#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/48/9004833.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_9004833
loop_
_publ_author_name
'Pervukhina, N. V.'
'Vasil'ev, V. I.'
'Naumov, D. Y.'
'Borisov, S. V.'
'Magarill, S. A.'
_publ_section_title
;
 The crystal structure of synthetic radtkeite, Hg3S2ClI
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              87
_journal_page_last               94
_journal_paper_doi               10.2113/gscanmin.42.1.87
_journal_volume                  42
_journal_year                    2004
_chemical_formula_sum            'Cl Hg3 I S2'
_chemical_name_mineral           Radtkeite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 130.17
_cell_angle_gamma                90
_cell_length_a                   16.827
_cell_length_b                   9.117
_cell_length_c                   13.165
_cell_formula_units_Z            8
_cell_volume                     1543.295
_database_code_amcsd             0005926
_exptl_crystal_density_diffrn    7.129
_cod_original_formula_sum        'Hg3 S2 I Cl'
_cod_database_code               9004833
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Hg1 0.00000 0.22700 -0.50000
Hg2 0.15100 0.50000 -0.25350
Hg3 -0.25000 0.25000 -0.50000
Hg4 -0.14050 0.50000 -0.23420
Hg5 0.02480 0.21600 -0.20480
S1 -0.14750 0.23310 -0.26880
S2 0.12340 0.23150 -0.27820
I1 -0.12450 0.50000 0.01260
I2 -0.39360 0.00000 -0.52690
Cl1 0.11260 0.00000 -0.01010
Cl2 0.12990 0.00000 -0.51620
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005926
