#------------------------------------------------------------------------------
#$Date: 2025-08-23 01:36:08 +0200 (Sat, 23 Aug 2025) $
#$Revision: 301880 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/8/10/38/8103885.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_8103885
loop_
_publ_author_name
'Sitta, S.'
'Vogt, P.'
'Hippler, K.'
'Sabrowsky, H.'
_publ_section_title
;
 Crystal structure of K3OI
;
_journal_name_full               'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              193
_journal_page_last               196
_journal_volume                  196
_journal_year                    1991
_chemical_formula_sum            'I K3 O'
_chemical_name_systematic        'K3 O I'
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   5.283
_cell_length_b                   5.283
_cell_length_c                   5.283
_cell_volume                     147.449
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Sitta_ZEKRDZ_1991_4.cif
_cod_data_source_block           I1K3O1
_cod_original_formula_sum        'I1 K3 O1'
_cod_database_code               8103885
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
z,x,y
-x,z,y
-z,-x,y
x,-z,y
z,-x,-y
x,z,-y
-z,x,-y
-x,-z,-y
y,z,x
y,-z,-x
z,y,-x
-y,z,-x
-z,-y,-x
-y,-z,x
z,-y,x
-z,y,x
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
-z,-x,-y
x,-z,-y
z,x,-y
-x,z,-y
-z,x,y
-x,-z,y
z,-x,y
x,z,y
-y,-z,-x
-y,z,x
-z,-y,x
y,-z,x
z,y,x
y,z,-x
-z,y,-x
z,-y,-x
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
O1 O-2 0 0 0 1 0.0
I1 I-1 0.5 0.5 0.5 1 0.0
K1 K+1 0.5 0 0 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139207619
