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#$Date: 2015-07-13 21:10:50 +0300 (Mon, 13 Jul 2015) $
#$Revision: 150678 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/31/05/2310565.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2310565
loop_
_publ_author_name
'Donohue, J.'
_publ_section_title
;
 Concerning the evidence for the molecular symmetry of I F7
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              1018
_journal_page_last               1021
_journal_volume                  18
_journal_year                    1965
_chemical_formula_sum            'F7 I'
_chemical_name_systematic        'I F7'
_space_group_IT_number           41
_symmetry_space_group_name_Hall  'A 2 -2ab'
_symmetry_space_group_name_H-M   'A b a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.74
_cell_length_b                   8.87
_cell_length_c                   6.14
_cell_volume                     475.996
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Donohue_ACCRA9_1965_1891.cif
_cod_data_source_block           F7I1
_cod_original_cell_volume        475.9961
_cod_chemical_formula_sum_orig   'F7 I1'
_cod_database_code               2310565
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x+1/2,y+1/2,z
x+1/2,-y+1/2,z
x,y+1/2,z+1/2
-x,-y+1/2,z+1/2
-x+1/2,y+1,z+1/2
x+1/2,-y+1,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
F2 F-1 0.07 0.0864 0.2509 1 0.0
I1 I+7 0 0 0 1 0.0
F4 F-1 -0.1661 0.1215 0.0379 1 0.0
F1 F-1 0 0 0.296 1 0.0
F3 F-1 0.1169 0.1624 0.0989 1 0.0