Materials Data on MgGaAu by Materials Project

Abstract

MgAuGa crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded in a 11-coordinate geometry to five Au and six equivalent Ga atoms. There are one shorter (2.88 Å) and four longer (2.89 Å) Mg–Au bond lengths. There are two shorter (3.03 Å) and four longer (3.09 Å) Mg–Ga bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to three equivalent Mg and six equivalent Ga atoms. All Au–Ga bond lengths are 2.72 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to six equivalent Mg and three equivalent Ga atoms. All Au–Ga bond lengths are 2.71 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Mg and four Au atoms.