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DOE OSTI · 1307927

Materials Data on BaPt5 by Materials Project

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Abstract

BaPt5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a 6-coordinate geometry to eighteen Pt+0.40- atoms. There are six shorter (3.25 Å) and twelve longer (3.56 Å) Ba–Pt bond lengths. There are two inequivalent Pt+0.40- sites. In the first Pt+0.40- site, Pt+0.40- is bonded in a 12-coordinate geometry to three equivalent Ba2+ and six equivalent Pt+0.40- atoms. All Pt–Pt bond lengths are 2.72 Å. In the second Pt+0.40- site, Pt+0.40- is bonded to four equivalent Ba2+ and eight Pt+0.40- atoms to form a mixture of edge, corner, and face-sharing PtBa4Pt8 cuboctahedra. All Pt–Pt bond lengths are 2.82 Å.

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36 MATERIALS SCIENCEBa-PtBaPt5crystal structure

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2020-07-16. Materials Data on BaPt5 by Materials Project. https://doi.org/10.17188/1307927

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