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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/09/1530987.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_1530987
loop_
_publ_author_name
'Weber, H.J.'
'Schulz, M.'
'Schmitz, S.'
'Granzin, J.'
'Siegert, H.'
_publ_section_title
;
 Determination and structural application of anisotropic bond
 polarisabilities in complex crystals
;
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              8543
_journal_page_last               8557
_journal_volume                  1
_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                   8.239
_cell_length_b                   10.937
_cell_length_c                   6.256
_cell_volume                     563.728
_citation_journal_id_ASTM        JCOMEL
_cod_data_source_file            Weber_JCOMEL_1989_1924.cif
_cod_data_source_block           Cs2O4S1
_cod_original_cell_volume        563.7278
_cod_original_sg_symbol_Hall     '-P 2ac 2n (-x,z,y)'
_cod_original_formula_sum        'Cs2 O4 S1'
_cod_database_code               1530987
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
O2 O-2 0.2977 0.5454 0.25 1 0.0
O3 O-2 0.3039 0.3554 0.0576 1 0.0
Cs1 Cs+1 0.67704 0.40941 0.25 1 0.0
S1 S+6 0.2406 0.41726 0.25 1 0.0
Cs2 Cs+1 -0.01123 0.70145 0.25 1 0.0
O1 O-2 0.0626 0.4133 0.25 1 0.0
