#------------------------------------------------------------------------------
#$Date: 2024-05-23 11:45:01 +0200 (Thu 23 de May de 2024) $
#$Revision: 292002 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/51/9015140.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_9015140
loop_
_publ_author_name
'Elliott, N.'
'Pauling, L.'
_publ_section_title
;
 The Crystal Structure of Cesium Aurous Auric Chloride, Vs2 Au Au
 Cl6, and Cesium Argentous Auric Chloride, Cs2 Ag Au Cl6
 _cod_database_code 1010201
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1846
_journal_page_last               1851
_journal_paper_doi               10.1021/ja01275a037
_journal_volume                  60
_journal_year                    1938
_chemical_formula_sum            'Au Cl3 Cs'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.49
_cell_length_b                   7.49
_cell_length_c                   10.87
_cell_formula_units_Z            4
_cell_volume                     609.808
_database_code_amcsd             0017137
_exptl_crystal_density_diffrn    4.752
_cod_duplicate_entry             1010201
_cod_original_formula_sum        'Au Cs Cl3'
_cod_database_code               9015140
_amcsd_formula_title             'Au2 Cl6 Cs2'
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
-y,-x,z
1/2-y,1/2-x,1/2+z
y,x,-z
1/2+y,1/2+x,1/2-z
y,-x,-z
1/2+y,1/2-x,1/2-z
-y,x,z
1/2-y,1/2+x,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
x,y,-z
1/2+x,1/2+y,1/2-z
-x,-y,z
1/2-x,1/2-y,1/2+z
y,x,z
1/2+y,1/2+x,1/2+z
-y,-x,-z
1/2-y,1/2-x,1/2-z
-y,x,-z
1/2-y,1/2+x,1/2-z
y,-x,z
1/2+y,1/2-x,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
-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
Au1 0.00000 0.00000 0.00000
Au2 0.00000 0.00000 0.50000
Cs1 0.00000 0.50000 0.25000
Cl1 0.00000 0.00000 0.28800
Cl2 0.22800 0.22800 0.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0017137
