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DOE OSTI · 1350193

Materials Data on CaGaSiH by Materials Project

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Abstract

CaGaSiH crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Ca2+ is bonded in a distorted trigonal planar geometry to three equivalent Si4- and three equivalent H1- atoms. All Ca–Si bond lengths are 3.14 Å. All Ca–H bond lengths are 2.39 Å. Ga3+ is bonded in a distorted single-bond geometry to three equivalent Si4- and one H1- atom. All Ga–Si bond lengths are 2.43 Å. The Ga–H bond length is 1.75 Å. Si4- is bonded in a 6-coordinate geometry to three equivalent Ca2+ and three equivalent Ga3+ atoms. H1- is bonded to three equivalent Ca2+ and one Ga3+ atom to form corner-sharing HCa3Ga trigonal pyramids.

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36 MATERIALS SCIENCECa-Ga-H-SiCaGaSiHcrystal structure

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2020-07-24. Materials Data on CaGaSiH by Materials Project. https://doi.org/10.17188/1350193

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