Materials Data on NaGaH4 by Materials Project
NaGaH4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Na1+ is bonded in a 4-coordinate geometry to eight H1- atoms. There are a spread of Na–H bond distances ranging from 2.27–2.71 Å. Ga3+ is bonded in a tetrahedral geometry to four H1- atoms. All Ga–H bond lengths are 1.60 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded in a distorted bent 120 degrees geometry to two equivalent Na1+ and one Ga3+ atom. In the second H1- site, H1- is bonded in a distorted bent 150 degrees geometry to two equivalent Na1+ and one Ga3+ atom.
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