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DOE OSTI · 1311085

Materials Data on LiZn3 by Materials Project

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Abstract

LiZn3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to fourteen Zn atoms. There are eight shorter (2.66 Å) and six longer (3.07 Å) Li–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Li and four equivalent Zn atoms to form a mixture of distorted corner, edge, and face-sharing ZnLi4Zn4 tetrahedra. All Zn–Zn bond lengths are 2.66 Å. In the second Zn site, Zn is bonded in a 8-coordinate geometry to six equivalent Li and eight equivalent Zn atoms.

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36 MATERIALS SCIENCEcrystal structureLi-ZnLiZn3

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2020-05-02. Materials Data on LiZn3 by Materials Project. https://doi.org/10.17188/1311085

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