#------------------------------------------------------------------------------
#$Date: 2024-05-09 10:47:05 +0200 (Thu, 09 May 2024) $
#$Revision: 291792 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/9/01/12/9011277.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_9011277
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 = 13 K
 Note: dimorphic with stromeyerite
;
_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_structural     CuAgS
_chemical_formula_sum            'Ag Cu S'
_chemical_name_mineral           Stromeyerite
_space_group_IT_number           26
_symmetry_space_group_name_Hall  'P 2c -2'
_symmetry_space_group_name_H-M   'P m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.0431
_cell_length_b                   6.5910
_cell_length_c                   7.9149
_cell_formula_units_Z            4
_cell_volume                     210.917
_database_code_amcsd             0009857
_diffrn_ambient_temperature      13
_exptl_crystal_density_diffrn    6.408
_cod_original_formula_sum        'Cu Ag S'
_cod_database_code               9011277
loop_
_space_group_symop_operation_xyz
x,y,z
x,-y,1/2+z
-x,y,z
-x,-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
Cu1 0.00000 0.56900 0.72000 0.00950
Cu2 0.50000 0.07500 0.73800 0.00810
Ag1 0.00000 -0.05600 0.50000 0.01800
Ag2 0.50000 0.42700 0.96360 0.01500
S1 0.00000 0.20200 0.71200 0.00600
S2 0.50000 0.72200 0.76800 0.07400
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009857
