Materials Data on MgGa by Materials Project

Abstract

MgGa crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to six Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.95–3.01 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to seven Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.88–3.12 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to seven Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.89–2.94 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 7-coordinate geometry to seven Mg atoms. In the second Ga site, Ga is bonded in a 12-coordinate geometry to six Mg atoms. In the third Ga site, Ga is bonded in a 9-coordinate geometry to seven Mg atoms.