#------------------------------------------------------------------------------
#$Date: 2024-05-06 10:39:41 +0300 (Mon, 06 May 2024) $
#$Revision: 291735 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/92/9009214.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9009214
loop_
_publ_author_name
'Wyckoff, R. W. G.'
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_journal_name_full               'Crystal Structures'
_journal_page_first              308
_journal_page_last               309
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     Hg(Cl,Br)2
_chemical_formula_sum            'Br Cl Hg'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.10
_cell_length_b                   13.17
_cell_length_c                   6.78
_cell_formula_units_Z            4
_cell_volume                     366.100
_database_code_amcsd             0011893
_exptl_crystal_density_diffrn    5.732
_cod_original_formula_sum        'Hg (Cl Br)'
_cod_database_code               9009214
_amcsd_formula_title             Hg(Cl,Br)2
loop_
_space_group_symop_operation_xyz
x,y,z
-x,1/2+y,1/2-z
1/2+x,1/2-y,-z
1/2-x,-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hg 0.05600 0.37200 0.08600 1.00000
Cl1 0.41800 0.50000 0.00000 0.50000
Br1 0.41800 0.50000 0.00000 0.50000
Cl2 0.80500 0.72800 0.83300 0.50000
Br2 0.80500 0.72800 0.83300 0.50000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0011893
