#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/46/9014686.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_9014686
loop_
_publ_author_name
'Abraham, F.'
'Nowogrocki, G.'
'Jolibois, B.'
'Laplace, G.'
_publ_section_title
;
 On Basic Thallium Sulfates: Structure of Tl2 Tl OH(SO4)2
 _cod_database_code 1004058
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1
_journal_page_last               5
_journal_paper_doi               10.1016/0022-4596(83)90033-6
_journal_volume                  47
_journal_year                    1983
_chemical_formula_sum            'O9 S2 Tl3'
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 119.91
_cell_angle_gamma                90
_cell_length_a                   7.758
_cell_length_b                   17.587
_cell_length_c                   7.356
_cell_formula_units_Z            4
_cell_volume                     869.976
_database_code_amcsd             0013502
_exptl_crystal_density_diffrn    6.270
_cod_duplicate_entry             1004058
_cod_original_cell_volume        869.975
_cod_original_formula_sum        'Tl3 S2 O9'
_cod_database_code               9014686
_amcsd_formula_title             'H O9 S2 Tl3'
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Tl1 -0.04450 0.11310 0.21670
Tl2 -0.03300 0.52060 0.19110
Tl3 0.25000 0.24670 0.00000
S1 -0.02660 0.32220 0.24170
S2 0.49200 0.41280 0.25020
O1 -0.12810 0.36380 0.04010
O2 0.41150 0.35690 0.06880
O3 0.62850 0.46430 0.22900
O4 -0.16670 0.26970 0.25950
O5 0.13110 0.27420 0.24990
O6 0.32990 0.45370 0.25010
O7 0.05150 0.37390 0.42050
O8 0.60510 0.36880 0.45290
O9 0.48530 0.19590 0.28210
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0013502
