Materials Data on LiNdSn2 by Materials Project

Abstract

LiNdSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to four equivalent Nd and five Sn atoms. All Li–Nd bond lengths are 3.47 Å. There are a spread of Li–Sn bond distances ranging from 2.53–2.68 Å. Nd is bonded in a 4-coordinate geometry to four equivalent Li and ten Sn atoms. There are a spread of Nd–Sn bond distances ranging from 3.42–3.66 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to four equivalent Li and four equivalent Nd atoms to form a mixture of distorted edge and face-sharing SnLi4Nd4 tetrahedra. In the second Sn site, Sn is bonded in a distorted single-bond geometry to one Li and six equivalent Nd atoms.