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#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/99/1529982.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1529982
loop_
_publ_author_name
'Gerken, V.A.'
'Pakhomov, V.I.'
_publ_section_title
;
 Roentgenographical study of crystals in system K I-Hg I2-H2 O
;
_journal_name_full
'Zhurnal Strukturnoi Khimii (Issue-No. from 1981)'
_journal_page_first              753
_journal_page_last               754
_journal_volume                  10
_journal_year                    1969
_chemical_formula_sum            'I K'
_chemical_name_systematic        'K I (H2 O)2'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2ac'
_symmetry_space_group_name_H-M   'P c m n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.3
_cell_length_b                   5.29
_cell_length_c                   6.42
_cell_volume                     315.845
_citation_journal_id_ASTM        ZSTKAI
_cod_data_source_file            Gerken_ZSTKAI_1969_229.cif
_cod_data_source_block           I1K1
_cod_original_cell_volume        315.8448
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,y,-x)'
_cod_chemical_formula_sum_orig   'I1 K1'
_cod_database_code               1529982
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y,-z+1/2
-x+1/2,-y+1/2,z+1/2
-x,y+1/2,-z
-x,-y,-z
-x-1/2,y,z-1/2
x-1/2,y-1/2,-z-1/2
x,-y-1/2,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
K1 K+1 0.803 0.25 0.035 1 0.0
I1 I-1 0.083 0.25 0.25 1 0.0