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DOE OSTI · 1680104

Materials Data on LiSmSn2 by Materials Project

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Abstract

LiSmSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to four equivalent Sm and five Sn atoms. All Li–Sm bond lengths are 3.45 Å. There are a spread of Li–Sn bond distances ranging from 2.50–2.68 Å. Sm is bonded in a 4-coordinate geometry to four equivalent Li and ten Sn atoms. There are a spread of Sm–Sn bond distances ranging from 3.39–3.64 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted single-bond geometry to one Li and six equivalent Sm atoms. In the second Sn site, Sn is bonded to four equivalent Li and four equivalent Sm atoms to form a mixture of distorted edge and face-sharing SnLi4Sm4 tetrahedra.

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36 MATERIALS SCIENCEcrystal structureLi-Sm-SnLiSmSn2

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2020-05-02. Materials Data on LiSmSn2 by Materials Project. https://doi.org/10.17188/1680104

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