Materials Data on LiDySn2 by Materials Project

Abstract

LiDySn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to four equivalent Dy and five Sn atoms. All Li–Dy bond lengths are 3.39 Å. There are a spread of Li–Sn bond distances ranging from 2.47–2.68 Å. Dy is bonded in a 12-coordinate geometry to four equivalent Li and ten Sn atoms. There are a spread of Dy–Sn bond distances ranging from 3.37–3.60 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 Dy atoms. In the second Sn site, Sn is bonded to four equivalent Li and four equivalent Dy atoms to form a mixture of distorted edge and face-sharing SnLi4Dy4 tetrahedra.