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 seven Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.91–3.08 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to six Ga atoms. There are four shorter (2.98 Å) and two longer (3.16 Å) Mg–Ga bond lengths. In the third Mg site, Mg is bonded in a 12-coordinate geometry to five Ga atoms. There are one shorter (2.88 Å) and four longer (2.97 Å) Mg–Ga bond lengths. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 5-coordinate geometry to five Mg and four Ga atoms. There are two shorter (2.90 Å) and two longer (2.92 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to six Mg and three Ga atoms. The Ga–Ga bond length is 2.80 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to seven Mg and three Ga atoms.