Materials Data on RbAlH4 by Materials Project
RbAlH4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight H1- atoms. There are a spread of Rb–H bond distances ranging from 2.92–3.15 Å. Al3+ is bonded in a tetrahedral geometry to four H1- atoms. There is two shorter (1.63 Å) and two longer (1.64 Å) Al–H bond length. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one Al3+ atom. In the second H1- site, H1- is bonded in a distorted single-bond geometry to one Rb1+ and one Al3+ atom. In the third H1- site, H1- is bonded in a distorted single-bond geometry to one Rb1+ and one Al3+ atom.