Materials Data on MgGa5 by Materials Project

Abstract

MgGa5 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to ten Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.89–3.07 Å. There are five inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to ten Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.84–3.06 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Mg and six Ga atoms. There are two shorter (2.90 Å) and two longer (2.98 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Mg and four Ga atoms. In the fourth Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Mg and two equivalent Ga atoms. In the fifth Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Mg and six Ga atoms.