#------------------------------------------------------------------------------
#$Date: 2015-09-08 22:31:35 +0200 (mar 08 de sep de 2015) $
#$Revision: 155367 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/02/1530294.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_1530294
loop_
_publ_author_name
'Liminga, R.'
'Abrahams, S.C.'
'Bernstein, J.L.'
_publ_section_title
;
 Piezoelectric Cs2 S2 O6. Room temperature crystal structure
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              1432
_journal_page_last               1438
_journal_volume                  73
_journal_year                    1980
_chemical_formula_sum            'Cs2 O6 S2'
_chemical_name_systematic        'Cs2 S2 O6'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   6.35658
_cell_length_b                   6.35658
_cell_length_c                   11.5391
_cell_volume                     403.784
_citation_journal_id_ASTM        JCPSA6
_cod_data_source_file            Liminga_JCPSA6_1980_602.cif
_cod_data_source_block           Cs2O6S2
_cod_original_cell_volume        403.7844
_cod_database_code               1530294
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
y,x,z+1/2
-x+y,y,z
-x,-x+y,z+1/2
-y,-x,z
x-y,-y,z+1/2
x,x-y,z
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
Cs1 Cs+1 0 0 0 1 0.0
S2 S+5 0.66667 0.33333 0.90606 1 0.0
O1 O-2 0.7944 0.2056 0.6896 1 0.0
O2 O-2 0.5394 0.4606 0.9365 1 0.0
Cs2 Cs+1 0.66667 0.33333 0.23869 1 0.0
S1 S+5 0.66667 0.33333 0.72346 1 0.0
