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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/4/34/44/4344496.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_4344496
loop_
_publ_author_name
'Nandana, W.A.S.'
'Passmore, J.'
'White, P.S.'
'Wong, C.-M.'
_publ_section_title
;
 Preparation and x-ray crystal structure of 1,4-diiodocyclo-hexaselenium
 bis(hexafluoroarsenate)-bis(sulfur dioxide), Se6 I2 (AS F6)2 (S O2)2, and
 (Se6 I)n (M F6)n (M= As, Sb)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3320
_journal_page_last               3328
_journal_volume                  28
_journal_year                    1989
_chemical_formula_sum            'F6 I Sb Se6'
_chemical_name_systematic        '(Se6 I) (Sb F6)'
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.21
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.232
_cell_length_b                   7.025
_cell_length_c                   10.638
_cell_volume                     655.372
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Nandana_INOCAJ_1989_1016.cif
_cod_data_source_block           F6I1Sb1Se6
_cod_original_cell_volume        655.3722
_cod_original_sg_symbol_Hall     '-P 2yc (x-z,y,z)'
_cod_original_formula_sum        'F6 I1 Sb1 Se6'
_cod_database_code               4344496
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y,-z+1/2
-x,-y,-z
x-1/2,-y,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
Se2 Se 0.05434 0.2558 0.39018 1 0.0
F2 F-1 0.09533 0.102 -0.1153 1 0.0
Se1 Se 0.1449 0.5686 0.38221 1 0.0
F1 F-1 0.0456 0.2224 0.1024 1 0.0
Sb1 Sb+5 0 0 0 1 0.0
I1 I-1 -0.25 0.2754 0.25 1 0.0
F3 F-1 0.1836 -0.1036 0.1045 1 0.0
Se3 Se 0.0564 0.243 0.61292 1 0.0
