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DOE OSTI · 1745932

Materials Data on Cs2ZnH4 by Materials Project

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Abstract

Cs2ZnH4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine H1- atoms. There are a spread of Cs–H bond distances ranging from 3.22–3.42 Å. In the second Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine H1- atoms. There are a spread of Cs–H bond distances ranging from 3.08–3.37 Å. Zn2+ is bonded in a tetrahedral geometry to four H1- atoms. There is one shorter (1.67 Å) and three longer (1.68 Å) Zn–H bond length. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a distorted single-bond geometry to five Cs1+ and one Zn2+ atom. In the second H1- site, H1- is bonded in a distorted single-bond geometry to four Cs1+ and one Zn2+ atom. In the third H1- site, H1- is bonded in a distorted single-bond geometry to four Cs1+ and one Zn2+ atom.

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36 MATERIALS SCIENCEcrystal structureCs-H-ZnCs2ZnH4

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2020-05-09. Materials Data on Cs2ZnH4 by Materials Project. https://doi.org/10.17188/1745932

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