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 in a 12-coordinate geometry to six Ga atoms. There are two shorter (2.88 Å) and four longer (3.06 Å) Mg–Ga bond lengths. In the second Mg site, Mg is bonded in a 12-coordinate geometry to four Ga atoms. There are two shorter (2.84 Å) and two longer (3.00 Å) Mg–Ga bond lengths. In the third Mg site, Mg is bonded to four Ga atoms to form distorted edge-sharing MgGa4 cuboctahedra. There are two shorter (3.01 Å) and two longer (3.07 Å) Mg–Ga bond lengths. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to four 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 12-coordinate geometry to four Mg atoms.