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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/8/10/36/8103698.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_8103698
loop_
_publ_author_name
'Gostojic, M.'
'Nowacki, W.'
'Engel, P.'
_publ_section_title
;
 The crystal structure of synthetic Tl Sb3 S5
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              217
_journal_page_last               224
_journal_volume                  159
_journal_year                    1982
_chemical_formula_sum            'S5 Sb3 Tl'
_chemical_name_systematic        'Tl Sb3 S5'
_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                 113.55
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.225
_cell_length_b                   15.547
_cell_length_c                   8.946
_cell_volume                     921.183
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Gostojic_ZEKRDZ_1982_570.cif
_cod_data_source_block           S5Sb3Tl1
_cod_original_cell_volume        921.1835
_cod_original_formula_sum        'S5 Sb3 Tl1'
_cod_database_code               8103698
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
S4 S-2 0.7779 0.375 0.1664 1 0.0
S1 S-2 0.7025 0.1621 0.2416 1 0.0
Sb2 Sb+3 0 0.0061 0.2799 1 0.0
Tl1 Tl+1 0.0037 0.2293 0.0348 1 0.0
S5 S-2 0.3107 0.2285 0.3918 1 0.0
Sb3 Sb+3 0.4939 0.368 0.433 1 0.0
Sb1 Sb+3 0.5219 0.096 0.3898 1 0.0
S2 S-2 0.2205 0.4387 0.1071 1 0.0
S3 S-2 0.2493 0.0527 0.0061 1 0.0
