Materials Data on Sm3Ga2 by Materials Project

Abstract

Sm3Ga2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a 4-coordinate geometry to six Ga atoms. There are a spread of Sm–Ga bond distances ranging from 2.99–3.77 Å. In the second Sm site, Sm is bonded in a 5-coordinate geometry to five Ga atoms. There are a spread of Sm–Ga bond distances ranging from 3.08–3.62 Å. In the third Sm site, Sm is bonded in a 6-coordinate geometry to six Ga atoms. There are a spread of Sm–Ga bond distances ranging from 3.05–3.39 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 8-coordinate geometry to eight equivalent Sm atoms. In the second Ga site, Ga is bonded in a body-centered cubic geometry to eight equivalent Sm atoms. In the third Ga site, Ga is bonded in a 9-coordinate geometry to nine Sm atoms. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to nine Sm and one Ga atom. The Ga–Ga bond length is 2.83 Å.