Materials Data on CrFe3 by Materials Project

Abstract

CrFe3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cr is bonded to twelve equivalent Fe atoms to form CrFe12 cuboctahedra that share corners with twelve equivalent CrFe12 cuboctahedra, edges with twenty-four equivalent FeCr4Fe8 cuboctahedra, faces with six equivalent CrFe12 cuboctahedra, and faces with twelve equivalent FeCr4Fe8 cuboctahedra. All Cr–Fe bond lengths are 2.52 Å. Fe is bonded to four equivalent Cr and eight equivalent Fe atoms to form FeCr4Fe8 cuboctahedra that share corners with twelve equivalent FeCr4Fe8 cuboctahedra, edges with eight equivalent CrFe12 cuboctahedra, edges with sixteen equivalent FeCr4Fe8 cuboctahedra, faces with four equivalent CrFe12 cuboctahedra, and faces with fourteen equivalent FeCr4Fe8 cuboctahedra. All Fe–Fe bond lengths are 2.52 Å.