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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/09/2310997.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_2310997
loop_
_publ_author_name
'Vonk, C.G.'
'Wiebenga, E.H.'
_publ_section_title
;
 The crystal structure of I Sb Cl8 and I Al Cl6
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              859
_journal_page_last               866
_journal_volume                  12
_journal_year                    1959
_chemical_formula_sum            'Al Cl6 I'
_chemical_name_systematic        '(I Cl2) (Al Cl4)'
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.1
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.92
_cell_length_b                   11.02
_cell_length_c                   6.11
_cell_volume                     460.074
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Vonk_ACCRA9_1959_1382.cif
_cod_data_source_block           Al1Cl6I1
_cod_original_cell_volume        460.0745
_cod_original_formula_sum        'Al1 Cl6 I1'
_cod_database_code               2310997
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-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
Cl2 Cl-1 0.982 0.375 0.792 1 0.0
Cl4 Cl-1 0.484 0.091 0.23 1 0.0
Cl5 Cl-1 0.672 0.467 0.309 1 0.0
I1 I+3 0.191 0.25 0.007 1 0.0
Cl6 Cl-1 0.457 0.269 0.691 1 0.0
Cl3 Cl-1 0.808 0.045 0.694 1 0.0
Al1 Al+3 0.522 0.093 0.595 1 0.0
Cl1 Cl-1 0.993 0.211 0.266 1 0.0
