data_global
_chemical_name_mineral 'Cohenite'
loop_
_publ_author_name
'Wood I G'
'Vocadlo L'
'Knight K S'
'Dobson D P'
'Marshall W G'
'Price G D'
'Brodholt J'
_journal_name_full 'Journal of Applied Crystallography'
_journal_volume 37 
_journal_year 2004
_journal_page_first 82
_journal_page_last 90
_publ_section_title
;
 Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K
 determined by time-of-flight neutron powder diffraction
 Note: T = 320 K
;
_database_code_amcsd 0019114
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Fe3 C'
_cell_length_a 5.081
_cell_length_b 6.755
_cell_length_c 4.515
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 154.965
_exptl_crystal_density_diffrn      7.696
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Fe1   0.18450   0.05840   0.33300   0.01400
Fe2   0.03470   0.25000   0.83730   0.01400
C   0.89740   0.25000   0.45020   0.02800