Materials Data on Li3Ga14 by Materials Project

Abstract

Li3Ga14 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Li is bonded in a 7-coordinate geometry to nine Ga atoms. There are a spread of Li–Ga bond distances ranging from 2.65–3.22 Å. There are six inequivalent Ga sites. In the first Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Li and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.51–2.68 Å. In the second Ga site, Ga is bonded in a 8-coordinate geometry to two equivalent Li and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.64–2.68 Å. In the third Ga site, Ga is bonded in a tetrahedral geometry to four Ga atoms. There are three shorter (2.52 Å) and one longer (2.60 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent Li and four Ga atoms. All Ga–Ga bond lengths are 2.54 Å. In the fifth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Li and six Ga atoms. Both Ga–Ga bond lengths are 2.74 Å. In the sixth Ga site, Ga is bonded in a 1-coordinate geometry to two equivalent Li and six Ga atoms.