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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/13/2101318.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_2101318
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_paper_doi               10.1107/S0108768194013327
_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                   5.7704(3)
_cell_length_b                   10.0712(9)
_cell_length_c                   7.4776(4)
_cell_volume                     434.56(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.70926
_exptl_absorpt_coefficient_mu    2.49
_exptl_crystal_density_diffrn    2.66
_cod_data_source_file            oh0048.cif
_cod_original_formula_sum        'K2 O3 S1'
_cod_database_code               2101318
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 0.08935(6) 0.17398(7) 0.01769(10)
K(2) 0.25 0.79550(5) 0.48915(7) 0.01554(9)
S 0.25 0.41985(5) 0.23295(7) 0.00993(9)
O(1) 0.25 0.4162(3) 0.0368(3) 0.0263(5)
O(2) 0.25 0.5585(2) 0.2976(3) 0.0195(4)
O(3) 0.0412(3) 0.3522(2) 0.3017(2) 0.0222(3)
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) 1.467(2)
S O(2) 1.478(2)
S O(3) 1.477(2)
S K(1) 3.2991(8)
S K(2) 3.5568(4)
O(1) O(2) 2.420(3)
O(1) O(3) 2.407(2)
O(2) O(3) 2.402(2)
O(3) O(3') 2.410(2)