Materials Data on LiLaSn2 by Materials Project

Abstract

LiLaSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to four equivalent La and five Sn atoms. All Li–La bond lengths are 3.53 Å. There are a spread of Li–Sn bond distances ranging from 2.56–2.70 Å. La is bonded in a 4-coordinate geometry to four equivalent Li and ten Sn atoms. There are a spread of La–Sn bond distances ranging from 3.46–3.69 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 La atoms. In the second Sn site, Sn is bonded to four equivalent Li and four equivalent La atoms to form a mixture of distorted edge and face-sharing SnLi4La4 tetrahedra.