#------------------------------------------------------------------------------
#$Date: 2011-01-02 22:00:31 +0200 (Sun, 02 Jan 2011) $
#$Revision: 5310 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2014618.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_2014618
loop_
_publ_author_name
'Smolentsev, Anton I.'
'Naumov, Dmitry Yu.'
_publ_section_title
;
Two alkali metal chlorites, LiClO~2~ and KClO~2~
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              i17
_journal_page_last               i19
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          'K Cl O2'
_chemical_formula_moiety         'O2 Cl, K'
_chemical_formula_structural     'K Cl O2'
_chemical_formula_sum            'Cl K O2'
_chemical_formula_weight         106.55
_chemical_name_common            'potassium chlorite'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.1446(9)
_cell_length_b                   6.3798(12)
_cell_length_c                   7.3755(19)
_cell_measurement_temperature    293(2)
_cell_volume                     289.13(10)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.448
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'Yes' changed to 'yes' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (3 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               2014618
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'x, -y, -z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z+1/2'
'x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, y, -z-1/2'
'-x, y, z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z-1/2'
'-x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
K 0.0000 0.0000 0.0000 0.0329(4) Uani d S 1 . . K
Cl 0.5000 -0.03139(16) 0.2500 0.0261(4) Uani d S 1 . . Cl
O 0.2937(4) -0.1753(4) 0.2500 0.0401(8) Uani d S 1 . . O
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
K 0.0328(6) 0.0358(6) 0.0303(6) 0.000 0.000 -0.0003(4)
Cl 0.0226(6) 0.0205(6) 0.0352(7) 0.000 0.000 0.000
O 0.0263(11) 0.0290(12) 0.0651(17) -0.0063(10) 0.000 0.000
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
K O 9 2.8120(18) ?
K O . 2.8120(18) yes
K O 3 2.8120(18) ?
K O 11 2.8120(18) ?
K O 15 3.0493(19) ?
K O 7_445 3.0493(19) ?
K O 5_455 3.0493(19) yes
K O 13_545 3.0493(19) ?
Cl O . 1.565(2) yes
Cl O 11_655 1.565(2) ?
O K 2 2.8120(18) ?
O K 5_545 3.0493(19) ?
O K 6_545 3.0493(19) ?