Materials Data on Fe4P by Materials Project
Fe4P crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded to twelve equivalent Fe atoms to form FeFe12 cuboctahedra that share corners with twelve equivalent FeFe12 cuboctahedra, faces with six equivalent FeFe12 cuboctahedra, and faces with eight equivalent PFe6 octahedra. All Fe–Fe bond lengths are 2.92 Å. In the second Fe site, Fe is bonded in a linear geometry to four equivalent Fe and two equivalent P atoms. Both Fe–P bond lengths are 2.07 Å. P is bonded to six equivalent Fe atoms to form PFe6 octahedra that share corners with six equivalent PFe6 octahedra and faces with eight equivalent FeFe12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.