#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/42/4344291.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_4344291
loop_
_publ_author_name
'Foust, A.S.'
'Janickis, V.'
_publ_section_title
;
 The Selenotrithionate Dianion: Crystal and Molecular Structure of K2 Se
 S2 O6
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1063
_journal_page_last               1064
_journal_volume                  19
_journal_year                    1980
_chemical_formula_sum            'K2 O6 S2 Se'
_chemical_name_systematic        'K2 Se S2 O6'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.418
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.5032
_cell_length_b                   5.9375
_cell_length_c                   15.3132
_cell_volume                     809.765
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Foust_INOCAJ_1980_608.cif
_cod_data_source_block           K2O6S2Se1
_cod_original_cell_volume        809.7649
_cod_original_formula_sum        'K2 O6 S2 Se1'
_cod_database_code               4344291
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,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
O4 O-2 0.73423 0.4558 0.313 1 0.0
O2 O-2 0.66425 0.1642 0.01018 1 0.0
S2 S+6 0.80887 0.23982 0.32647 1 0.0
O5 O-2 0.70942 0.0579 0.3297 1 0.0
O6 O-2 0.95016 0.2345 0.40221 1 0.0
O1 O-2 0.53971 0.2315 0.12288 1 0.0
K1 K+1 0.22067 0.2352 0.03267 1 0.0
O3 O-2 0.67639 0.5301 0.08192 1 0.0
Se1 Se-2 0.87403 0.16812 0.2009 1 0.0
S1 S+6 0.66132 0.29083 0.09046 1 0.0
K2 K+1 0.44688 0.27813 0.31912 1 0.0
