#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/80/9008049.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9008049
loop_
_publ_author_name
'Zachariasen, W. H.'
_publ_section_title
;
 The atomic arrangement in potassium trithionate crystals K2S3O6 and the
 structure of the trithionate radical (S3O6)-2
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              529
_journal_page_last               537
_journal_volume                  89
_journal_year                    1934
_chemical_formula_structural     K2S3O6
_chemical_formula_sum            'K2 O6 S3'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.77
_cell_length_b                   13.63
_cell_length_c                   5.76
_cell_formula_units_Z            4
_cell_volume                     767.031
_exptl_crystal_density_diffrn    2.341
_cod_original_formula_sum        'K2 S3 O6'
_cod_database_code               9008049
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,y,1/2-z
-x,-y,1/2+z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,1/2-y,z
1/2-x,1/2+y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
K1 0.13100 0.08900 0.25000
K2 0.18100 -0.23600 0.25000
S1 0.03300 0.31900 0.25000
S2 0.08300 0.47200 0.25000
S3 0.30600 0.47200 0.25000
O1 -0.12500 0.30600 0.25000
O2 0.34700 0.58300 0.25000
O3 0.08300 0.27800 0.04200
O4 0.36100 0.41700 0.04200
_cod_duplicate_entry 1010244
