data_1010931
_publ_section_title              'A Study on the Structure of Cementite'
_journal_coden_ASTM              PJACAW
_journal_name_full               'Proceedings of the Japan Academy'
_journal_page_first              269
_journal_page_last               271
_journal_volume                  6
_journal_year                    1930
_chemical_compound_source        synthetic
_chemical_formula_structural     'Fe3 C'
_chemical_formula_sum            'Fe3 C'
_chemical_name_mineral           Cohenite
_chemical_name_systematic        'Iron carbide (3/1)'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_H-M   'P b n m S'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.513
_cell_length_b                   5.048
_cell_length_c                   6.731
_cell_volume                     153.3
_cod_database_code               1010931
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-x,1/2+y,-z
-x,-y,1/2+z
1/2+x,1/2-y,1/2-z
-x,-y,1/2-z
1/2+x,1/2-y,1/2+z
x,y,-z
1/2-x,1/2+y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Fe1 Fe0 4 c 0.205 0.1987 0. 1. 0 d
Fe2 Fe0 8 d 0.055 0.4325 0.3156 1. 0 d
C1 C0 4 c 0.181 0.415 0. 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Fe0 0.000
C0 0.000
