#------------------------------------------------------------------------------
#$Date: 2018-08-07 11:01:53 +0300 (Tue, 07 Aug 2018) $
#$Revision: 209420 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/52/1545252.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1545252
loop_
_publ_author_name
'Nagakura, Sigemaro'
_publ_section_title
;
 Study of Metallic Carbides by Electron Diffraction Part III. Iron
 Carbides
;
_journal_issue                   2
_journal_name_full               'Journal of the Physical Society of Japan'
_journal_page_first              186
_journal_page_last               195
_journal_paper_doi               10.1143/JPSJ.14.186
_journal_volume                  14
_journal_year                    1959
_chemical_formula_sum            'C Fe2.4'
_chemical_name_mineral           'Epsilon Iron Carbide'
_chemical_name_systematic        'Epsilon Iron Carbide'
_space_group_crystal_system      hexagonal
_space_group_IT_number           182
_symmetry_space_group_name_Hall  'P 6c 2c'
_symmetry_space_group_name_H-M   'P 63 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            10
_cell_length_a                   4.767000
_cell_length_b                   4.767000
_cell_length_c                   4.354000
_cell_volume                     85.686
_cod_data_source_file            EpsilonCarbideNagakura1959.cif
_cod_data_source_block           EpsilonNagakura1959
_cod_depositor_comments
;
 Changing the _symmetry_equiv_pos_site_id data item values to start from 1
 instead of 0.

 Antanas Vaitkus,
 2018-07-07

 Changing the name of the structure to 'epsilon iron carbide' so that it
 is more specific and could be easily found by users.
;
_cod_original_cell_volume        85.686000
_cod_original_formula_sum        'Fe2.4 C'
_cod_database_code               1545252
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x ,  y ,  z'
2 '-y ,  x  - y ,  z'
3 '-x  + y , -x ,  z'
4 '-x , -y ,1/2 + z'
5 'y , -x  + y ,1/2 + z'
6 'x  - y ,  x ,1/2 + z'
7 'y ,  x , -z'
8 'x  - y , -y , -z'
9 '-x , -x  + y , -z'
10 '-y , -x ,1/2 - z'
11 '-x  + y ,  y ,1/2 - z'
12 'x ,  x  - y ,1/2 - z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
_atom_site_occupancy
Fe0 Fe 0.333 0.0000 0.00 0.5 1.00
C1 C 0.333 0.6666 0.25 0.5 1.00
C2 C 0.000 0.0000 0.25 0.5 0.25
