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DOE OSTI · 1350253

Materials Data on BaGaSnH by Materials Project

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Abstract

BaGaSnH crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Ba is bonded in a distorted trigonal planar geometry to three equivalent Sn and three equivalent H atoms. All Ba–Sn bond lengths are 3.64 Å. All Ba–H bond lengths are 2.71 Å. Ga is bonded in a distorted single-bond geometry to three equivalent Sn and one H atom. All Ga–Sn bond lengths are 2.75 Å. The Ga–H bond length is 1.75 Å. Sn is bonded in a 6-coordinate geometry to three equivalent Ba and three equivalent Ga atoms. H is bonded to three equivalent Ba and one Ga atom to form distorted corner-sharing HBa3Ga trigonal pyramids.

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36 MATERIALS SCIENCEBa-Ga-H-SnBaGaSnHcrystal structure

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2020-07-15. Materials Data on BaGaSnH by Materials Project. https://doi.org/10.17188/1350253

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