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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/66/1536667.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_1536667
loop_
_publ_author_name
'Kiriyama, Ryôiti'
'Ibamoto, Hideko'
_publ_section_title
;
 Dielectric behaviour of hydrated crystals. II. Potassium mercury(II)
 chloride monohydrate and ammonium mercury(II) chloride monohydrate
;
_journal_issue                   6
_journal_name_full               'Bulletin of the Chemical Society of Japan'
_journal_page_first              317
_journal_page_last               322
_journal_paper_doi               10.1246/bcsj.27.317
_journal_volume                  27
_journal_year                    1954
_chemical_formula_sum            'Cl4 Hg K2'
_chemical_name_systematic        'K2 Hg Cl4'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.3
_cell_length_b                   11.6
_cell_length_c                   8.9
_cell_volume                     856.892
_citation_journal_id_ASTM        BCSJA8
_cod_data_source_file            Kiriyama_BCSJA8_1954_511.cif
_cod_data_source_block           Cl4Hg1K2
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'Cl4 Hg1 K2'
_cod_database_code               1536667
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
-x-1/2,y-1/2,z
x-1/2,-y-1/2,z-1/2
x,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
K2 K+1 0.5 0 0 1 0.0
Cl2 Cl-1 0.25 0.44 0.25 1 0.0
K1 K+1 0 0 0 1 0.0
Cl1 Cl-1 0.75 0.06 0.25 1 0.0
Cl3 Cl-1 0.25 0.19 0 1 0.0
Hg1 Hg+2 0.4 0.22 0.25 1 0.0
