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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/1/52/48/1524890.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_1524890
loop_
_publ_author_name
'Maroy, K.'
_publ_section_title
;
 Refinement of the crystal structure of potassium barium hexathionate
;
_journal_name_full
'Acta Chemica Scandinavica (1-27,1973-42,1988)'
_journal_page_first              1684
_journal_page_last               1694
_journal_volume                  27
_journal_year                    1973
_chemical_formula_sum            'Ba K2 O12 S12'
_chemical_name_systematic        'K2 Ba (S6 O6)2'
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.93
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.591
_cell_length_b                   10.835
_cell_length_c                   9.145
_cell_volume                     1065.402
_citation_journal_id_ASTM        ACSAA4
_cod_data_source_file            Maroy_ACSAA4_1973_1506.cif
_cod_data_source_block           Ba1K2O12S12
_cod_original_formula_sum        'Ba1 K2 O12 S12'
_cod_database_code               1524890
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-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
O6 O-2 0.25668 0.07982 0.42586 1 0.0
O2 O-2 0.13175 0.18877 -0.07952 1 0.0
S3 S 0.34815 0.42062 0.32588 1 0.0
Ba1 Ba+2 0 0.01396 0.25 1 0.0
O5 O-2 0.13276 0.07734 0.58622 1 0.0
K2 K+1 0 0.44987 0.25 1 0.0
S1 S+6 0.13933 0.27403 0.0447 1 0.0
S2 S-1 0.33447 0.28355 0.16708 1 0.0
S6 S+6 0.25238 0.10984 0.57818 1 0.0
S5 S-1 0.24695 0.30389 0.59363 1 0.0
K1 K+1 0.5 0 0.5 1 0.0
O4 O-2 0.36031 0.06818 0.7072 1 0.0
O1 O-2 0.10136 0.39894 -0.005 1 0.0
S4 S 0.40178 0.34854 0.54946 1 0.0
O3 O-2 0.08578 0.22999 0.15501 1 0.0
