#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/39/1533960.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_1533960
loop_
_publ_author_name
'Kasatani, H.'
'Katayama, R.'
'Aoyagi, S.'
'Yagi, K.'
'Kuroiwa, Y.'
'Terauchi, H.'
_publ_section_title
;
 Study of crystal structure at high temperature phase in K I O3 crystal by
 synchrotron powder X-ray diffraction
;
_journal_name_full
;
Nuclear Instruments and Methods in Physics Research B: Beam Interaction with 
Materials and Atoms
;
_journal_page_first              49
_journal_page_last               53
_journal_volume                  199
_journal_year                    2003
_chemical_formula_sum            'I K O3'
_chemical_name_systematic        'K (I O3)'
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   6.3396
_cell_length_b                   6.3396
_cell_length_c                   7.9242
_cell_volume                     275.810
_citation_journal_id_ASTM        NIMBEU
_cod_data_source_file            Kasatani_NIMBEU_2003_563.cif
_cod_data_source_block           I1K1O3
_cod_original_cell_volume        275.8099
_cod_original_formula_sum        'I1 K1 O3'
_cod_database_code               1533960
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-y,-x,z
x,x-y,z
-x+y,y,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
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
I1 I+5 0 0 0.5 1 0.0
O1 O-2 0.479 0.521 0.0652 1 0.0
K1 K+1 0 0 0.0093 1 0.0
