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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/09/1540979.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_1540979
loop_
_publ_author_name
'Shiozaki, Y.'
'Onodera, A.'
'Yoshida, M.'
'Takahashi, I.'
_publ_section_title
;
 X-ray study of ferroelectric behaviour in the mixed crystals (N H4)2 S O4
 - R2 S O4 (R= K, Rb, Cs)
;
_journal_name_full               Ferroelectrics
_journal_page_first              73
_journal_page_last               77
_journal_volume                  96
_journal_year                    1989
_chemical_formula_sum            'Cs2 O4 S'
_chemical_name_systematic        'Cs2 (S O4)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.218
_cell_length_b                   10.916
_cell_length_c                   6.244
_cell_volume                     560.135
_citation_journal_id_ASTM        FEROA8
_cod_data_source_file            Shiozaki_FEROA8_1989_1389.cif
_cod_data_source_block           Cs2O4S1
_cod_original_cell_volume        560.1348
_cod_original_sg_symbol_Hall     '-P 2ac 2n (-x,z,y)'
_cod_original_formula_sum        'Cs2 O4 S1'
_cod_database_code               1540979
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z
x+1/2,-y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
x-1/2,-y-1/2,z
-x-1/2,y-1/2,z-1/2
x,y,-z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O1 O-2 0.0614 0.4122 0.25 1 0.0
Cs2 Cs+1 0.989 0.7017 0.25 1 0.0
S1 S+6 0.2404 0.4174 0.25 1 0.0
O3 O-2 0.3024 0.3549 0.0574 1 0.0
Cs1 Cs+1 0.6771 0.4095 0.25 1 0.0
O2 O-2 0.2954 0.5454 0.25 1 0.0
