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#$Date: 2016-09-18 20:34:50 +0300 (Sun, 18 Sep 2016) $
#$Revision: 186638 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/77/1527764.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_1527764
loop_
_publ_author_name
'Maroy, K.'
_publ_section_title
;
 The crystal structure of potassium pentathionate hemitrihydrate
;
_journal_name_full
'Acta Chemica Scandinavica (1-27,1973-42,1988)'
_journal_page_first              2580
_journal_page_last               2590
_journal_volume                  25
_journal_year                    1971
_chemical_formula_sum            'H3 K2 O7.5 S5'
_chemical_name_systematic        'K2 (S3 (S O3)2) (H2 O)1.5'
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   20.316
_cell_length_b                   9.229
_cell_length_c                   12.248
_cell_volume                     2296.455
_citation_journal_id_ASTM        ACSAA4
_cod_data_source_file            Maroy_ACSAA4_1971_1191.cif
_cod_data_source_block           H3K2O7.5S5
_cod_original_cell_volume        2296.456
_cod_database_code               1527764
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x,y,-z+1/2
-x,-y,-z
x-1/2,y-1/2,-z-1/2
-x-1/2,y-1/2,z
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
_atom_site_attached_hydrogens
O5 O-2 0.2595 -0.0109 0.1429 1 0.0 0
O7 O-2 0.1311 0.3379 0.4957 1 0.0 2
S1 S+5 0.0514 0.261 -0.019 1 0.0 0
O2 O-2 0.1054 0.3583 -0.0083 1 0.0 0
S2 S 0.0914 0.052 0.0101 1 0.0 0
K1 K+1 0.2619 0.2481 0.4965 1 0.0 0
O4 O-2 0.1981 -0.1644 0.2685 1 0.0 0
O6 O-2 0.2694 0.0195 0.3359 1 0.0 0
S5 S+5 0.2286 -0.0269 0.2496 1 0.0 0
O3 O-2 0.0272 0.2442 -0.126 1 0.0 0
S4 S 0.1522 0.128 0.2506 1 0.0 0
S3 S 0.0774 0.0242 0.1721 1 0.0 0
O1 O-2 -0.0013 0.2801 0.06 1 0.0 0
O8 O-2 0 0.43 0.25 1 0.0 2
K2 K+1 0.3944 0.1224 0.2165 1 0.0 0
