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#$Date: 2017-07-28 15:28:33 +0300 (Fri, 28 Jul 2017) $
#$Revision: 199386 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/85/7228542.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_7228542
loop_
_publ_author_name
'El Mendili, Y.'
'Abdelouas, A.'
'Bardeau, J.-F.'
_publ_section_title
;
 Impact of a sulphidogenic environment on the corrosion behavior of carbon
 steel at 90 \%C
;
_journal_issue                   35
_journal_name_full               'RSC Advances'
_journal_page_first              15148
_journal_page_last               15156
_journal_paper_doi               10.1039/C3RA42221F
_journal_volume                  3
_journal_year                    2013
_chemical_formula_sum            'Fe S2'
_chemical_name_systematic        'Fe S2'
_space_group_IT_number           29
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.42
_cell_length_b                   5.42
_cell_length_c                   5.42
_cell_volume                     159.220
_cod_data_source_file            0000004.cif
_cod_data_source_block           0000004
_cod_original_cell_volume        158.9558
_cod_original_formula_sum        'Fe1 S2'
_cod_database_code               7228542
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
-x+1/2,y,z+1/2
x+1/2,-y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
S2 S 0.615 0.615 0.615 1 0.0
S1 S 0.385 0.635 0.385 1 0.0
Fe1 Fe -0.0049 0.2581 0.0016 1 0.0