#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/01/1530118.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_1530118
loop_
_publ_author_name
'Kalinin, V.P.'
'Ilyukhin, V.V.'
'Belov, N.V.'
_publ_section_title
;
 About the crystal structure of the triclinic modification of potassium
 iodate
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              590
_journal_page_last               593
_journal_volume                  239
_journal_year                    1978
_chemical_formula_sum            'I K O3'
_chemical_name_systematic        'K (I O3)'
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                109.06
_cell_angle_beta                 109.27
_cell_angle_gamma                109.29
_cell_formula_units_Z            4
_cell_length_a                   7.71
_cell_length_b                   7.701
_cell_length_c                   7.698
_cell_volume                     355.253
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Kalinin_DANKAS_1978_1267.cif
_cod_data_source_block           I1K1O3
_cod_original_cell_volume        355.2532
_cod_original_formula_sum        'I1 K1 O3'
_cod_database_code               1530118
loop_
_symmetry_equiv_pos_as_xyz
x,y,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
O9 O-2 0.287 0.024 0.346 1 0.0
O4 O-2 -0.007 0.303 0.317 1 0.0
O3 O-2 0.845 0.046 -0.192 1 0.0
I3 I+5 0.4936 -0.0022 0.5092 1 0.0
I1 I+5 0 0 0 1 0.0
O6 O-2 0.841 0.586 0.341 1 0.0
O11 O-2 0.286 0.485 -0.188 1 0.0
O10 O-2 0.345 0.339 0.095 1 0.0
O8 O-2 0.342 -0.203 0.548 1 0.0
I4 I+5 0.4928 0.4913 0.0163 1 0.0
K3 K+1 0.5145 0.0023 0.0211 1 0.0
K4 K+1 0.4965 0.5084 0.5292 1 0.0
K1 K+1 0.0072 0.0208 0.5116 1 0.0
O1 O-2 0.079 -0.152 -0.154 1 0.0
O2 O-2 0.793 -0.199 -0.007 1 0.0
O5 O-2 0.791 0.343 0.539 1 0.0
O12 O-2 0.528 0.297 -0.149 1 0.0
K2 K+1 0.0047 0.5122 0.0179 1 0.0
I2 I+5 -0.0132 0.5067 0.5076 1 0.0
O7 O-2 0.533 -0.156 0.309 1 0.0
