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#$Date: 2025-08-19 21:00:13 +0200 (Tue 19 de Aug de 2025) $
#$Revision: 301809 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/07/2310750.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_2310750
loop_
_publ_author_name
'Boswijk, K.H.'
'van der Heide, J.'
'Vos, A.'
'Wiebenga, E.H.'
_publ_section_title
;
 The crystal structure of I Cl-alpha
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              274
_journal_page_last               277
_journal_volume                  9
_journal_year                    1956
_chemical_formula_sum            'Cl I'
_chemical_name_systematic        'I Cl'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 119.5
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.6
_cell_length_b                   4.38
_cell_length_c                   11.9
_cell_volume                     571.595
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Boswijk_ACCRA9_1956_1035.cif
_cod_data_source_block           Cl1I1
_cod_original_formula_sum        'Cl1 I1'
_cod_database_code               2310750
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-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
Cl2 Cl-1 0.462 0.62 0.853 1 0.0
Cl1 Cl-1 0.084 0.706 0.156 1 0.0
I2 I+1 0.297 0.436 0.633 1 0.0
I1 I+1 0.179 0.588 0.365 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139089010
