Materials Data on NaAlH2 by Materials Project

NaAlH2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Na is bonded in a distorted rectangular see-saw-like geometry to four equivalent H atoms. There are two shorter (2.34 Å) and two longer (2.39 Å) Na–H bond lengths. Al is bonded in a square co-planar geometry to four equivalent H atoms. All Al–H bond lengths are 1.82 Å. H is bonded to two equivalent Na and two equivalent Al atoms to form a mixture of distorted edge and corner-sharing HNa2Al2 trigonal pyramids.