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#$Date: 2024-05-09 11:47:05 +0300 (Thu, 09 May 2024) $
#$Revision: 291792 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/12/9011275.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_9011275
loop_
_publ_author_name
'Baker, C. L.'
'Lincoln, F. J.'
'Johnson, A. W. S.'
_publ_section_title
;
 A low-temperature structural phase transformation in CuAgS
 Sample: T = 298 K
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              891
_journal_page_last               899
_journal_paper_doi               10.1107/S0108768191008340
_journal_volume                  47
_journal_year                    1991
_chemical_compound_source        'Gowganda, Ontario, Canada'
_chemical_formula_sum            'Ag Cu S'
_chemical_name_mineral           Stromeyerite
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.059
_cell_length_b                   6.617
_cell_length_c                   7.967
_cell_formula_units_Z            4
_cell_volume                     213.981
_database_code_amcsd             0009855
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    6.316
_cod_original_formula_sum        'Cu Ag S'
_cod_database_code               9011275
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,z
1/2-x,1/2+y,z
-x,-y,1/2+z
1/2-x,1/2-y,1/2+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
Cu 0.01570 0.03140 0.03330 0.00000 0.00000 -0.01000
Ag 0.03600 0.14400 0.03610 0.00000 0.00000 -0.04830
S 0.01350 0.01560 0.03200 0.00000 0.00000 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu 0.00000 0.43280 0.24860
Ag 0.50000 0.49500 0.50000
S 0.50000 0.28590 0.24840
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009855
