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#$Date: 2015-10-10 04:48:37 +0300 (Sat, 10 Oct 2015) $
#$Revision: 164314 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/65/1536563.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_1536563
loop_
_publ_author_name
'Dronskowski, R.'
_publ_section_title
;
 Synthesis, structure, and decay of In4 Br7
;
_journal_name_full               'Angewandte Chemie (Edition international)'
_journal_page_first              1126
_journal_page_last               1128
_journal_volume                  34
_journal_year                    1995
_chemical_formula_sum            'Br7 In4'
_chemical_name_systematic        'In4 Br7'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   7.5775
_cell_length_b                   7.5775
_cell_length_c                   46.577
_cell_volume                     2316.083
_citation_journal_id_ASTM        ACIEAY
_cod_data_source_file            Dronskowski_ACIEAY_1995_1729.cif
_cod_data_source_block           Br7In4
_cod_database_code               1536563
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+1/3,-z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+2/3,-z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
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
Br2 Br-1 0.512 0.024 0.3947 1 0.0
In2 In+3 0 0 0.71 1 0.0
In1 In+3 0 0 0.5 1 0.0
In3 In+1 0 0 0.4148 1 0.0
In4 In+1 0 0 0.1443 1 0.0
In5 In+1 0 0 0 1 0.0
Br1 Br-1 0.1665 0.333 0.4672 1 0.0
Br3 Br-1 0 0 0.6584 1 0.0
