#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/51/9015100.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_9015100
loop_
_publ_author_name
'Boistelle, R.'
'Pepe, G.'
'Simon, B.'
'Leclaire, A.'
_publ_section_title
;
 Structure cristalline du sel mixte CdCl2(NaCl)2(H2O)3
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2200
_journal_page_last               2203
_journal_paper_doi               10.1107/S056774087400673X
_journal_volume                  30
_journal_year                    1974
_chemical_formula_sum            'Cd1.999 Cl8 Na3.998 O6'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   7.89
_cell_length_b                   7.89
_cell_length_c                   26.52
_cell_formula_units_Z            3
_cell_volume                     1429.744
_database_code_amcsd             0009514
_exptl_crystal_density_diffrn    2.426
_cod_duplicate_entry             1001025
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Cd1.999 Na3.998 Cl8 O6'
_cod_database_code               9015100
_amcsd_formula_title             CdCl2(NaCl)2(H2O)3
loop_
_space_group_symop_operation_xyz
x,y,z
2/3+x,1/3+y,1/3+z
1/3+x,2/3+y,2/3+z
x,x-y,z
2/3+x,1/3+x-y,1/3+z
1/3+x,2/3+x-y,2/3+z
y,x,-z
2/3+y,1/3+x,1/3-z
1/3+y,2/3+x,2/3-z
-x+y,y,z
2/3-x+y,1/3+y,1/3+z
1/3-x+y,2/3+y,2/3+z
-x,-x+y,-z
2/3-x,1/3-x+y,1/3-z
1/3-x,2/3-x+y,2/3-z
-y,-x,z
2/3-y,1/3-x,1/3+z
1/3-y,2/3-x,2/3+z
x-y,-y,-z
2/3+x-y,1/3-y,1/3-z
1/3+x-y,2/3-y,2/3-z
y,-x+y,-z
2/3+y,1/3-x+y,1/3-z
1/3+y,2/3-x+y,2/3-z
-x+y,-x,z
2/3-x+y,1/3-x,1/3+z
1/3-x+y,2/3-x,2/3+z
-x,-y,-z
2/3-x,1/3-y,1/3-z
1/3-x,2/3-y,2/3-z
-y,x-y,z
2/3-y,1/3+x-y,1/3+z
1/3-y,2/3+x-y,2/3+z
x-y,x,-z
2/3+x-y,1/3+x,1/3-z
1/3+x-y,2/3+x,2/3-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cd1 0.00000 0.00000 0.00000 1.00000
Cd2 0.50000 0.00000 0.00000 0.33300
Na1 0.50000 0.00000 0.00000 0.66600
Cl1 0.50000 0.00000 0.38890 1.00000
Cl2 0.00000 0.00000 0.38890 1.00000
Na2 0.00000 0.00000 0.82500 1.00000
O1 0.50000 0.00000 0.19500 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009514
