Materials Data on GaFe3 by Materials Project

Abstract

Fe3Ga is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Fe is bonded to eight equivalent Fe and four equivalent Ga atoms to form FeGa4Fe8 cuboctahedra that share corners with twelve equivalent FeGa4Fe8 cuboctahedra, edges with eight equivalent GaFe12 cuboctahedra, edges with sixteen equivalent FeGa4Fe8 cuboctahedra, faces with four equivalent GaFe12 cuboctahedra, and faces with fourteen equivalent FeGa4Fe8 cuboctahedra. All Fe–Fe bond lengths are 2.59 Å. All Fe–Ga bond lengths are 2.59 Å. Ga is bonded to twelve equivalent Fe atoms to form GaFe12 cuboctahedra that share corners with twelve equivalent GaFe12 cuboctahedra, edges with twenty-four equivalent FeGa4Fe8 cuboctahedra, faces with six equivalent GaFe12 cuboctahedra, and faces with twelve equivalent FeGa4Fe8 cuboctahedra.