BeAlH5 crystallizes in the monoclinic C2/c space group. Be(1) is bonded to two equivalent H(1) and two equivalent H(3) atoms to form BeH4 tetrahedra that share corners with four equivalent Al(1)H6 octahedra. The corner-sharing octahedral tilt angles range from 41-52°. Al(1) is bonded to two equivalent H(1), two equivalent H(2), and two equivalent H(3) atoms to form AlH6 octahedra that share corners with two equivalent Al(1)H6 octahedra and corners with four equivalent Be(1)H4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. There are three inequivalent H sites. In the first H site, H(1) is bonded in a bent 150 degrees geometry to one Be(1) and one Al(1) atom. In the second H site, H(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Al(1) atoms. In the third H site, H(3) is bonded in a bent 120 degrees geometry to one Be(1) and one Al(1) atom.
BeAlH5 crystallizes in the monoclinic C2/c space group. Be(1) is bonded to two equivalent H(1) and two equivalent H(3) atoms to form BeH4 tetrahedra that share corners with four equivalent Al(1)H6 octahedra. The corner-sharing octahedral tilt angles range from 41-52°. Both Be(1)-H(1) bond lengths are 1.43 Å. Both Be(1)-H(3) bond lengths are 1.43 Å. Al(1) is bonded to two equivalent H(1), two equivalent H(2), and two equivalent H(3) atoms to form AlH6 octahedra that share corners with two equivalent Al(1)H6 octahedra and corners with four equivalent Be(1)H4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. Both Al(1)-H(1) bond lengths are 1.73 Å. Both Al(1)-H(2) bond lengths are 1.71 Å. Both Al(1)-H(3) bond lengths are 1.72 Å. There are three inequivalent H sites. In the first H site, H(1) is bonded in a bent 150 degrees geometry to one Be(1) and one Al(1) atom. In the second H site, H(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Al(1) atoms. In the third H site, H(3) is bonded in a bent 120 degrees geometry to one Be(1) and one Al(1) atom.