Materials Data on LiTmSn2 by Materials Project

Abstract

LiTmSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to four equivalent Tm and five Sn atoms. All Li–Tm bond lengths are 3.37 Å. There are a spread of Li–Sn bond distances ranging from 2.45–2.67 Å. Tm is bonded in a 12-coordinate geometry to four equivalent Li and ten Sn atoms. There are a spread of Tm–Sn bond distances ranging from 3.32–3.61 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 Tm atoms. In the second Sn site, Sn is bonded to four equivalent Li and four equivalent Tm atoms to form a mixture of face and edge-sharing SnLi4Tm4 tetrahedra.