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#$Date: 2018-02-05 00:21:00 +0200 (Mon, 05 Feb 2018) $
#$Revision: 206168 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/11/79/7117900.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_7117900
loop_
_publ_author_name
'Gillespie, R.J.'
'Kapoor, R.'
'Faggiani, R.'
'Murchie, M.'
'Lock, C.J.L.'
'Passmore, J.'
_publ_section_title
;
 The I4(2+) cation. X-Ray Crystal structures of (I4(2+)) (As F6(-))2 and
 (I4(2+)) (Sb3 F14(-)) (Sb F6(-))
;
_journal_name_full
;
Journal of the Chemical Society. Chemical Communications (1972-)
;
_journal_page_first              8
_journal_page_last               9
_journal_volume                  1983
_journal_year                    1983
_chemical_formula_sum            'As2 F12 I4'
_chemical_name_systematic        '(I4) (As F6)2'
_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_Hall           '-A 2y'
_space_group_name_H-M_alt        'A 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.71
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.907
_cell_length_b                   9.815
_cell_length_c                   12.514
_cell_volume                     704.855
_citation_journal_id_ASTM        JCCCAT
_cod_data_source_file            Gillespie_JCCCAT_1983_112.cif
_cod_data_source_block           As2F12I4
_cod_original_cell_volume        704.8549
_cod_database_code               7117900
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,y,-z
3 -x,-y,-z
4 x,-y,z
5 x,y+1/2,z+1/2
6 -x,y+1/2,-z+1/2
7 -x,-y+1/2,-z+1/2
8 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
I1 I 0.1211 0.3332 0.4269 1 0.0
As1 As+5 0.4359 0 0.6945 1 0.0
F1 F-1 -0.563 0 0.1674 1 0.0
F3 F-1 -0.2363 0.8918 0.2791 1 0.0
F4 F-1 -0.29 0 0.4356 1 0.0
F2 F-1 -0.6148 0.1173 0.3359 1 0.0
