#------------------------------------------------------------------------------
#$Date: 2013-05-09 16:53:25 +0300 (Thu, 09 May 2013) $
#$Revision: 86000 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/55/9015586.cif $
#------------------------------------------------------------------------------
#
# 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_9015586
loop_
_publ_author_name
'Shimura, S.'
_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                   4.511
_cell_length_b                   5.046
_cell_length_c                   6.738
_cell_volume                     153.374
_database_code_amcsd             0017653
_exptl_crystal_density_diffrn    10.715
_[local]_cod_chemical_formula_sum_orig 'Fe2 C'
_cod_database_code               9015586
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
C 0.18100 0.41500 0.00000