LaAlH6 crystallizes in the trigonal R-3m space group. La(1) is bonded to twelve equivalent H(1) atoms to form LaH12 cuboctahedra that share corners with six equivalent Al(1)H6 octahedra, edges with six equivalent La(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 La(1)H12 cuboctahedra and faces with two equivalent La(1)H12 cuboctahedra. H(1) is bonded in a distorted single-bond geometry to two equivalent La(1) and one Al(1) atom.
LaAlH6 crystallizes in the trigonal R-3m space group. La(1) is bonded to twelve equivalent H(1) atoms to form LaH12 cuboctahedra that share corners with six equivalent Al(1)H6 octahedra, edges with six equivalent La(1)H12 cuboctahedra, and faces with two equivalent Al(1)H6 octahedra. The corner-sharing octahedral tilt angles are 41°. All La(1)-H(1) bond lengths are 2.44 Å. Al(1) is bonded to six equivalent H(1) atoms to form AlH6 octahedra that share corners with six equivalent La(1)H12 cuboctahedra and faces with two equivalent La(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 La(1) and one Al(1) atom.