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DOE OSTI · 1687880

Materials Data on Ba(B2Pt3)2 by Materials Project

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Abstract

Ba(Pt3B2)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent Pt+1.33- atoms to form edge-sharing BaPt12 cuboctahedra. All Ba–Pt bond lengths are 3.41 Å. Pt+1.33- is bonded in a 4-coordinate geometry to two equivalent Ba2+ and four B+1.50+ atoms. There are a spread of Pt–B bond distances ranging from 2.20–2.37 Å. There are two inequivalent B+1.50+ sites. In the first B+1.50+ site, B+1.50+ is bonded in a 6-coordinate geometry to six equivalent Pt+1.33- atoms. In the second B+1.50+ site, B+1.50+ is bonded in a 6-coordinate geometry to six equivalent Pt+1.33- atoms.

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36 MATERIALS SCIENCEB-Ba-PtBa(B2Pt3)2crystal structure

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2020-05-02. Materials Data on Ba(B2Pt3)2 by Materials Project. https://doi.org/10.17188/1687880

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