#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/76/1527621.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_1527621
loop_
_publ_author_name
'Keller, H.J.'
'Homborg, H.'
_publ_section_title
;
 Kristallstruktur von trans-Cs2 (Os Br Cl F4)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              261
_journal_page_last               265
_journal_volume                  422
_journal_year                    1976
_chemical_formula_sum            'Br Cl Cs2 F4 Os'
_chemical_name_systematic        'Cs2 (Os Br Cl F4)'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.175
_cell_length_b                   7.175
_cell_length_c                   8.606
_cell_volume                     443.042
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Keller_ZAACAB_1976_624.cif
_cod_data_source_block           Br1Cl1Cs2F4Os1
_cod_original_cell_volume        443.0423
_cod_original_formula_sum        'Br1 Cl1 Cs2 F4 Os1'
_cod_database_code               1527621
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
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+1/2
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+1/2
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+1/2
-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
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
F1 F-1 0.1908 0.1908 0 1 0.0
Cs1 Cs+1 0 0.5 0.25 1 0.0
Br1 Br-1 0 0 0.2898 0.5 0.0
Cl1 Cl-1 0 0 0.7178 0.5 0.0
Os1 Os+4 0 0 0 1 0.0
