data_9014589
_publ_section_title
;
 A study on the structure of cementite
 _cod_database_code 1010931
;
_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_sum            'C Fe2'
_chemical_name_mineral           Cohenite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.513
_cell_length_b                   5.048
_cell_length_c                   6.731
_cell_volume                     153.343
_database_code_amcsd             0017653
_exptl_crystal_density_diffrn    10.717
_[local]_cod_chemical_formula_sum_orig 'Fe2 C'
_cod_database_code               9014589
loop_
_space_group_symop_operation_xyz
x,y,z
x,y,1/2-z
-x,-y,1/2+z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe1 0.20500 0.19870 0.00000
Fe2 0.05500 0.43250 0.31560
C1 0.18100 0.41500 0.00000
