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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/38/8103868.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_8103868
loop_
_publ_author_name
'Scholten, M.'
'Dronskowski, R.'
_publ_section_title
;
 Crystal structure of indium magnesium tribromide, In Mg Br3
;
_journal_name_full
;
Zeitschrift fuer Kristallographie - New Crystal Structures
;
_journal_page_first              5
_journal_page_last               5
_journal_volume                  212
_journal_year                    1997
_chemical_formula_sum            'Br3 In Mg'
_chemical_name_systematic        'In Mg Br3'
_space_group_IT_number           62
_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                   9.4395
_cell_length_b                   3.9538
_cell_length_c                   15.3744
_cell_volume                     573.802
_citation_journal_id_ASTM        ZKNSFT
_cod_data_source_file            Scholten_ZKNSFT_1997_1950.cif
_cod_data_source_block           Br3In1Mg1
_cod_original_cell_volume        573.8018
_cod_original_formula_sum        'Br3 In1 Mg1'
_cod_database_code               8103868
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-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
Mg1 Mg+2 0.1619 0.25 0.4457 1 0.0
Br2 Br-1 0.2755 0.25 0.2905 1 0.0
In1 In+1 0.4502 0.25 0.6764 1 0.0
Br3 Br-1 0.0228 0.25 0.6008 1 0.0
Br1 Br-1 0.6738 0.25 0.4979 1 0.0
