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DOE OSTI · 1315458

Materials Data on BaAs2Pt by Materials Project

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Abstract

BaPtAs2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba2+ is bonded in a 10-coordinate geometry to ten As3- atoms. There are a spread of Ba–As bond distances ranging from 3.44–3.52 Å. Pt4+ is bonded in a 5-coordinate geometry to five As3- atoms. There are three shorter (2.58 Å) and two longer (2.61 Å) Pt–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 9-coordinate geometry to six equivalent Ba2+, one Pt4+, and two equivalent As3- atoms. Both As–As bond lengths are 2.70 Å. In the second As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Pt4+ atoms.

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36 MATERIALS SCIENCEAs-Ba-PtBaAs2Ptcrystal structure

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2020-07-16. Materials Data on BaAs2Pt by Materials Project. https://doi.org/10.17188/1315458

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