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#$Date: 2015-09-29 06:35:03 +0100 (Tue, 29 Sep 2015) $
#$Revision: 158899 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/28/1532891.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_1532891
loop_
_publ_author_name
'Minets, Yu.V.'
'Khudolii, V.A.'
'Voroshilov, Yu.V.'
'Pan'ko, V.V.'
_publ_section_title
;
 Phase equilibria in the (Hg Se) - (Hg Br2) -(Hg I2) system and crystal
 structure of Hg3 Se2 Br2 and Hg3 Se2 I2
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              121
_journal_page_last               125
_journal_volume                  365
_journal_year                    2004
_chemical_formula_sum            'Br2 Hg3 Se2'
_chemical_name_systematic        'Hg3 Se2 Br2'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 89.51
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   17.529
_cell_length_b                   9.408
_cell_length_c                   9.775
_cell_volume                     1611.964
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Minets_JALCEU_2004_1359.cif
_cod_data_source_block           Br2Hg3Se2
_cod_database_code               1532891
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z
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
Br3 Br-1 0.1176 0 0.99 1 0.0
Hg5 Hg+2 0.876 0.2236 0.2012 1 0.0
Hg1 Hg+2 0.227 0 0.2145 1 0.0
Se1 Se-2 0.0182 0.2355 0.2451 1 0.0
Br2 Br-1 0.1259 0 0.5224 1 0.0
Hg4 Hg+2 0.75 0.25 0.5 1 0.0
Br4 Br-1 0.3757 0 0.0217 1 0.0
Se2 Se-2 0.7347 0.236 0.246 1 0.0
Br1 Br-1 0.3769 0 0.475 1 0.0
Hg3 Hg+2 0 0.2354 0.5 1 0.0
Hg2 Hg+2 0.5249 0 0.2295 1 0.0