PrAlH6 crystallizes in the trigonal R-3m space group. Pr(1) is bonded to twelve equivalent H(1) atoms to form PrH12 cuboctahedra that share corners with six equivalent Al(1)H6 octahedra, edges with six equivalent Pr(1)H12 cuboctahedra, and faces with two equivalent Al(1)H6 octahedra. The corner-sharing octahedral tilt angles are 41°. Al(1) is bonded to six equivalent H(1) atoms to form AlH6 octahedra that share corners with six equivalent Pr(1)H12 cuboctahedra and faces with two equivalent Pr(1)H12 cuboctahedra. H(1) is bonded in a distorted single-bond geometry to two equivalent Pr(1) and one Al(1) atom.
PrAlH6 crystallizes in the trigonal R-3m space group. Pr(1) is bonded to twelve equivalent H(1) atoms to form PrH12 cuboctahedra that share corners with six equivalent Al(1)H6 octahedra, edges with six equivalent Pr(1)H12 cuboctahedra, and faces with two equivalent Al(1)H6 octahedra. The corner-sharing octahedral tilt angles are 41°. There are six shorter (2.41 Å) and six longer (2.42 Å) Pr(1)-H(1) bond lengths. Al(1) is bonded to six equivalent H(1) atoms to form AlH6 octahedra that share corners with six equivalent Pr(1)H12 cuboctahedra and faces with two equivalent Pr(1)H12 cuboctahedra. All Al(1)-H(1) bond lengths are 1.72 Å. H(1) is bonded in a distorted single-bond geometry to two equivalent Pr(1) and one Al(1) atom.