#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1010209.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_1010209
_chemical_name_systematic          'Caesium nonachlorodithallate'
_chemical_formula_structural       'Cs3 Tl2 Cl9'
_chemical_formula_sum              'Cl9 Cs3 Tl2'
_publ_section_title
;
Complex-anion Formation by Tervalent Elements: The Structure of Caesium
Thallic Enneachloride
;
loop_
_publ_author_name
  'Powell, H M'
  'Wells, A F'
_journal_name_full                 'Journal of the Chemical Society'
_journal_coden_ASTM                JCSOA9
_journal_volume                    1935
_journal_year                      1935
_journal_page_first                1008
_journal_page_last                 1012
_cell_length_a                     9.58
_cell_length_b                     9.58
_cell_length_c                     9.58
_cell_angle_alpha                  83.93
_cell_angle_beta                   83.93
_cell_angle_gamma                  83.93
_cell_volume                       865.4
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'R -3 c RS'
_symmetry_Int_Tables_number        167
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'z,x,y'
  'y,z,x'
  '-y,-x,-z'
  '-x,-z,-y'
  '-z,-y,-x'
  '1/2-x,1/2-y,1/2-z'
  '1/2-y,1/2-z,1/2-x'
  '1/2-z,1/2-x,1/2-y'
  '1/2+y,1/2+x,1/2+z'
  '1/2+x,1/2+z,1/2+y'
  '1/2+z,1/2+y,1/2+x'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cs1+   1.000
  Cl1-  -1.000
  Tl3+   3.000
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+   6 e 0.6667 -0.6667 0. 1.  0 d
  Cl1   Cl1-   6 e 0.1667 -0.1667 0. 1.  0 d
  Cl2   Cl1-  12 f 0.3333 0.1667 0. 1.  0 d
  Tl1   Tl3+   4 c 0.1 0.1 0.1 1.  0 d