#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/60/9016014.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_9016014
loop_
_publ_author_name
'Averbuch-Pouchot M'
_publ_section_title
;
 Structure cristalline d'un Dihydrogeno-sulphato-iodate de Potassium
 _cod_database_code 1008184
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              262
_journal_page_last               265
_journal_paper_doi               10.1016/0022-4596(82)90144-X
_journal_volume                  41
_journal_year                    1982
_chemical_formula_sum            'I K2 O7 S'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.16
_cell_angle_gamma                90
_cell_length_a                   13.84
_cell_length_b                   7.173
_cell_length_c                   7.443
_cell_formula_units_Z            4
_cell_volume                     737.775
_database_code_amcsd             0016121
_exptl_crystal_density_diffrn    3.143
_cod_duplicate_entry             1008184
_cod_original_formula_sum        'I K2 S O7'
_cod_database_code               9016014
_amcsd_formula_title             'H2 I2 K4 O14 S2'
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
I1 0.04771 0.13948 0.19249
K1 0.08100 0.38510 0.66800
K2 0.32110 0.15860 0.40070
S1 0.34190 0.35000 0.92420
O1 0.17470 0.06100 0.13490
O2 0.07960 0.36500 0.28230
O3 0.50740 0.29780 0.46660
O4 0.37560 0.28700 0.74620
O5 0.38920 0.23660 0.06730
O6 0.23560 0.32520 0.92020
O7 0.13290 0.04830 0.54890
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0016121
