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#$Date: 2014-07-12 11:06:43 +0300 (Sat, 12 Jul 2014) $
#$Revision: 120115 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/21/9012188.cif $
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#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9012188
loop_
_publ_author_name
'Fruchart, D.'
'Chaudouet, P.'
'Fruchart, R.'
'Rouault, A.'
'Senateur, J. P.'
_publ_section_title
;Etudes structurales de composes de type cementite: effet de l'hydrogene sur
 Fe3C suivi par diffraction neutronique. Spectrometrie Mossbauer sur FeCo2B et
 Co3B dopes au 57Fe Locality: synthetic
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              246
_journal_page_last               252
_journal_volume                  51
_journal_year                    1984
_chemical_formula_sum            'C Fe3'
_chemical_name_mineral           Cementite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.092
_cell_length_b                   6.741
_cell_length_c                   4.527
_cell_volume                     155.390
_exptl_crystal_density_diffrn    7.675
_[local]_cod_chemical_formula_sum_orig 'Fe3 C'
_cod_database_code               9012188
loop_
_symmetry_equiv_pos_as_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 0.18340 0.06890 0.33440 0.00545
Fe2 0.03880 0.25000 0.84220 0.01267
C 0.87640 0.25000 0.44260 0.01140
_journal_paper_doi 10.1016/0022-4596(84)90340-2