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DOE OSTI · 1263065

Materials Data on SrGaH4 by Materials Project

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Abstract

SrGaH4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 10-coordinate geometry to ten H1- atoms. There are a spread of Sr–H bond distances ranging from 2.45–2.72 Å. Ga2+ is bonded in a rectangular see-saw-like geometry to four H1- atoms. There is two shorter (1.65 Å) and two longer (1.80 Å) Ga–H bond length. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Sr2+ and one Ga2+ atom. In the second H1- site, H1- is bonded to three equivalent Sr2+ and one Ga2+ atom to form a mixture of distorted edge and corner-sharing HSr3Ga trigonal pyramids. In the third H1- site, H1- is bonded to three equivalent Sr2+ and one Ga2+ atom to form a mixture of distorted edge and corner-sharing HSr3Ga tetrahedra.

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36 MATERIALS SCIENCEcrystal structureGa-H-SrSrGaH4

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2020-07-22. Materials Data on SrGaH4 by Materials Project. https://doi.org/10.17188/1263065

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