#------------------------------------------------------------------------------
#$Date: 2015-10-07 22:05:49 +0200 (Wed 07 de Oct de 2015) $
#$Revision: 160857 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/07/2310749.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_2310749
loop_
_publ_author_name
'Boswijk, K.H.'
'Wiebenga, E.H.'
_publ_section_title
;
 The Crystal Structure of I2 Cl6 (I Cl3)
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              417
_journal_page_last               423
_journal_volume                  7
_journal_year                    1954
_chemical_formula_sum            'Cl6 I2'
_chemical_name_systematic        '(I Cl3)2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                130.83
_cell_angle_beta                 80.83
_cell_angle_gamma                108.5
_cell_formula_units_Z            1
_cell_length_a                   5.71
_cell_length_b                   10.88
_cell_length_c                   5.48
_cell_volume                     243.737
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Boswijk_ACCRA9_1954_210.cif
_cod_data_source_block           Cl6I2
_cod_original_cell_volume        243.7368
_cod_database_code               2310749
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
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+3 0 0.1861 0 1 0.0
Cl1 Cl-1 0.2753 0.135 0.2631 1 0.0
Cl2 Cl-1 0.2719 0.4644 0.2575 1 0.0
Cl3 Cl-1 0.2717 0.7958 0.2556 1 0.0
