#------------------------------------------------------------------------------
#$Date: 2011-09-10 06:16:28 +0300 (Sat, 10 Sep 2011) $
#$Revision: 25271 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2101319.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2101319
loop_
_publ_author_name
'Ojima, K.'
'Nishihata, Y.'
'Sawada, A.'
_publ_section_title
;
 Structure of potassium sulfate at temperatures from 296 K down to 15 K
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              287
_journal_page_last               293
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'K2 O3 S1'
_chemical_formula_sum            'K2 O3 S'
_chemical_formula_weight         158
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2n -2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   5.7503(4)
_cell_length_b                   10.0395(6)
_cell_length_c                   7.4513(7)
_cell_volume                     430.16(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.70926
_exptl_absorpt_coefficient_mu    2.51
_exptl_crystal_density_diffrn    2.69
_[local]_cod_data_source_file    oh0048.cif
_[local]_cod_data_source_block   oh0048b
_[local]_cod_chemical_formula_sum_orig 'K2 O3 S1'
_cod_original_cell_volume        430.16(5)
_cod_database_code               2101319
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
K(1) 0.25 0.08941(4) 0.17280(5) 0.01111(7)
K(2) 0.25 0.79627(4) 0.48904(5) 0.00964(7)
S 0.25 0.41993(4) 0.23271(6) 0.00590(7)
O(1) 0.25 0.4171(2) 0.0360(2) 0.0164(3)
O(2) 0.25 0.55910(10) 0.2981(2) 0.0123(3)
O(3) 0.0406(2) 0.35200(10) 0.3015(2) 0.0141(2)
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
O(1) S O(2)
O(1) S O(3)
O(2) S O(3)
O(3) S O(3')
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
S O(1) 1.466(2)
S O(2) 1.480(2)
S O(3) 1.4760(10)
S K(1) 3.2806(7)
S K(2) 3.5409(4)
O(1) O(2) 2.419(2)
O(1) O(3) 2.407(2)
O(2) O(3) 2.403(2)
O(3) O(3') 2.409(2)