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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/1/52/08/1520839.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_1520839
loop_
_publ_author_name
'Beck, H.P.'
'Tratzky, H.'
'Kallmayer, V.'
'Stoewe, K.'
_publ_section_title
;
 The (In Sn Cl3) - type arrangement. I. A new A B X3 structure type with
 close cation-cation contacts
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              344
_journal_page_last               350
_journal_volume                  146
_journal_year                    1999
_chemical_formula_sum            'Br3 In Sn'
_chemical_name_systematic        'In Sn Br3'
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   12.497
_cell_length_b                   12.497
_cell_length_c                   16.411
_cell_volume                     2562.988
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Beck_JSSCBI_1999_265.cif
_cod_data_source_block           Br3In1Sn1
_cod_original_formula_sum        'Br3 In1 Sn1'
_cod_database_code               1520839
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z+1/2
y,x,-z+1/2
-x,y,-z+1/2
-y,-x,-z+1/2
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z-1/2
-y,-x,z-1/2
x,-y,z-1/2
y,x,z-1/2
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1
y+1/2,x+1/2,-z+1
-x+1/2,y+1/2,-z+1
-y+1/2,-x+1/2,-z+1
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z
-y+1/2,-x+1/2,z
x+1/2,-y+1/2,z
y+1/2,x+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
Sn3 Sn+2 0 0 0.25 1 0.0
Br1 Br-1 0.0673 0.2051 0.1406 1 0.0
In1 In+1 0.1642 0.6642 0.1812 0.75 0.0
In2 In+1 0 0 0 1 0.0
Br3 Br-1 0 0.5 0.1322 1 0.0
Sn2 Sn+2 0.6372 0.1372 0 1 0.0
Br2 Br-1 0.1773 0.6773 0 1 0.0
Sn1 Sn+2 0.1642 0.6642 0.1812 0.25 0.0
