NaAlH4 crystallizes in the orthorhombic Cmc2_1 space group. Na(1) is bonded in a 5-coordinate geometry to two equivalent H(1) and three equivalent H(2) atoms. Al(1) is bonded to one H(1), one H(2), two equivalent H(3), and two equivalent H(4) atoms to form corner-sharing AlH6 octahedra. The corner-sharing octahedral tilt angles range from 10-30°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one Al(1) atom. In the second H site, H(2) is bonded to three equivalent Na(1) and one Al(1) atom to form corner-sharing HNa3Al tetrahedra. In the third H site, H(3) is bonded in a distorted linear geometry to two equivalent Al(1) atoms. In the fourth H site, H(4) is bonded in a bent 150 degrees geometry to two equivalent Al(1) atoms.
NaAlH4 crystallizes in the orthorhombic Cmc2_1 space group. Na(1) is bonded in a 5-coordinate geometry to two equivalent H(1) and three equivalent H(2) atoms. Both Na(1)-H(1) bond lengths are 2.19 Å. There are two shorter (2.23 Å) and one longer (2.28 Å) Na(1)-H(2) bond length. Al(1) is bonded to one H(1), one H(2), two equivalent H(3), and two equivalent H(4) atoms to form corner-sharing AlH6 octahedra. The corner-sharing octahedral tilt angles range from 10-30°. The Al(1)-H(1) bond length is 1.66 Å. The Al(1)-H(2) bond length is 1.68 Å. Both Al(1)-H(3) bond lengths are 1.75 Å. There is one shorter (1.73 Å) and one longer (1.82 Å) Al(1)-H(4) bond length. There are four inequivalent H sites. In the first H site, H(1) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one Al(1) atom. In the second H site, H(2) is bonded to three equivalent Na(1) and one Al(1) atom to form corner-sharing HNa3Al tetrahedra. In the third H site, H(3) is bonded in a distorted linear geometry to two equivalent Al(1) atoms. In the fourth H site, H(4) is bonded in a bent 150 degrees geometry to two equivalent Al(1) atoms.