#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/38/4343835.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_4343835
loop_
_publ_author_name
'Drews, T.'
'Supel, J.'
'Hagenbach, A.'
'Seppelt, K.'
_publ_section_title
;
 Solid state molecular structures of transition metal hexafluorides
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3782
_journal_page_last               3788
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'F6 Ir'
_chemical_name_systematic        'Ir F6'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.4105
_cell_length_b                   8.5468
_cell_length_c                   4.9516
_cell_volume                     398.256
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Drews_INOCAJ_2006_784.cif
_cod_data_source_block           F6Ir1
_cod_original_cell_volume        398.2555
_cod_original_formula_sum        'F6 Ir1'
_cod_database_code               4343835
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-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
F1 F-1 0.2562 0.75 0.3912 1 0.0
Ir1 Ir+6 0.373136 0.75 0.094152 1 0.0
F2 F-1 0.26296 0.59867 -0.0629 1 0.0
F3 F-1 0.4906 0.75 -0.2016 1 0.0
F4 F-1 0.48292 0.59854 0.2524 1 0.0
