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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/9/00/95/9009508.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_9009508
loop_
_publ_author_name
'Smith, J. V.'
'Pluth, J. J.'
'Han, S.'
_publ_section_title
;
 Crystal structure refinement of miargyrite, AgSbS2
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              671
_journal_page_last               675
_journal_paper_doi               10.1180/minmag.1997.061.408.05
_journal_volume                  61
_journal_year                    1997
_chemical_formula_sum            'Ag S2 Sb'
_chemical_name_mineral           Miargyrite
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.567
_cell_angle_gamma                90
_cell_length_a                   12.824
_cell_length_b                   4.4060
_cell_length_c                   13.193
_cell_formula_units_Z            8
_cell_volume                     737.121
_database_code_amcsd             0014529
_exptl_crystal_density_diffrn    5.294
_cod_original_formula_sum        'Ag Sb S2'
_cod_database_code               9009508
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
-x,y,-z
1/2-x,1/2+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 0.00000 0.00000 0.00000 0.03540
Ag2 0.00000 0.94090 0.50000 0.03730
Ag3 0.00047 0.47000 0.24993 0.04480
Sb1 0.25543 0.93060 0.37660 0.02000
Sb2 0.74466 0.99980 0.12335 0.01930
S1 0.14338 0.31400 0.44958 0.01890
S2 0.85659 0.61440 0.05053 0.02050
S3 0.11168 0.14380 0.16765 0.02150
S4 0.88833 0.78530 0.33252 0.02410
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014529
