#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/29/7222900.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_7222900
loop_
_publ_author_name
'Range, K.J.'
'Mueller, W.'
'Engert, G.'
'Weiss, A.'
_publ_section_title
;
 Hochdrucksynthese und Kristallstrukturen von Tl In S2 -II und Tl In S2
 -III
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (2,1947-32,1977)
;
_journal_page_first              181
_journal_page_last               185
_journal_volume                  29
_journal_year                    1974
_chemical_formula_sum            'In S2 Tl'
_chemical_name_systematic        'Tl In S2'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                28.6
_cell_angle_beta                 28.6
_cell_angle_gamma                28.6
_cell_formula_units_Z            1
_cell_length_a                   7.73
_cell_length_b                   7.73
_cell_length_c                   7.73
_cell_volume                     93.561
_citation_journal_id_ASTM        ZENBAX
_cod_data_source_file            Range_ZENBAX_1974_698.cif
_cod_data_source_block           In1S2Tl1
_cod_original_cell_volume        93.56121
_cod_original_sg_symbol_Hall     '-R 3 2" (-y+z,x+z,-x+y+z)'
_cod_original_formula_sum        'In1 S2 Tl1'
_cod_database_code               7222900
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
z,x,y
y,z,x
-y,-x,-z
-z,-y,-x
-x,-z,-y
-x,-y,-z
-z,-x,-y
-y,-z,-x
y,x,z
z,y,x
x,z,y
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
In1 In+3 0.5 0.5 0.5 1 0.0
Tl1 Tl+1 0 0 0 1 0.0
S1 S-2 0.23 0.23 0.23 1 0.0
