#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1010303.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_1010303
_chemical_name_systematic          'Caesium duo-disulfate'
_chemical_formula_structural       'Cs2 S2 O6'
_chemical_formula_sum              'Cs2 O6 S2'
_publ_section_title
;
Die Kristallstruktur von Caesiumdithionat, Cs~2~ S~2~ O~6~
;
loop_
_publ_author_name                  'Haegg, G'
_journal_name_full
;
Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der
Elementarprozesse, Aufbau der Materie
;
_journal_coden_ASTM                ZPCBAL
_journal_volume                    18
_journal_year                      1932
_journal_page_first                327
_journal_page_last                 342
_cell_length_a                     6.326
_cell_length_b                     6.326
_cell_length_c                     11.535
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       399.8
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P -6 2 c'
_symmetry_Int_Tables_number        190
_symmetry_cell_setting             hexagonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  'x,y,1/2-z'
  '-y,x-y,1/2-z'
  'y-x,-x,1/2-z'
  'y,x,1/2+z'
  'x-y,-y,1/2+z'
  '-x,y-x,1/2+z'
  'y,x,-z'
  'x-y,-y,-z'
  '-x,y-x,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cs1+   1.000
  S5+    5.000
  O2-   -2.000
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+   2 a 0. 0. 0. 1.  0 d
  Cs2   Cs1+   2 c 0.3333 0.6667 0.25 1.  0 d
  S1    S5+    4 f 0.3333 0.6667 0.73 1.  0 d
  O1    O2-   12 i 0.44 0.3333 0.125 1.  0 d
_cod_database_code 1010303