Fe3C 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 C(1) atoms. C(1) is bonded to six equivalent Fe(1) atoms to form corner-sharing CFe6 octahedra. The corner-sharing octahedral tilt angles are 53°.
Fe3C 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 C(1) atoms. Both Fe(1)-C(1) bond lengths are 1.93 Å. C(1) is bonded to six equivalent Fe(1) atoms to form corner-sharing CFe6 octahedra. The corner-sharing octahedral tilt angles are 53°.