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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/1/54/19/1541982.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_1541982
loop_
_publ_author_name
'Foss, O.'
'Johnson, K.'
_publ_section_title
;
 The crystal structure of potassium barium hexathionate
;
_journal_name_full
'Acta Chemica Scandinavica (1-27,1973-42,1988)'
_journal_page_first              2207
_journal_page_last               2218
_journal_volume                  19
_journal_year                    1965
_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                 112
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.58
_cell_length_b                   10.81
_cell_length_c                   9.14
_cell_volume                     1060.831
_citation_journal_id_ASTM        ACSAA4
_cod_data_source_file            Foss_ACSAA4_1965_1017.cif
_cod_data_source_block           Ba1K2O12S12
_cod_original_formula_sum        'Ba1 K2 O12 S12'
_cod_database_code               1541982
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
K1 K+1 0.5 0 0.5 1 0.0
S4 S+1 0.401 0.351 0.551 1 0.0
K2 K+1 0 0.45 0.25 1 0.0
S1 S+1 0.138 0.274 0.044 1 0.0
O2 O-2 0.086 0.227 0.158 1 0.0
S6 S+1 0.254 0.11 0.577 1 0.0
S2 S+1 0.332 0.284 0.162 1 0.0
S5 S+1 0.246 0.303 0.593 1 0.0
O1 O-2 0.133 0.183 -0.074 1 0.0
O4 O-2 0.358 0.066 0.721 1 0.0
O5 O-2 0.257 0.071 0.426 1 0.0
O3 O-2 0.105 0.397 -0.008 1 0.0
Ba1 Ba+2 0 0.0176 0.25 1 0.0
S3 S+1 0.348 0.418 0.327 1 0.0
O6 O-2 0.14 0.08 0.593 1 0.0
