Materials Data on Mg3Ga by Materials Project

Abstract

Mg3Ga is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to eight equivalent Mg and four equivalent Ga atoms to form distorted MgMg8Ga4 cuboctahedra that share corners with four equivalent GaMg12 cuboctahedra, corners with fourteen equivalent MgMg8Ga4 cuboctahedra, edges with six equivalent GaMg12 cuboctahedra, edges with twelve equivalent MgMg8Ga4 cuboctahedra, faces with four equivalent GaMg12 cuboctahedra, and faces with sixteen equivalent MgMg8Ga4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.06–3.14 Å. There are two shorter (3.04 Å) and two longer (3.10 Å) Mg–Ga bond lengths. Ga is bonded to twelve equivalent Mg atoms to form GaMg12 cuboctahedra that share corners with six equivalent GaMg12 cuboctahedra, corners with twelve equivalent MgMg8Ga4 cuboctahedra, edges with eighteen equivalent MgMg8Ga4 cuboctahedra, faces with eight equivalent GaMg12 cuboctahedra, and faces with twelve equivalent MgMg8Ga4 cuboctahedra.