#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/1/1008725.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1008725
_chemical_name_systematic          'Iron carbide'
_chemical_name_mineral             'Cohenite'
_chemical_compound_source          'synthetic'
_chemical_formula_structural       'Fe3 C'
_chemical_formula_sum              'Fe3'
_publ_section_title
;
Etudes structurales de composes de type cementite: effet de l'hydrogene
sur Fe3 C suivi par diffraction neutronique Spectrometrie moessbauer
sur Fe Co2 B et Co3 B dopes au ^57^Fe
;
loop_
_publ_author_name
  'Fruchart, D'
  'Chaudouet, P'
  'Fruchart, R'
  'Rouault, A'
  'Senateur, J P'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    51
_journal_year                      1984
_journal_page_first                246
_journal_page_last                 252
_cell_length_a                     5.092
_cell_length_b                     6.741
_cell_length_c                     4.527
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       155.4
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P n m a'
_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,1/2+y,-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2+y,1/2+z'
  'x,1/2-y,z'
  '1/2+x,y,1/2-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 0.1834(7) 0.0689(7) 0.3344(8) 1.  0 d
  Fe2   Fe0    4 c 0.0388(11) 0.25 0.8422(16) 1.  0 d
  C1    C0     4 c 0.8764(22) 0.25 0.4426(17) 1.  0 d