two equivalent Y(1), two equivalent Al(2), and four equivalent Al(1) atoms.
PrYAl6 crystallizes in the hexagonal P-6m2 space group. Pr(1) is bonded to six equivalent Al(1) and six equivalent Al(2) atoms to form distorted PrAl12 cuboctahedra that share corners with six equivalent Pr(1)Al12 cuboctahedra, faces with two equivalent Pr(1)Al12 cuboctahedra, and faces with six equivalent Y(1)Al12 cuboctahedra. All Pr(1)-Al(1) bond lengths are 3.15 Å. All Pr(1)-Al(2) bond lengths are 3.23 Å. Y(1) is bonded to six equivalent Al(1) and six equivalent Al(2) atoms to form distorted YAl12 cuboctahedra that share corners with six equivalent Y(1)Al12 cuboctahedra, faces with two equivalent Y(1)Al12 cuboctahedra, and faces with six equivalent Pr(1)Al12 cuboctahedra. All Y(1)-Al(1) bond lengths are 3.23 Å. All Y(1)-Al(2) bond lengths are 3.13 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to two equivalent Pr(1), two equivalent Y(1), two equivalent Al(1), and four equivalent Al(2) atoms. Both Al(1)-Al(1) bond lengths are 2.70 Å. All Al(1)-Al(2) bond lengths are 2.78 Å. In the second Al site, Al(2) is bonded in a 10-coordinate geometry to two equivalent Pr(1), two equivalent Y(1), two equivalent Al(2), and four equivalent Al(1) atoms. Both Al(2)-Al(2) bond lengths are 2.75 Å.