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DOE OSTI · 1745655

Materials Data on Li3Sn by Materials Project

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Abstract

Li3Sn 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 Sn atoms to form a mixture of distorted corner, edge, and face-sharing LiLi4Sn4 tetrahedra. All Li–Li bond lengths are 2.85 Å. All Li–Sn bond lengths are 2.85 Å. In the second Li site, Li is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Sn atoms. All Li–Sn bond lengths are 3.29 Å. Sn is bonded in a body-centered cubic geometry to fourteen Li atoms.

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36 MATERIALS SCIENCEcrystal structureLi-SnLi3Sn

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2020-05-03. Materials Data on Li3Sn by Materials Project. https://doi.org/10.17188/1745655

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