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DOE OSTI · 1311891

Materials Data on Li3Pt by Materials Project

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Abstract

Li3Pt is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent Li and four equivalent Pt atoms to form a mixture of distorted edge, corner, and face-sharing LiLi4Pt4 tetrahedra. All Li–Li bond lengths are 2.63 Å. All Li–Pt bond lengths are 2.63 Å. In the second Li site, Li is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Pt atoms. All Li–Pt bond lengths are 3.04 Å. Pt is bonded in a distorted body-centered cubic geometry to fourteen Li atoms.

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36 MATERIALS SCIENCEcrystal structureLi-PtLi3Pt

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2020-05-03. Materials Data on Li3Pt by Materials Project. https://doi.org/10.17188/1311891

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