Fe3N is Upper Bainite structured and crystallizes in the hexagonal P6_322 space group. Fe(1) is bonded in a bent 120 degrees geometry to two equivalent N(1) atoms. N(1) is bonded to six equivalent Fe(1) atoms to form corner-sharing NFe6 octahedra. The corner-sharing octahedral tilt angles are 52°.
Fe3N is Upper Bainite structured and crystallizes in the hexagonal P6_322 space group. Fe(1) is bonded in a bent 120 degrees geometry to two equivalent N(1) atoms. Both Fe(1)-N(1) bond lengths are 1.92 Å. N(1) is bonded to six equivalent Fe(1) atoms to form corner-sharing NFe6 octahedra. The corner-sharing octahedral tilt angles are 52°.