Materials Data on MgGa by Materials Project

Abstract

MgGa crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to four Ga atoms to form distorted corner-sharing MgGa4 cuboctahedra. There are two shorter (2.98 Å) and two longer (3.04 Å) Mg–Ga bond lengths. In the second Mg site, Mg is bonded in a 12-coordinate geometry to eight Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.90–3.11 Å. In the third 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 2.93–3.05 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 6-coordinate geometry to six Mg atoms. In the second Ga site, Ga is bonded in a 12-coordinate geometry to eight Mg atoms. In the third Ga site, Ga is bonded in a 4-coordinate geometry to four Mg atoms.