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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/9/00/92/9009266.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_9009266
loop_
_publ_author_name
'Engel, P.'
'Nowacki, W.'
_publ_section_title
;Die verfeinerung der kristallstruktur von proustit, Ag3AsS3 und pyrargyrit,
 Ag3SbS3
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              181
_journal_page_last               184
_journal_volume                  1966
_journal_year                    1966
_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                   11.04
_cell_length_b                   11.04
_cell_length_c                   8.72
_cell_formula_units_Z            6
_cell_volume                     920.418
_database_code_amcsd             0014730
_exptl_crystal_density_diffrn    5.862
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_original_formula_sum        'Ag3 Sb S3'
_cod_database_code               9009266
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
Ag 0.07734 0.04122 0.05932 0.03010 0.00359 0.02830
Sb 0.01204 0.01204 0.01926 0.00602 0.00000 0.00000
S 0.01158 0.01482 0.01618 0.00509 0.00084 0.00021
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag 0.24680 0.30340 0.21580
Sb 0.00000 0.00000 0.00000
S 0.22140 0.10140 0.35600
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014730
