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 to six equivalent H atoms to form distorted edge-sharing NaH6 octahedra. There are a spread of Na–H bond distances ranging from 2.23–2.49 Å. Al is bonded in a distorted rectangular see-saw-like geometry to four equivalent H atoms. There is two shorter (1.96 Å) and two longer (1.97 Å) Al–H bond length. H is bonded to three equivalent Na and two equivalent Al atoms to form a mixture of distorted edge and corner-sharing HNa3Al2 trigonal bipyramids.
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