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#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/25/9002584.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_9002584
loop_
_publ_author_name
'Graeser, S.'
'Berlepsch, P.'
'Makovicky, E.'
'Balic-Zunic T'
_publ_section_title
;Sicherite, TlAg2(As,Sb)3S6 - a new sulfosalt from Lengenbach (Binntal,
 Switzerland): Description and structure determination Locality: Legenbach
 quarry, Binnatal, Switzerland
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1087
_journal_page_last               1093
_journal_volume                  86
_journal_year                    2001
_chemical_compound_source        'Lengenbach quarry, Binnatal, Switzerland'
_chemical_formula_sum            'Ag2 As2.03 S6 Sb0.97 Tl'
_chemical_name_mineral           Sicherite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2bc 2a'
_symmetry_space_group_name_H-M   'P m n b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.418
_cell_length_b                   15.427
_cell_length_c                   5.6895
_cell_formula_units_Z            4
_cell_volume                     1089.952
_database_code_amcsd             0002673
_exptl_crystal_density_diffrn    5.379
_cod_original_formula_sum        'Tl Ag2 As2.03 Sb.97 S6'
_cod_database_code               9002584
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-x,y,z
1/2+x,-y,-z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
x,1/2+y,1/2-z
-x,1/2-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Tl1 0.25000 0.23322 0.87013 1.00000 0.03965
Ag1 0.07814 0.80769 0.15465 1.00000 0.05860
As1 0.25000 0.96410 0.80600 0.57000 0.02570
Sb1 0.25000 0.95890 0.79600 0.43000 0.03100
As2 0.09500 0.05510 0.29490 0.73000 0.02430
Sb2 0.09550 0.05240 0.30690 0.27000 0.02920
S1 0.25000 0.14175 0.37050 1.00000 0.02720
S2 0.25000 0.89253 0.16150 1.00000 0.02730
S3 0.10710 0.06197 0.88660 1.00000 0.02730
S4 0.97803 0.16637 0.33230 1.00000 0.03470
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0002673
