#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/50/9015009.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_9015009
loop_
_publ_author_name
'Laufek, F.'
'Sejkora, J.'
'Dusek, M.'
_publ_section_title
;
 The role of silver in the crystal structure of pyrargyrite: single
 crystal X-ray diffraction study
;
_journal_name_full               'Journal of Geosciences'
_journal_page_first              161
_journal_page_last               167
_journal_volume                  55
_journal_year                    2010
_chemical_compound_source
'H61Z vein, Haje ore deposit, Pribram distict, Czech Republic'
_chemical_formula_sum            'Ag3 S3 Sb'
_chemical_name_mineral           Pyrargyrite
_space_group_IT_number           161
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   11.0464
_cell_length_b                   11.0464
_cell_length_c                   8.7211
_cell_formula_units_Z            6
_cell_volume                     921.602
_database_code_amcsd             0013027
_exptl_crystal_density_diffrn    5.855
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_original_formula_sum        'Sb Ag3 S3'
_cod_database_code               9015009
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
x,x-y,1/2+z
2/3+x,1/3+x-y,5/6+z
1/3+x,2/3+x-y,1/6+z
-y,-x,1/2+z
2/3-y,1/3-x,5/6+z
1/3-y,2/3-x,1/6+z
-x+y,y,1/2+z
2/3-x+y,1/3+y,5/6+z
1/3-x+y,2/3+y,1/6+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_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Sb 0.02070 0.02070 0.01780 0.01030 0.00000 0.00000
Ag 0.09860 0.05200 0.06770 0.03780 0.00200 0.03100
S 0.01880 0.02130 0.02810 0.00890 0.00160 0.00100
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Sb 0.00000 0.00000 0.00000 0.01970
Ag 0.24690 0.30310 0.21840 0.07270
S 0.22150 0.10070 0.36090 0.02330
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0013027
