#------------------------------------------------------------------------------
#$Date: 2013-05-09 16:53:25 +0300 (Thu, 09 May 2013) $
#$Revision: 86000 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/44/9014474.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_9014474
loop_
_publ_author_name
'Meinhardt, D.'
'Krisement, O.'
_publ_section_title
;
 Strukturuntersuchungen an Karbiden des Eisens,
 Wolframs und Chroms mit thermischen Neutronen
;
_journal_name_full               'Archiv fur das Eisenhuettenwesen'
_journal_page_first              493
_journal_page_last               499
_journal_volume                  33
_journal_year                    1962
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C Fe3'
_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                   4.514
_cell_length_b                   5.078
_cell_length_c                   6.729
_cell_volume                     154.243
_database_code_amcsd             0019094
_exptl_crystal_density_diffrn    7.732
_[local]_cod_chemical_formula_sum_orig 'Fe3 C'
_cod_database_code               9014474
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 0.33700 0.18100 0.06300
Fe2 -0.16300 0.04400 0.25000
C 0.43100 -0.11900 0.25000