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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/2/10/74/2107400.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_2107400
loop_
_publ_author_name
'Lanfredi, A.M.M.'
'Pellinghelli, M.A.'
'Tiripicchio, A.'
_publ_section_title
;
 The crystal structure of dipotassium hydrogen diiodate(V) chloride
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1822
_journal_page_last               1826
_journal_volume                  28
_journal_year                    1972
_chemical_formula_sum            'Cl H I2 K2 O6'
_chemical_name_systematic        'K2 H (I O3)2 Cl'
_space_group_IT_number           29
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.1
_cell_length_b                   6.594
_cell_length_c                   8.611
_cell_volume                     857.392
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Lanfredi_ACBCAR_1972_118.cif
_cod_data_source_block           H1Cl1I2K2O6
_cod_original_cell_volume        857.3921
_cod_original_formula_sum        'H1 Cl1 I2 K2 O6'
_cod_database_code               2107400
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
-x+1/2,y,z+1/2
x+1/2,-y,z
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
O1 O-2 0.1152 0.1868 0.3203 1 0.0
O3 O-2 0.1944 0.0207 0.0517 1 0.0
O4 O-2 0.4591 0.2646 0.1937 1 0.0
K1 K+1 0.484 0.019 0.4815 1 0.0
O6 O-2 0.5547 0.5528 0.0431 1 0.0
K2 K+1 0.7346 0.4379 -0.0096 1 0.0
I2 I+5 0.5343 0.4926 0.2406 1 0.0
I1 I+5 0.2177 0.0648 0.25 1 0.0
Cl1 Cl-1 0.6239 0.2239 0.7088 1 0.0
O2 O-2 0.2862 0.2882 0.2288 1 0.0
O5 O-2 0.6264 0.3331 0.2929 1 0.0
