#------------------------------------------------------------------------------
#$Date: 2009-05-13 21:45:18 +0300 (Wed, 13 May 2009) $
#$Revision: 720 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1010073.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_1010073
_chemical_name_systematic          'CAESIUM DICHLOROIODATE(I)'
_chemical_formula_structural       'CS I CL2'
_chemical_formula_sum              'Cl2 Cs I'
_publ_section_title
;
The Crystal Structure of Cesium Dichloro-Iodide
;
loop_
_publ_author_name                  'Wyckoff, R W G'
_journal_name_full                 'Journal of the American Chemical Society'
_journal_coden_ASTM                JACSAT
_journal_volume                    42
_journal_year                      1920
_journal_page_first                1100
_journal_page_last                 1116
_cell_length_a                     4.06
_cell_length_b                     4.06
_cell_length_c                     4.06
_cell_angle_alpha                  98.37
_cell_angle_beta                   98.37
_cell_angle_gamma                  98.37
_cell_volume                       64.5
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'R -3 m R'
_symmetry_Int_Tables_number        166
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'y,x,z'
  'y,z,x'
  'x,z,y'
  'z,x,y'
  'z,y,x'
  '-x,-y,-z'
  '-y,-x,-z'
  '-y,-z,-x'
  '-x,-z,-y'
  '-z,-x,-y'
  '-z,-y,-x'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cs1+   1.000
  I1+    1.000
  Cl1-  -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
  Cs1   Cs1+   1 a 0. 0. 0. 1.  0 d
  I1    I1+    1 b 0.5 0.5 0.5 1.  0 d
  Cl1   Cl1-   2 c 0.312 0.312 0.312 1.  0 d