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DOE OSTI · 1729489

Materials Data on SrGaH5 by Materials Project

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Abstract

SrGaH5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine H1- atoms. There are a spread of Sr–H bond distances ranging from 2.39–2.74 Å. Ga3+ is bonded in a tetrahedral geometry to four H1- atoms. There is two shorter (1.59 Å) and two longer (1.60 Å) Ga–H bond length. There are four inequivalent H1- sites. In the first H1- site, H1- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one Ga3+ atom. In the second H1- site, H1- is bonded in a single-bond geometry to one Ga3+ atom. In the third H1- site, H1- is bonded in a distorted trigonal planar geometry to three equivalent Sr2+ atoms. In the fourth H1- site, H1- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one Ga3+ atom.

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36 MATERIALS SCIENCEcrystal structureGa-H-SrSrGaH5

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2020-05-05. Materials Data on SrGaH5 by Materials Project. https://doi.org/10.17188/1729489

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