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DOE OSTI · 1311056

Materials Data on Li3Ag by Materials Project

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Abstract

Li3Ag 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 Ag atoms to form a mixture of distorted corner, edge, and face-sharing LiLi4Ag4 tetrahedra. All Li–Li bond lengths are 2.80 Å. All Li–Ag bond lengths are 2.80 Å. In the second Li site, Li is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Ag atoms. All Li–Ag bond lengths are 3.23 Å. Ag is bonded in a distorted body-centered cubic geometry to fourteen Li atoms.

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36 MATERIALS SCIENCEAg-Licrystal structureLi3Ag

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2020-05-02. Materials Data on Li3Ag by Materials Project. https://doi.org/10.17188/1311056

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