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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/60/1536099.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_1536099
loop_
_publ_author_name
'Cordier, G.'
'Schwidetzky, C.'
'Schaefer, H.'
_publ_section_title
;
 New Sb S2 strings in the Ba Sb2 S4 structure
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              84
_journal_page_last               88
_journal_volume                  54
_journal_year                    1984
_chemical_formula_sum            'Ba S4 Sb2'
_chemical_name_systematic        'Ba Sb2 S4'
_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                 101.36
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.985
_cell_length_b                   8.203
_cell_length_c                   20.602
_cell_volume                     1488.701
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Cordier_JSSCBI_1984_643.cif
_cod_data_source_block           Ba1S4Sb2
_cod_original_formula_sum        'Ba1 S4 Sb2'
_cod_database_code               1536099
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
S8 S-2 0.6546 0.347 0.9611 1 0.0
S6 S-2 0.7429 0.826 0.7291 1 0.0
Ba1 Ba+2 0.0237 0.0437 0.8093 1 0.0
S2 S-2 0.2202 0.058 0.0841 1 0.0
Sb1 Sb+3 0.3023 0.4781 0.8753 1 0.0
Sb4 Sb+3 0.8473 0.5 0.8852 1 0.0
S1 S-2 0.038 0.2952 0.9395 1 0.0
Sb2 Sb+3 0.8549 0.1579 0.0026 1 0.0
S7 S-2 0.4965 0.6647 0.848 1 0.0
Ba2 Ba+2 0.5202 0.4429 0.2992 1 0.0
S4 S-2 0.2311 0.8471 0.7163 1 0.0
S3 S-2 0.6293 0.0055 0.0742 1 0.0
S5 S-2 0.9214 0.1549 0.6541 1 0.0
Sb3 Sb+3 0.4237 0.2028 0.0304 1 0.0
