Materials Data on MgGa2 by Materials Project

Abstract

MgGa2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 10-coordinate geometry to ten Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.83–3.18 Å. In the second Mg site, Mg is bonded in a 5-coordinate geometry to nine Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.86–3.23 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 11-coordinate geometry to four equivalent Mg and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.65–3.09 Å. In the second Ga site, Ga is bonded in a 11-coordinate geometry to six Mg and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.62–2.69 Å. In the third Ga site, Ga is bonded in a 8-coordinate geometry to three Mg and five Ga atoms. The Ga–Ga bond length is 2.58 Å. In the fourth Ga site, Ga is bonded in a 9-coordinate geometry to six Mg and three Ga atoms.