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#$Date: 2016-01-03 12:47:25 +0100 (Sun 03 de Jan de 2016) $
#$Revision: 173163 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/45/4344511.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_4344511
loop_
_publ_author_name
'Boldrini, P.'
'Brown, I.'
'Vekris, J.E.'
'Ireland, P.R.'
'Gillespie, R.J.'
'Slim, D.R.'
'Luk, W.C.'
_publ_section_title
;
 Preparation and crystal structures of ditellurium octaselenium
 bis(hexafluoroarsenate)-sulfur dioxide, Te2 Se8 (As F6)2 S O2, and
 tetratellurium hexaselenium bis(hexafluoroarsenate), Te3.7 Se6.3 (As F6)2
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              765
_journal_page_last               770
_journal_volume                  15
_journal_year                    1976
_chemical_formula_sum            'As2 F12 Se6.22 Te3.66'
_chemical_name_systematic        'Te3.66 Se6.22 (As F6)2'
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.84
_cell_length_b                   10.828
_cell_length_c                   13.345
_cell_volume                     2144.375
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Boldrini_INOCAJ_1976_1996.cif
_cod_data_source_block           As2F12Se6.22Te3.66
_cod_database_code               4344511
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x,y,-z+1/2
-x,-y,-z
x-1/2,y-1/2,-z-1/2
-x-1/2,y-1/2,z
x,-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
Se3 Se -0.3331 0.1129 0.3166 1 0.0
As1 As+5 0.1681 0.0859 0.0174 1 0.0
F6 F-1 0.1965 0.0802 -0.1027 1 0.0
F2 F-1 0.1408 0.0976 0.1392 1 0.0
Se2 Se -0.462 -0.0624 0.1033 0.5 0.0
F3 F-1 0.1365 -0.0538 0.0219 1 0.0
F1 F-1 0.0675 0.1455 -0.0182 1 0.0
F5 F-1 0.273 0.0331 0.0512 1 0.0
Te3 Te 0.4251 0.2447 0.2018 0.33 0.0
Te1 Te 0.332 -0.1056 0.2298 1 0.0
Se1 Se+1 0.438 -0.2197 0.3612 1 0.0
F4 F-1 0.2048 0.2344 0.0244 1 0.0
Se4 Se -0.4258 0.2366 0.2951 0.61 0.0
Te2 Te -0.4268 -0.2362 0.1303 0.5 0.0
