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DOE OSTI · 1285165

Materials Data on Rb2ZnH4 by Materials Project

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Abstract

Rb2ZnH4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five H1- atoms. There are a spread of Rb–H bond distances ranging from 3.07–3.14 Å. In the second Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to nine H1- atoms. There are a spread of Rb–H bond distances ranging from 2.92–3.21 Å. Zn2+ is bonded in a tetrahedral geometry to four H1- atoms. There are a spread of Zn–H bond distances ranging from 1.66–1.68 Å. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a distorted single-bond geometry to three Rb1+ and one Zn2+ atom. In the second H1- site, H1- is bonded in a distorted single-bond geometry to four Rb1+ and one Zn2+ atom. In the third H1- site, H1- is bonded in a distorted single-bond geometry to four Rb1+ and one Zn2+ atom.

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36 MATERIALS SCIENCEcrystal structureH-Rb-ZnRb2ZnH4

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2020-07-20. Materials Data on Rb2ZnH4 by Materials Project. https://doi.org/10.17188/1285165

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