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#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/18/9011869.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_9011869
loop_
_publ_author_name
'Kaplunnik, L. N.'
'Pobedimskaya, E. A.'
'Belov, N. V.'
_publ_section_title
;
 Crystal structure of velikite Cu3.75Hg1.75Sn2S8
;
_journal_name_full               'Soviet Physics Crystallography'
_journal_page_first              99
_journal_page_last               100
_journal_volume                  22
_journal_year                    1977
_chemical_compound_source        'Khaidarkan, Kyrgyzstan'
_chemical_formula_sum            'Cu1.6 Hg0.875 S4 Sn Zn0.28'
_chemical_name_mineral           Velikite
_space_group_IT_number           121
_symmetry_space_group_name_Hall  'I -4 2'
_symmetry_space_group_name_H-M   'I -4 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.542
_cell_length_b                   5.542
_cell_length_c                   10.908
_cell_formula_units_Z            1
_cell_volume                     335.026
_database_code_amcsd             0015574
_exptl_crystal_density_diffrn    5.377
_cod_original_formula_sum        'Cu1.6 Zn.28 Hg.875 Sn S4'
_cod_database_code               9011869
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
-y,-x,z
1/2-y,1/2-x,1/2+z
y,-x,-z
1/2+y,1/2-x,1/2-z
-x,y,-z
1/2-x,1/2+y,1/2-z
-x,-y,z
1/2-x,1/2-y,1/2+z
y,x,z
1/2+y,1/2+x,1/2+z
-y,x,-z
1/2-y,1/2+x,1/2-z
x,-y,-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
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Cu 0.50000 0.00000 0.24980 0.40000 0.02360
Zn 0.50000 0.00000 0.24980 0.07000 0.02360
Hg 0.00000 0.00000 0.00000 0.87500 0.00662
Sn 0.00000 0.00000 0.50000 1.00000 0.01871
S 0.24350 0.24350 0.35330 1.00000 0.01717
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015574
