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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/36/7223697.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_7223697
loop_
_publ_author_name
'Mueller, P.'
'Bronger, W.'
_publ_section_title
;
 Na3 Fe S3, ein Thioferrat mit isolierten (Fe2 S6)-Anions
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (33,1978-41,1986)
;
_journal_page_first              1264
_journal_page_last               1266
_journal_volume                  34
_journal_year                    1979
_chemical_formula_sum            'Fe Na3 S3'
_chemical_name_systematic        'Na3 (Fe S3)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 133.6
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.906
_cell_length_b                   12.615
_cell_length_c                   9.895
_cell_volume                     624.268
_citation_journal_id_ASTM        ZNBAD2
_cod_data_source_file            Mueller_ZNBAD2_1979_247.cif
_cod_data_source_block           Fe1Na3S3
_cod_original_cell_volume        624.2682
_cod_original_formula_sum        'Fe1 Na3 S3'
_cod_database_code               7223697
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
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
S1 S 0.5101 0.2999 0.0839 1 0.0
Na1 Na 0.4864 0.5184 0.271 1 0.0
Na2 Na 0.0386 0.4865 0.6543 1 0.0
Na3 Na 0.8872 0.488 0.7904 1 0.0
S2 S 0.2063 0.7309 0.9295 1 0.0
S3 S 0.2019 0.2492 0.1292 1 0.0
Fe1 Fe 0.4983 0.1326 0.4219 1 0.0
