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#$Date: 2016-02-08 14:14:39 +0200 (Mon, 08 Feb 2016) $
#$Revision: 176264 $
#$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, Shigetaka'
_publ_section_title
;
 A Study on the Structure of Cementite
;
_journal_coden_ASTM              PIATA8
_journal_issue                   7
_journal_name_full               'Proceedings of the Imperial Academy (Tokyo)'
_journal_page_first              269
_journal_page_last               271
_journal_paper_doi               10.2183/pjab1912.6.269
_journal_volume                  6
_journal_year                    1930
_chemical_compound_source        synthetic
_chemical_formula_structural     'Fe3 C'
_chemical_formula_sum            'Fe3 C'
_chemical_name_mineral           Cohenite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n (z,x,y+1/4)'
_symmetry_space_group_name_H-M   'P n m a (c,a-1/4,b)'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.511
_cell_length_b                   5.047
_cell_length_c                   6.738
_cell_volume                     153.404
_database_code_amcsd             0017653
_exptl_crystal_density_diffrn    7.775
_cod_duplicate_entry             1010931
_cod_original_sg_symbol_Hall     '-P 2c 2ab'
_cod_original_sg_symbol_H-M      'P b n m'
_cod_chemical_formula_sum_orig   'Fe2 C'
_cod_database_code               9015586
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 1/2-x,1/2+y,-z
3 -x,-y,1/2+z
4 1/2+x,1/2-y,1/2-z
5 -x,-y,1/2-z
6 1/2+x,1/2-y,1/2+z
7 x,y,-z
8 1/2-x,1/2+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