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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/1/52/55/1525544.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_1525544
loop_
_publ_author_name
'Abrahams, I.'
'Demetriou, D.Z.'
'Motevalli, M.'
'Taylor, H.'
'Kroemer, R.T.'
_publ_section_title
;
 Evidence for cluster orbital formation in Cs Sn2 X5 compounds (X=Cl, Br)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              382
_journal_page_last               387
_journal_volume                  160
_journal_year                    2001
_chemical_formula_sum            'Br5 Cs Sn2'
_chemical_name_systematic        'Cs Sn2 Br5'
_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            4
_cell_length_a                   8.483
_cell_length_b                   8.483
_cell_length_c                   15.28
_cell_volume                     1099.568
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Abrahams_JSSCBI_2001_1640.cif
_cod_data_source_block           Br5Cs1Sn2
_cod_original_formula_sum        'Br5 Cs1 Sn2'
_cod_database_code               1525544
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
Br1 Br-1 0.5 0.5 0 1 0.0
Cs1 Cs+1 0.5 0.5 0.25 1 0.0
Sn1 Sn+2 0.3191 0.8191 0 1 0.0
Br2 Br-1 0.1602 0.6602 0.1284 1 0.0
