Materials Data on LiErSn2 by Materials Project

Abstract

LiErSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to four equivalent Er and five Sn atoms. All Li–Er bond lengths are 3.37 Å. There are a spread of Li–Sn bond distances ranging from 2.45–2.69 Å. Er is bonded in a 12-coordinate geometry to four equivalent Li and ten Sn atoms. There are a spread of Er–Sn bond distances ranging from 3.36–3.62 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 Er atoms. In the second Sn site, Sn is bonded to four equivalent Li and four equivalent Er atoms to form a mixture of distorted face and edge-sharing SnLi4Er4 tetrahedra.