Materials Data on FeMo3PdN by Materials Project
Mo3FePdN crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Mo is bonded in a distorted bent 150 degrees geometry to three equivalent Fe and two equivalent N atoms. There are a spread of Mo–Fe bond distances ranging from 2.74–2.94 Å. There are one shorter (2.12 Å) and one longer (2.13 Å) Mo–N bond lengths. Fe is bonded to nine equivalent Mo and three equivalent Pd atoms to form distorted FeMo9Pd3 cuboctahedra that share corners with six equivalent FeMo9Pd3 cuboctahedra, edges with three equivalent NMo6 octahedra, faces with six equivalent FeMo9Pd3 cuboctahedra, and faces with four equivalent NMo6 octahedra. All Fe–Pd bond lengths are 2.53 Å. Pd is bonded in a 12-coordinate geometry to three equivalent Fe atoms. N is bonded to six equivalent Mo atoms to form distorted NMo6 octahedra that share corners with six equivalent NMo6 octahedra, edges with three equivalent FeMo9Pd3 cuboctahedra, and faces with four equivalent FeMo9Pd3 cuboctahedra. The corner-sharing octahedral tilt angles are 25°.