#------------------------------------------------------------------------------
#$Date: 2015-10-05 11:45:09 +0300 (Mon, 05 Oct 2015) $
#$Revision: 159650 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/34/1533409.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_1533409
loop_
_publ_author_name
'Scholten, M.'
'Koelle, P.'
'Dronskowski, R.'
_publ_section_title
;
 Temperature-dependent diffraction studies on the phase evolution of
 tetraindium heptabromide
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              349
_journal_page_last               356
_journal_volume                  174
_journal_year                    2003
_chemical_formula_sum            'Br7 In4'
_chemical_name_systematic        'In4 Br7'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.2
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.066
_cell_length_b                   7.52
_cell_length_c                   31.105
_cell_volume                     3025.016
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Scholten_JSSCBI_2003_140.cif
_cod_data_source_block           Br7In4
_cod_database_code               1533409
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
Br7 Br-1 0.1589 0.831 0.7634 1 0.0
Br2 Br-1 0.4317 0.208 0.5506 1 0.0
In4 In+1 0.068 0.754 0.4686 1 0.0
In5 In+1 0.5 0.71 0.75 1 0.0
In1 In+3 0.25 0.25 0.5 1 0.0
Br4 Br-1 0.0242 0.012 0.651 1 0.0
Br3 Br-1 0.2037 0.518 0.5504 1 0.0
Br5 Br-1 0.0674 0.477 0.6627 1 0.0
In2 In+3 0.1396 0.776 0.6849 1 0.0
Br6 Br-1 0.3132 0.805 0.6605 1 0.0
Br1 Br-1 0.1661 0.02 0.5492 1 0.0
In3 In+1 0.2093 0.749 0.8741 1 0.0
