#------------------------------------------------------------------------------
#$Date: 2023-04-06 15:31:51 +0300 (Thu, 06 Apr 2023) $
#$Revision: 282478 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/03/1010303.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
loop_
_publ_author_name
'Haegg, G.'
_publ_section_title
;
 Die Kristallstruktur von Caesiumdithionat, Cs₂S₂O₆
;
_journal_coden_ASTM              ZPCBAL
_journal_name_full
;
Zeitschrift für Physikalische Chemie, Abteilung B: Chemie der
Elementarprozesse, Aufbau der Materie
;
_journal_page_first              327
_journal_page_last               342
_journal_volume                  18
_journal_year                    1932
_chemical_formula_structural     'Cs2 S2 O6'
_chemical_formula_sum            'Cs2 O6 S2'
_chemical_name_systematic        'Caesium duo-disulfate'
_space_group_IT_number           190
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      190
_symmetry_space_group_name_Hall  'P -6c -2c'
_symmetry_space_group_name_H-M   'P -6 2 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   6.326
_cell_length_b                   6.326
_cell_length_c                   11.535
_cell_volume                     399.8
_database_code_amcsd             0017229
_exptl_crystal_density_diffrn    3.539
_cod_database_code               1010303
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_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
loop_
_atom_type_symbol
_atom_type_oxidation_number
Cs1+ 1.000
S5+ 5.000
O2- -2.000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0017229
