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#$Date: 2024-05-06 10:39:41 +0300 (Mon, 06 May 2024) $
#$Revision: 291735 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/94/9009474.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_9009474
loop_
_publ_author_name
'Pasava, J.'
'Pertlik, F.'
'Stumpfl, E. F.'
'Zemann, J.'
_publ_section_title
;
 Bernardite, a new thallium arsenic sulphosalt from Allchar,
 Macedonia, with a determination of the crystal structure
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              531
_journal_page_last               538
_journal_paper_doi               10.1180/minmag.1989.053.373.03
_journal_volume                  53
_journal_year                    1989
_chemical_compound_source        'Allchar, Macedonia'
_chemical_formula_sum            'As5 S8 Tl'
_chemical_name_mineral           Bernardite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.27
_cell_angle_gamma                90
_cell_length_a                   15.647
_cell_length_b                   8.038
_cell_length_c                   10.750
_cell_formula_units_Z            4
_cell_volume                     1351.702
_database_code_amcsd             0014490
_exptl_crystal_density_diffrn    4.106
_cod_original_formula_sum        'Tl As5 S8'
_cod_database_code               9009474
loop_
_space_group_symop_operation_xyz
x,y,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
Tl 0.27798 0.15448 0.82965
As1 0.55310 0.66940 0.90030
As2 0.06540 0.45450 0.88250
As3 0.26260 0.63420 0.94010
As4 0.57830 0.12160 0.88590
As5 0.88940 0.21480 0.86260
S1 0.42760 0.11050 0.39970
S2 0.56280 0.14510 0.09550
S3 0.33640 0.10510 0.09980
S4 0.03280 0.18090 0.88860
S5 0.18160 0.41480 0.01180
S6 0.13200 0.44940 0.69790
S7 0.84750 0.32940 0.56140
S8 0.68600 0.17780 0.36390
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014490
