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DOE OSTI · 1752242

Materials Data on VPt8 by Materials Project

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Abstract

Pt8V crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. V5+ is bonded to twelve Pt+0.62- atoms to form VPt12 cuboctahedra that share corners with eight equivalent PtV2Pt10 cuboctahedra, faces with two equivalent VPt12 cuboctahedra, and faces with twelve equivalent PtV2Pt10 cuboctahedra. There are eight shorter (2.74 Å) and four longer (2.75 Å) V–Pt bond lengths. There are two inequivalent Pt+0.62- sites. In the first Pt+0.62- site, Pt+0.62- is bonded to two equivalent V5+ and ten Pt+0.62- atoms to form distorted PtV2Pt10 cuboctahedra that share corners with two equivalent VPt12 cuboctahedra, corners with four equivalent PtV2Pt10 cuboctahedra, edges with twelve equivalent PtV2Pt10 cuboctahedra, faces with three equivalent VPt12 cuboctahedra, and faces with seven equivalent PtV2Pt10 cuboctahedra. There are a spread of Pt–Pt bond distances ranging from 2.70–2.89 Å. In the second Pt+0.62- site, Pt+0.62- is bonded in a distorted single-bond geometry to one V5+ and six equivalent Pt+0.62- atoms.

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36 MATERIALS SCIENCEcrystal structurePt-VVPt8

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2020-05-02. Materials Data on VPt8 by Materials Project. https://doi.org/10.17188/1752242

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