#------------------------------------------------------------------------------
#$Date: 2024-05-16 08:36:09 +0200 (Thu 16 de May de 2024) $
#$Revision: 291877 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/18/9011851.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9011851
loop_
_publ_author_name
'Man, L. I.'
_publ_section_title
;
 Determination of the structure of Tl2S by the electron diffraction method
;
_journal_name_full               'Soviet Physics Crystallography'
_journal_page_first              399
_journal_page_last               403
_journal_volume                  15
_journal_year                    1970
_chemical_compound_source        Synthetic
_chemical_formula_sum            'S Tl2'
_chemical_name_mineral           Carlinite
_space_group_IT_number           146
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   12.20
_cell_length_b                   12.20
_cell_length_c                   18.17
_cell_formula_units_Z            27
_cell_volume                     2342.099
_database_code_amcsd             0015553
_exptl_crystal_density_diffrn    8.439
_cod_original_sg_symbol_H-M      'R 3'
_cod_original_formula_sum        'Tl2 S'
_cod_database_code               9011851
loop_
_space_group_symop_operation_xyz
x,y,z
2/3+x,1/3+y,1/3+z
1/3+x,2/3+y,2/3+z
-y,x-y,z
2/3-y,1/3+x-y,1/3+z
1/3-y,2/3+x-y,2/3+z
-x+y,-x,z
2/3-x+y,1/3-x,1/3+z
1/3-x+y,2/3-x,2/3+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Tl1 0.11900 0.19100 0.95700 0.01064
Tl2 0.12200 0.20100 0.32100 0.01064
Tl3 0.11800 0.20900 0.65600 0.01064
Tl4 0.23300 0.10300 0.14000 0.01064
Tl5 0.22700 0.09300 0.47400 0.01064
Tl6 0.23300 0.09600 0.80800 0.01064
S1 0.00000 0.00000 0.19500 0.01064
S2 0.00000 0.00000 0.51900 0.01064
S3 0.00000 0.00000 0.85300 0.01064
S4 0.66500 0.65700 0.22600 0.01064
S5 0.33300 0.33700 0.19500 0.01064
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015553
