Materials Data on Mg2Ga by Materials Project

Abstract

Mg2Ga crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted water-like geometry to four equivalent Mg and two equivalent Ga atoms. All Mg–Mg bond lengths are 3.03 Å. Both Mg–Ga bond lengths are 2.96 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Mg and four equivalent Ga atoms. Both Mg–Mg bond lengths are 3.02 Å. All Mg–Ga bond lengths are 3.01 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to six Ga atoms. There are two shorter (2.96 Å) and four longer (3.01 Å) Mg–Ga bond lengths. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and four Ga atoms. Both Mg–Mg bond lengths are 3.33 Å. There are two shorter (3.10 Å) and two longer (3.13 Å) Mg–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to eight Mg and two equivalent Ga atoms. Both Ga–Ga bond lengths are 3.04 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to eight Mg and two equivalent Ga atoms.