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DOE OSTI · 1191875

Materials Data on Li3Hg by Materials Project

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Abstract

Li3Hg 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 Hg atoms to form a mixture of distorted corner, edge, and face-sharing LiLi4Hg4 tetrahedra. All Li–Li bond lengths are 2.84 Å. All Li–Hg bond lengths are 2.84 Å. In the second Li site, Li is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Hg atoms. All Li–Hg bond lengths are 3.27 Å. Hg is bonded in a body-centered cubic geometry to fourteen Li atoms.

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36 MATERIALS SCIENCEcrystal structureHg-LiLi3Hg

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2020-07-17. Materials Data on Li3Hg by Materials Project. https://doi.org/10.17188/1191875

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