#------------------------------------------------------------------------------
#$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1010263.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_1010263
_chemical_name_systematic          'Cadmium hydroxochloride'
_chemical_formula_structural       'Cd (O H) Cl'
_chemical_formula_sum            'Cd Cl H O'
_[local]_cod_chemical_formula_sum_orig 'H Cd Cl O'
_publ_section_title
;
The Crystal Structure of Cadmium Hydroxychloride, Cd O H Cl
;
loop_
_publ_author_name
  'Hoard, J L'
  'Grenko, J D'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    87
_journal_year                      1934
_journal_page_first                110
_journal_page_last                 119
_cell_length_a                     3.66
_cell_length_b                     3.66
_cell_length_c                     10.27
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       119.1
_cell_formula_units_Z              2
_exptl_crystal_density_meas        4.56
_symmetry_space_group_name_H-M     'P 63 m c'
_symmetry_Int_Tables_number        186
_symmetry_cell_setting             hexagonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-y,-x,z'
  'y-x,y,z'
  'x,x-y,z'
  '-x,-y,1/2+z'
  'y,y-x,1/2+z'
  'x-y,x,1/2+z'
  'y,x,1/2+z'
  'x-y,-y,1/2+z'
  '-x,y-x,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cd2+   2.000
  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+   2 b 0.3333 0.6667 0. 1.  0 d
  Cl1   Cl1-   2 b 0.3333 0.6667 0.337(10) 1.  0 d
  O1    O2-    2 a 0. 0. 0.10(1) 1.  1 d
  H1    H1+    2 a -1. -1. -1. 1.  0 dum