Materials Data on Mg2Ga by Materials Project

Abstract

Mg2Ga crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and four equivalent Ga atoms. There are two shorter (3.02 Å) and six longer (3.20 Å) Mg–Mg bond lengths. There are two shorter (2.89 Å) and two longer (3.12 Å) Mg–Ga bond lengths. In the second Mg site, Mg is bonded to six equivalent Mg and two equivalent Ga atoms to form a mixture of distorted edge, face, and corner-sharing MgMg6Ga2 cuboctahedra. Both Mg–Ga bond lengths are 2.98 Å. Ga is bonded in a 6-coordinate geometry to six Mg atoms.