Materials Data on LiTbSn2 by Materials Project

Abstract

LiTbSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to four equivalent Tb and five Sn atoms. All Li–Tb bond lengths are 3.39 Å. There are a spread of Li–Sn bond distances ranging from 2.48–2.67 Å. Tb is bonded in a 4-coordinate geometry to four equivalent Li and ten Sn atoms. There are a spread of Tb–Sn bond distances ranging from 3.36–3.60 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 Tb atoms. In the second Sn site, Sn is bonded to four equivalent Li and four equivalent Tb atoms to form a mixture of distorted edge and face-sharing SnLi4Tb4 tetrahedra.