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DOE OSTI · 1705188

Materials Data on RbAlH4 by Materials Project

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Abstract

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.

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36 MATERIALS SCIENCEAl-H-Rbcrystal structureRbAlH4

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2020-04-30. Materials Data on RbAlH4 by Materials Project. https://doi.org/10.17188/1705188

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