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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/8/10/36/8103629.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_8103629
loop_
_publ_author_name
'Kahle, A.'
'Winkler, B.'
'Griewatsch, C.'
'Milman, V.'
_publ_section_title
;
 Experimental and theoretical high pressure study of beta(Cs2 S O4)
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              17
_journal_page_last               22
_journal_volume                  215
_journal_year                    2000
_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                   8.4114
_cell_length_b                   11.0702
_cell_length_c                   6.3766
_cell_volume                     593.763
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Kahle_ZEKRDZ_2000_806.cif
_cod_data_source_block           Cs2O4S1
_cod_original_cell_volume        593.7627
_cod_original_sg_symbol_Hall     '-P 2ac 2n (-x,z,y)'
_cod_original_formula_sum        'Cs2 O4 S1'
_cod_database_code               8103629
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 0.0656 0.4138 0.25 1 0.0
O2 O-2 0.2999 0.5423 0.25 1 0.0
O3 O-2 0.3019 0.3532 0.0603 1 0.0
Cs2 Cs+1 -0.0087 0.6968 0.25 1 0.0
S1 S+6 0.2411 0.4138 0.25 1 0.0
Cs1 Cs+1 0.67138 0.41063 0.25 1 0.0
