#------------------------------------------------------------------------------
#$Date: 2015-07-11 17:11:38 +0300 (Sat, 11 Jul 2015) $
#$Revision: 145176 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/36/4343660.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_4343660
loop_
_publ_author_name
'Gillespie, R.J.'
'Luk, W.C.'
'Maharajh, E.'
'Slim, D.R.'
_publ_section_title
;
 Preparation and crystal structures of Te3 S3 (As F6)2, Te2 Se4 (Sb F6)2
 and Te2 Se4 (As F6)2
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              892
_journal_page_last               896
_journal_volume                  16
_journal_year                    1977
_chemical_formula_sum            'As2 F12 Se4 Te2'
_chemical_name_systematic        'Te2 Se4 (As F6)2'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.64
_cell_length_b                   12.012
_cell_length_c                   15.272
_cell_volume                     1584.984
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Gillespie_INOCAJ_1977_597.cif
_cod_data_source_block           As2F12Se4Te2
_cod_database_code               4343660
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+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
F5 F-1 0.169 0.6944 0.3333 1 0.0
F7 F-1 0.7197 0.3582 0.5707 1 0.0
As2 As+5 0.7819 0.4737 0.5183 1 0.0
F3 F-1 0.262 0.8802 0.4001 1 0.0
F10 F-1 0.851 0.3602 0.5002 1 0.0
F11 F-1 0.7002 0.5897 0.5307 1 0.0
F9 F-1 0.8102 0.4691 0.6446 1 0.0
Se1 Se 0.1628 0.178 0.4294 1 0.0
Se3 Se 0.2517 0.2995 0.1937 1 0.0
F4 F-1 0.1421 0.889 0.2824 1 0.0
Se2 Se 0.1421 0.4147 0.2974 1 0.0
Te1 Te 0.3198 0.1341 0.2919 1 0.0
F2 F-1 0.3702 0.6804 0.341 1 0.0
As1 As+5 0.2584 0.7902 0.3102 1 0.0
Te2 Te 0.4259 0.2553 0.436 1 0.0
F8 F-1 0.784 0.4713 0.4014 1 0.0
F1 F-1 0.3623 0.8661 0.289 1 0.0
Se4 Se 0.3823 0.4498 0.3691 1 0.0
F12 F-1 0.84 0.5802 0.4701 1 0.0
F6 F-1 0.26 0.7111 0.2197 1 0.0
