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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/9/01/25/9012598.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_9012598
loop_
_publ_author_name
'Baker, C. L.'
'Lincoln, F. J.'
'Johnson, W. S.'
_publ_section_title
;Crystal structure determination of Ag3CuS2 from powder X-ray diffraction data
;
_journal_name_full               'Australian Journal of Chemistry'
_journal_page_first              1441
_journal_page_last               1449
_journal_paper_doi               10.1071/CH9921441
_journal_volume                  45
_journal_year                    1992
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ag3 Cu S2'
_chemical_name_mineral           Jalpaite
_space_group_IT_number           141
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.6705
_cell_length_b                   8.6705
_cell_length_c                   11.7573
_cell_formula_units_Z            8
_cell_volume                     883.885
_database_code_amcsd             0012059
_exptl_crystal_density_diffrn    6.783
_cod_original_sg_symbol_H-M      'I 41/a m d'
_cod_database_code               9012598
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
1/4-y,3/4-x,1/4+z
3/4-y,1/4-x,3/4+z
1/4+y,3/4+x,1/4-z
3/4+y,1/4+x,3/4-z
1/4+y,3/4-x,1/4-z
3/4+y,1/4-x,3/4-z
1/4-y,3/4+x,1/4+z
3/4-y,1/4+x,3/4+z
1/2+x,-y,1/2+z
+x,1/2-y,+z
1/2-x,y,1/2-z
-x,1/2+y,-z
1/2+x,y,1/2-z
+x,1/2+y,-z
1/2-x,-y,1/2+z
-x,1/2-y,+z
1/4+y,1/4+x,3/4+z
3/4+y,3/4+x,1/4+z
1/4-y,1/4-x,3/4-z
3/4-y,3/4-x,1/4-z
1/4-y,1/4+x,3/4-z
3/4-y,3/4+x,1/4-z
1/4+y,1/4-x,3/4+z
3/4+y,3/4-x,1/4+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
-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_U_iso_or_equiv
Ag1 0.00000 0.00000 0.00000 0.02406
Ag2 -0.31190 -0.06190 0.87500 0.02153
Cu 0.00000 0.25000 0.53470 0.00633
S 0.00000 -0.00100 -0.21250 ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012059
