#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (mar 27 de ene de 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/02/1010203.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010203
loop_
_publ_author_name
'Helmholz, L'
'Rogers, M T'
_publ_section_title
;
The Crystal Structure of Potassium Fluoroiodate, K I O₂ F₂
;
_journal_coden_ASTM              JACSAT
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1537
_journal_page_last               1542
_journal_paper_doi               10.1021/ja01863a058
_journal_volume                  62
_journal_year                    1940
_chemical_formula_structural     'K I O2 F2'
_chemical_formula_sum            'F2 I K O2'
_chemical_name_systematic        'Potassium dioxodifluoroiodate'
_space_group_IT_number           29
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      29
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.38(2)
_cell_length_b                   5.97(2)
_cell_length_c                   8.41(2)
_cell_volume                     420.7
_cod_database_code               1010203
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,1/2+z
1/2-x,y,1/2+z
1/2+x,-y,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
I1 I5+ 4 a 0. 0.067(1) 0. 1. 0 d
K1 K1+ 4 a 0.215(5) 0.465(5) 0.290(5) 1. 0 d
F1 F1- 4 a -0.08(1) 0.355(10) 0.09(1) 1. 0 d
F2 F1- 4 a 0.08(1) -0.22(1) -0.09(1) 1. 0 d
O1 O2- 4 a 0.215(10) 0.175(10) 0.035(10) 1. 0 d
O2 O2- 4 a -0.02(1) 0.19(1) 0.21(1) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
I5+ 5.000
K1+ 1.000
F1- -1.000
O2- -2.000
