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DOE OSTI · 1701568

Materials Data on BaIn3Pt by Materials Project

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Abstract

BaPtIn3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to four equivalent Pt and twelve In atoms. All Ba–Pt bond lengths are 3.78 Å. There are a spread of Ba–In bond distances ranging from 3.65–3.87 Å. Pt is bonded in a 5-coordinate geometry to four equivalent Ba and five In atoms. There are one shorter (2.67 Å) and four longer (2.76 Å) Pt–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a distorted bent 120 degrees geometry to four equivalent Ba and two equivalent Pt atoms. In the second In site, In is bonded in a distorted single-bond geometry to four equivalent Ba and one Pt atom.

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36 MATERIALS SCIENCEBa-In-PtBaIn3Ptcrystal structure

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2020-05-02. Materials Data on BaIn3Pt by Materials Project. https://doi.org/10.17188/1701568

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