#------------------------------------------------------------------------------
#$Date: 2022-09-28 16:56:03 +0300 (Wed, 28 Sep 2022) $
#$Revision: 278244 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/56/2105673.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_2105673
loop_
_publ_author_name
'Bagautdinov, Bagautdin'
'Pilz, Katrin'
'Ludecke, Jens'
'van Smaalen, Sander'
_publ_section_title
;
 Modulated structures of Cs₂HgCl₄: the 5a superstructure at
 185 K and the 3c superstructure at 176 K
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              886
_journal_page_last               895
_journal_paper_doi               10.1107/S0108768199008071
_journal_volume                  55
_journal_year                    1999
_chemical_formula_sum            'Cl4 Cs2 Hg'
_chemical_formula_weight         608.2
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.789(3)
_cell_length_b                   7.541(3)
_cell_length_c                   13.418(3)
_cell_volume                     990.5(5)
_diffrn_radiation_type           multicolumn
_diffrn_radiation_wavelength     .71073
_cod_data_source_file            se0279.cif
_cod_data_source_block           3c
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      'P nma'
_cod_database_code               2105673
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x+1/2,-y,z+1/2
3 x+1/2,-y+1/2,-z+1/2
4 -x,y+1/2,-z
5 -x,-y,-z
6 x+1/2,y,-z+1/2
7 -x+1/2,y+1/2,z+1/2
8 x,-y+1/2,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cs(1) .61947(10) .25 .59542(9)
Cs(2) -.01382(7) .25 .32056(5)
Hg .21391(4) .25 .57583(3)
Cl(1) -.0317(4) .25 .5839(3)
Cl(2) .3270(4) .25 .4104(2)
Cl(3) .3159(3) -.0071(4) .6601(4)
