Materials Data on Li3Ga7 by Materials Project

Abstract

Li3Ga7 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Li–Ga bond distances ranging from 2.88–3.02 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted hexagonal pyramidal geometry to three equivalent Li and four Ga atoms. There are three shorter (2.59 Å) and one longer (2.65 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to four equivalent Li and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.58–2.72 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to four equivalent Li and six Ga atoms. Both Ga–Ga bond lengths are 2.79 Å.