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#$Date: 2023-03-24 18:37:27 +0200 (Fri, 24 Mar 2023) $
#$Revision: 282053 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/95/9009544.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_9009544
loop_
_publ_author_name
'Kaplunik, L. N.'
'Pobedimskaya, E. A.'
'Belov, N. V.'
_publ_section_title
;
 Kristallicheskaya struktura aktashimita Cu6Hg3As4S12
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              96
_journal_page_last               98
_journal_volume                  251
_journal_year                    1980
_chemical_formula_sum            'As4 Cu6 Hg3 S12'
_chemical_name_mineral           Aktashite
_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                   13.730
_cell_length_b                   13.730
_cell_length_c                   9.329
_cell_volume                     1523.024
_database_code_amcsd             0012465
_exptl_crystal_density_diffrn    5.454
_cod_original_sg_symbol_H-M      'R 3'
_cod_original_formula_sum        'Hg3 Cu6 As4 S12'
_cod_database_code               9009544
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
Hg 0.31000 0.22630 0.02730 0.02444
Cu1 0.07600 0.29210 0.02220 0.01292
Cu2 0.39150 0.55200 0.03720 0.01241
As, 0.56100 0.17800 0.01920 0.00950
As2 0.00000 0.00000 0.00000 0.00266
S1 0.37290 0.08990 0.10400 0.00570
S2 0.45790 0.42800 0.08520 0.00481
S3 0.11860 0.15610 0.12710 0.00823
S4 0.20360 0.47500 0.11530 0.00684