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DOE OSTI · 1689078

Materials Data on BaGaSn by Materials Project

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Abstract

BaGaSn crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba is bonded in a 9-coordinate geometry to six equivalent Ga and three equivalent Sn atoms. There are a spread of Ba–Ga bond distances ranging from 3.59–3.72 Å. All Ba–Sn bond lengths are 3.51 Å. Ga is bonded in a 9-coordinate geometry to six equivalent Ba and three equivalent Ga atoms. There are one shorter (2.68 Å) and two longer (2.72 Å) Ga–Ga bond lengths. Sn is bonded to three equivalent Ba and three equivalent Sn atoms to form distorted edge-sharing SnBa3Sn3 octahedra. There are two shorter (2.93 Å) and one longer (2.94 Å) Sn–Sn bond lengths.

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36 MATERIALS SCIENCEBa-Ga-SnBaGaSncrystal structure

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2020-05-03. Materials Data on BaGaSn by Materials Project. https://doi.org/10.17188/1689078

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