#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$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'
_space_group_crystal_system      orthorhombic
_space_group_IT_number           29
_space_group_name_Hall           'P 2c -2ac'
_space_group_name_H-M_alt        '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_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z+1/2
3 -x+1/2,y,z+1/2
4 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
