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DOE OSTI · 1313333

Materials Data on Li2Sb by Materials Project

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Abstract

Li2Sb crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four Sb2- atoms to form a mixture of edge and corner-sharing LiSb4 tetrahedra. All Li–Sb bond lengths are 2.84 Å. In the second Li1+ site, Li1+ is bonded in a 5-coordinate geometry to five Sb2- atoms. There are a spread of Li–Sb bond distances ranging from 2.92–3.05 Å. There are two inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 9-coordinate geometry to nine Li1+ atoms. In the second Sb2- site, Sb2- is bonded in a 9-coordinate geometry to nine Li1+ atoms.

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36 MATERIALS SCIENCEcrystal structureLi-SbLi2Sb

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2020-07-15. Materials Data on Li2Sb by Materials Project. https://doi.org/10.17188/1313333

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