Materials Data on NaAlH4 by Materials Project

Kristin Persson
NaAlH4 is Zircon-like structured and crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight equivalent H1- atoms. There are four shorter (2.39 Å) and four longer (2.40 Å) Na–H bond lengths. Al3+ is bonded in a tetrahedral geometry to four equivalent H1- atoms. All Al–H bond lengths are 1.64 Å. H1- is bonded in a distorted trigonal planar geometry to two equivalent Na1+ and...
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