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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/9/00/92/9009268.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_9009268
loop_
_publ_author_name
'Kutoglu, A.'
_publ_section_title
;
 Die struktur des pyrostilpnits (feuerblende) Ag3SbS3
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              145
_journal_page_last               160
_journal_volume                  1968
_journal_year                    1968
_chemical_compound_source        'St. Andreasberg, Harz Mountains, Germany'
_chemical_formula_sum            'Ag3 S3 Sb'
_chemical_name_mineral           Pyrostilpnite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 117.15
_cell_angle_gamma                90
_cell_length_a                   6.84
_cell_length_b                   15.84
_cell_length_c                   6.24
_cell_formula_units_Z            4
_cell_volume                     601.583
_database_code_amcsd             0014734
_exptl_crystal_density_diffrn    5.979
_cod_original_formula_sum        'Ag3 Sb S3'
_cod_database_code               9009268
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ag1 0.03580 0.31470 0.26580 0.05826
Ag2 0.46980 0.24130 0.28040 0.07092
Ag3 -0.40380 0.09340 0.05280 0.05446
Sb 0.19720 0.05220 0.37490 0.03673
S1 0.22100 0.05700 -0.01000 0.04433
S2 -0.45900 0.13500 0.59200 0.04686
S3 -0.04900 0.16700 0.32500 0.05193
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014734
