Materials Data on MgGa2 by Materials Project

Abstract

MgGa2 crystallizes in the orthorhombic Amm2 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 Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.87–3.06 Å. 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 2.85–3.01 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Mg and eight Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.83–3.04 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to four equivalent Mg and six Ga atoms. All Ga–Ga bond lengths are 2.93 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Mg and four Ga atoms. In the fourth Ga site, Ga is bonded in a 4-coordinate geometry to four Mg and six Ga atoms.