#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/62/2106264.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2106264
loop_
_publ_author_name
'Bugli, G.'
_publ_section_title
;
 Structure cristalline du sulfite de fer(II) anhydre Fe S O3
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1297
_journal_page_last               1300
_journal_volume                  36
_journal_year                    1980
_chemical_formula_sum            'Fe O3 S'
_chemical_name_systematic        'Fe (S O3)'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            18
_cell_length_a                   12.748
_cell_length_b                   12.748
_cell_length_c                   7.841
_cell_volume                     1103.535
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Bugli_ACBCAR_1980_981.cif
_cod_data_source_block           Fe1O3S1
_cod_original_formula_sum        'Fe1 O3 S1'
_cod_database_code               2106264
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
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
O1 O-2 0.2664 -0.0167 0.3677 1 0.0
S1 S+4 0.16895 0.01231 0.30628 1 0.0
O2 O-2 0.2399 0.1497 0.278 1 0.0
Fe1 Fe+2 0.2258 0.27208 0.08591 1 0.0
O3 O-2 0.1429 -0.0378 0.121 1 0.0
