Materials Data on FeNi by Materials Project

Abstract

NiFe is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Fe is bonded to four equivalent Fe and eight equivalent Ni atoms to form FeFe4Ni8 cuboctahedra that share corners with twelve equivalent FeFe4Ni8 cuboctahedra, edges with eight equivalent FeFe4Ni8 cuboctahedra, edges with sixteen equivalent NiFe8Ni4 cuboctahedra, faces with eight equivalent NiFe8Ni4 cuboctahedra, and faces with ten equivalent FeFe4Ni8 cuboctahedra. All Fe–Fe bond lengths are 2.51 Å. All Fe–Ni bond lengths are 2.52 Å. Ni is bonded to eight equivalent Fe and four equivalent Ni atoms to form NiFe8Ni4 cuboctahedra that share corners with twelve equivalent NiFe8Ni4 cuboctahedra, edges with eight equivalent NiFe8Ni4 cuboctahedra, edges with sixteen equivalent FeFe4Ni8 cuboctahedra, faces with eight equivalent FeFe4Ni8 cuboctahedra, and faces with ten equivalent NiFe8Ni4 cuboctahedra. All Ni–Ni bond lengths are 2.51 Å.