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DOE OSTI · 1714594

Materials Data on LiHoSn2 by Materials Project

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Abstract

LiHoSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to four equivalent Ho and five Sn atoms. All Li–Ho bond lengths are 3.38 Å. There are a spread of Li–Sn bond distances ranging from 2.46–2.67 Å. Ho is bonded in a 4-coordinate geometry to four equivalent Li and ten Sn atoms. There are a spread of Ho–Sn bond distances ranging from 3.34–3.63 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 Ho atoms. In the second Sn site, Sn is bonded to four equivalent Li and four equivalent Ho atoms to form a mixture of face and edge-sharing SnLi4Ho4 tetrahedra.

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36 MATERIALS SCIENCEcrystal structureHo-Li-SnLiHoSn2

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2020-05-02. Materials Data on LiHoSn2 by Materials Project. https://doi.org/10.17188/1714594

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