#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/10/1001025.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1001025
_chemical_name_systematic          'Sodium tetrachlorocadmate trihydrate'
_chemical_formula_structural       'Na2 Cd Cl4 (H2 O)3'
_chemical_formula_sum            'Cd Cl4 H6 Na2 O3'
_[local]_cod_chemical_formula_sum_orig 'H6 Cd Cl4 Na2 O3'
_publ_section_title
;
Structure cristalline du sel mixte Cd Cl~2~ (Na Cl)~2~ (H~2~ O)~3~
;
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_[local]_cod_cif_authors_sg_H-M  'R -3 m H'
loop_
_publ_author_name
  'Boistelle, R'
  'Pepe, G'
  'Simon, B'
  'Leclaire, A'
_journal_name_full                 'Acta Crystallographica B (24,1968-38,1982)'
_journal_coden_ASTM                ACBCAR
_journal_volume                    30
_journal_year                      1974
_journal_page_first                2200
_journal_page_last                 2203
_cell_length_a                     7.89(2)
_cell_length_b                     7.89(2)
_cell_length_c                     26.52(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       1429.7
_cell_formula_units_Z              6
_exptl_crystal_density_meas        2.44(6)
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-y,-x,z'
  'x,x-y,z'
  'y-x,y,z'
  '-x,-y,-z'
  'y,y-x,-z'
  'x-y,x,-z'
  'y,x,-z'
  '-x,y-x,-z'
  'x-y,-y,-z'
  '1/3+x,2/3+y,2/3+z'
  '2/3+x,1/3+y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-y,2/3-x,2/3+z'
  '2/3-y,1/3-x,1/3+z'
  '1/3+x,2/3+x-y,2/3+z'
  '2/3+x,1/3+x-y,1/3+z'
  '1/3-x+y,2/3+y,2/3+z'
  '2/3-x+y,1/3+y,1/3+z'
  '1/3-x,2/3-y,2/3-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+x-y,2/3+x,2/3-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+y,2/3+x,2/3-z'
  '2/3+y,1/3+x,1/3-z'
  '1/3-x,2/3-x+y,2/3-z'
  '2/3-x,1/3-x+y,1/3-z'
  '1/3+x-y,2/3-y,2/3-z'
  '2/3+x-y,1/3-y,1/3-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cd2+   2.000
  Na1+   1.000
  Cl1-  -1.000
  O2-   -2.000
  H1+    1.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Cd1   Cd2+   3 a 0. 0. 0. 1.  0 d
  Cd2   Cd2+   9 e 0.5 0. 0. 0.333  0 d
  Na1   Na1+   9 e 0.5 0. 0. 0.666  0 d
  Cl1   Cl1-  18 h 0.5 0. 0.3889(2) 1.  0 d
  Cl2   Cl1-   6 c 0. 0. 0.3889(2) 1.  0 d
  Na2   Na1+   6 c 0. 0. 0.825(2) 1.  0 d
  O1    O2-   18 h 0.5 0. 0.195(2) 1.  0 d
  H1    H1+   36 i -1. -1. -1. 1.  0 dum
_refine_ls_R_factor_all            0.148
_cod_database_code 1001025