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#$Date: 2014-07-12 11:06:43 +0300 (Sat, 12 Jul 2014) $
#$Revision: 120115 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/41/9014145.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_9014145
loop_
_publ_author_name
'Havighurst, R.'
_publ_section_title
;
 Parameters in crystal structure. The mercurouos halides
 _cod_database_code 1011077
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2113
_journal_page_last               2131
_journal_volume                  48
_journal_year                    1926
_chemical_formula_sum            'Br Hg'
_chemical_name_mineral           Kuzminite
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.66
_cell_length_b                   4.66
_cell_length_c                   11.12
_cell_volume                     241.477
_database_code_amcsd             0017975
_exptl_crystal_density_diffrn    7.715
_[local]_cod_chemical_formula_sum_orig 'Hg Br'
_cod_database_code               9014145
loop_
_space_group_symop_operation_xyz
x,y,z
-y,-x,z
y,x,-z
1/2+y,1/2-x,1/2-z
1/2-y,1/2+x,1/2+z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
x,y,-z
-x,-y,z
y,x,z
-y,-x,-z
1/2-y,1/2+x,1/2-z
1/2+y,1/2-x,1/2+z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Hg1 0.00000 0.00000 0.11600
Br1 0.00000 0.00000 0.34700
_journal_paper_doi 10.1021/ja01419a016