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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/1/53/63/1536375.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_1536375
loop_
_publ_author_name
'Pakhomov, V.I.'
'Goryunov, A.V.'
'Boguslavskii, A.A.'
'Lotfullin, R.Sh.'
'Ivanova-Korfini, I.N.'
_publ_section_title
;
 Refinement of Hg Br2 structure
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              2476
_journal_page_last               2478
_journal_volume                  35
_journal_year                    1990
_chemical_formula_sum            'Br2 Hg'
_chemical_name_systematic        'Hg Br2'
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.628
_cell_length_b                   6.802
_cell_length_c                   12.476
_cell_volume                     392.740
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Pakhomov_ZNOKAQ_1990_1048.cif
_cod_data_source_block           Br2Hg1
_cod_original_cell_volume        392.7402
_cod_original_formula_sum        'Br2 Hg1'
_cod_database_code               1536375
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
-x,y,z
x,-y,z+1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
-x+1/2,y+1/2,z
x+1/2,-y+1/2,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 0.1687 0.4959 1 0.0
Br2 Br-1 0.5 0.4006 0.3654 1 0.0
Br1 Br-1 0.5 0.0637 0.1267 1 0.0
