Materials Data on Y3Ga2 by Materials Project

Abstract

Y3Ga2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded in a 4-coordinate geometry to six Ga atoms. There are a spread of Y–Ga bond distances ranging from 2.92–3.71 Å. In the second Y site, Y is bonded in a 2-coordinate geometry to five Ga atoms. There are a spread of Y–Ga bond distances ranging from 2.99–3.56 Å. In the third Y site, Y is bonded in a 6-coordinate geometry to six Ga atoms. There are a spread of Y–Ga bond distances ranging from 2.98–3.33 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 8-coordinate geometry to eight equivalent Y atoms. In the second Ga site, Ga is bonded in a body-centered cubic geometry to eight equivalent Y atoms. In the third Ga site, Ga is bonded in a 9-coordinate geometry to nine Y atoms. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to nine Y and one Ga atom. The Ga–Ga bond length is 2.80 Å.