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#$Date: 2015-07-13 03:19:12 +0300 (Mon, 13 Jul 2015) $
#$Revision: 148874 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/13/7221342.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_7221342
loop_
_publ_author_name
'Eulenberger, G.'
_publ_section_title
;
 Tl2 Sn2 S5, a thallium(I) thiostannate(IV) with fivefold coordinated tin
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (33,1978-41,1986)
;
_journal_page_first              687
_journal_page_last               690
_journal_volume                  36
_journal_year                    1981
_chemical_formula_sum            'S5 Sn2 Tl2'
_chemical_name_systematic        'Tl2 (Sn2 S5)'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.6
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.115
_cell_length_b                   7.723
_cell_length_c                   11.492
_cell_volume                     934.961
_citation_journal_id_ASTM        ZNBAD2
_cod_data_source_file            Eulenberger_ZNBAD2_1981_1484.cif
_cod_data_source_block           S5Sn2Tl2
_cod_original_cell_volume        934.9606
_cod_database_code               7221342
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-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
Tl1 Tl+1 0.22055 0.3265 0.3176 1 0.0
S1 S-2 0.3043 0.0517 0.9616 1 0.0
S3 S-2 0 0.3199 0.75 1 0.0
Sn1 Sn+4 0.40613 0.3454 0.05926 1 0.0
S2 S-2 0.0124 0.1391 0.1147 1 0.0
