#------------------------------------------------------------------------------
#$Date: 2024-05-09 11:47:05 +0300 (Thu, 09 May 2024) $
#$Revision: 291792 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/14/9011404.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_9011404
loop_
_publ_author_name
'Hendricks, B. S.'
_publ_section_title
;
 The crystal structure of cementite
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              534
_journal_page_last               545
_journal_volume                  74
_journal_year                    1930
_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                   4.518
_cell_length_b                   5.069
_cell_length_c                   6.736
_cell_formula_units_Z            4
_cell_volume                     154.266
_exptl_crystal_density_diffrn    7.731
_cod_original_formula_sum        'Fe3 C'
_cod_database_code               9011404
loop_
_symmetry_equiv_pos_as_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 0.34000 0.17000 0.06500
Fe2 -0.16000 0.05000 0.25000
C 0.00000 0.00000 0.00000
_cod_duplicate_entry 1010936
