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DOE OSTI · 1315276

Materials Data on Li3Zn by Materials Project

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Abstract

Li3Zn 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 Zn atoms to form a mixture of distorted edge, corner, and face-sharing LiLi4Zn4 tetrahedra. All Li–Li bond lengths are 2.78 Å. All Li–Zn bond lengths are 2.78 Å. In the second Li site, Li is bonded in a distorted body-centered cubic geometry to eight equivalent Li and six equivalent Zn atoms. All Li–Zn bond lengths are 3.21 Å. Zn is bonded in a body-centered cubic geometry to fourteen Li atoms.

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36 MATERIALS SCIENCEcrystal structureLi-ZnLi3Zn

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2020-05-03. Materials Data on Li3Zn by Materials Project. https://doi.org/10.17188/1315276

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