data_1010936
_chemical_name_systematic          'Iron carbide (3/1)'
_chemical_name_mineral             'Cohenite'
_chemical_compound_source          'synthetic'
_chemical_formula_structural       'Fe3 C'
_chemical_formula_sum              'Fe3'
_publ_section_title                'The Crystal Structure of Cementite'
_publ_author_name                  'Hendricks, B S'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    74
_journal_year                      1930
_journal_page_first                534
_journal_page_last                 545
_cell_length_a                     4.518
_cell_length_b                     5.069
_cell_length_c                     6.736
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       154.3
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P b n m'
_symmetry_Int_Tables_number        62
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,1/2+z'
  '1/2+x,1/2-y,-z'
  '-x,-y,-z'
  '1/2+x,1/2-y,1/2+z'
  'x,y,1/2-z'
  '1/2-x,1/2+y,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Fe0    0.000
  C0     0.000
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    8 d 0.34(2) 0.17(2) 0.065(15) 1.  0 d
  Fe2   Fe0    4 c -0.16(3) 0.05(2) 0.25 1.  0 d
  C1    C0     4 a 0. 0. 0. 1.  0 d