Materials Data on FeNi3 by Materials Project

Abstract

Ni3Fe is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Fe is bonded to twelve equivalent Ni atoms to form FeNi12 cuboctahedra that share corners with twelve equivalent FeNi12 cuboctahedra, edges with twenty-four equivalent NiFe4Ni8 cuboctahedra, faces with six equivalent FeNi12 cuboctahedra, and faces with twelve equivalent NiFe4Ni8 cuboctahedra. All Fe–Ni bond lengths are 2.50 Å. Ni is bonded to four equivalent Fe and eight equivalent Ni atoms to form NiFe4Ni8 cuboctahedra that share corners with twelve equivalent NiFe4Ni8 cuboctahedra, edges with eight equivalent FeNi12 cuboctahedra, edges with sixteen equivalent NiFe4Ni8 cuboctahedra, faces with four equivalent FeNi12 cuboctahedra, and faces with fourteen equivalent NiFe4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.50 Å.