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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/1/52/99/1529984.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_1529984
loop_
_publ_author_name
'Gerken, V.A.'
'Pakhomov, V.I.'
_publ_section_title
;
 Roentgenographical study of cristals 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            'Hg I4 K2'
_chemical_name_systematic        'K2 Hg I4 (H2 O)3'
_space_group_IT_number           159
_symmetry_space_group_name_Hall  'P 3 -2c'
_symmetry_space_group_name_H-M   'P 3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   11.67
_cell_length_b                   11.67
_cell_length_c                   7.48
_cell_volume                     882.214
_citation_journal_id_ASTM        ZSTKAI
_cod_data_source_file            Gerken_ZSTKAI_1969_244.cif
_cod_data_source_block           Hg1I4K2
_cod_original_formula_sum        'Hg1 I4 K2'
_cod_database_code               1529984
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,z+1/2
-x,-x+y,z+1/2
x-y,-y,z+1/2
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
Hg1 Hg+2 0.3333 0.6666 0 1 0.0
K1 K+1 0 0 0.025 1 0.0
I1 I-1 0.3333 0.6666 0.5 1 0.0
K2 K+1 0 0 0.26 1 0.0
I2 I-1 0.3 0.433 0.016 1 0.0
