data_1010442
_publ_section_title
;
The Configuration of the Pentahalogen Anion Group from the X-ray
Structure Determination of Potassium Tetra-Chloroiodide Crystals
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              377
_journal_page_last               393
_journal_volume                  98
_journal_year                    1938
_chemical_formula_structural     'K I Cl4'
_chemical_formula_sum            'Cl4 I K'
_chemical_name_systematic        'Potassium tetrachloroiodate(III)'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.116
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.09
_cell_length_b                   14.18
_cell_length_c                   4.2
_cell_volume                     776.5
_cod_database_code               1010442
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2-y,1/2+z
-x,-y,-z
1/2-x,1/2+y,1/2-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
K1 K1+ 4 e 0.075 0.1528 0.3194 1. 0 d
I1 I3+ 4 e 0.2056 0.4361 0.5 1. 0 d
Cl1 Cl1- 4 e 0.2194 0.2889 0.7361 1. 0 d
Cl2 Cl1- 4 e 0.1917 0.5833 0.5417 1. 0 d
Cl3 Cl1- 4 e 0.3722 0.4694 0.7361 1. 0 d
Cl4 Cl1- 4 e 0.0389 0.4028 0.2639 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
K1+ 1.000
I3+ 3.000
Cl1- -1.000
