Materials Data on Li3Ga by Materials Project

Abstract

Li3Ga is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent Li and four equivalent Ga atoms to form a mixture of distorted face, edge, and corner-sharing LiLi4Ga4 tetrahedra. All Li–Li bond lengths are 2.75 Å. All Li–Ga bond lengths are 2.75 Å. In the second Li site, Li is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Ga atoms. All Li–Ga bond lengths are 3.17 Å. Ga is bonded in a body-centered cubic geometry to fourteen Li atoms.