#------------------------------------------------------------------------------
#$Date: 2025-08-18 17:02:58 +0200 (Mon, 18 Aug 2025) $
#$Revision: 301777 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/53/1525398.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_1525398
loop_
_publ_author_name
'Troemel, M.'
'Doelling, H.'
_publ_section_title
;
 Die Kristallstruktur von K3 I O5
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              41
_journal_page_last               48
_journal_volume                  411
_journal_year                    1975
_chemical_formula_sum            'I K3 O5'
_chemical_name_systematic        'K3 I O5'
_space_group_IT_number           130
_symmetry_space_group_name_Hall  'P 4ab 2n -1ab'
_symmetry_space_group_name_H-M   'P 4/n c c :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.924
_cell_length_b                   5.924
_cell_length_c                   18.13
_cell_volume                     636.250
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Troemel_ZAACAB_1975_558.cif
_cod_data_source_block           I1K3O5
_cod_original_cell_volume        636.2501
_cod_original_sg_symbol_Hall     '-P 4a 2ac (x-1/4,y+1/4,z)'
_cod_original_formula_sum        'I1 K3 O5'
_cod_database_code               1525398
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z
-x,-y,z
y+1/2,-x+1/2,z
x+1/2,-y+1/2,-z+1/2
y,x,-z+1/2
-x+1/2,y+1/2,-z+1/2
-y,-x,-z+1/2
-x+1/2,-y+1/2,-z
y,-x,-z
x+1/2,y+1/2,-z
-y,x,-z
-x,y,z-1/2
-y+1/2,-x+1/2,z-1/2
x,-y,z-1/2
y+1/2,x+1/2,z-1/2
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
K3 K+1 0 0 0.25 1 0.0
K2 K+1 0 0 0 1 0.0
I1 I+7 0 0.5 0.125 1 0.0
K1 K+1 0 0.5 0.397 1 0.0
O1 O-2 0 0.5 0.227 1 0.0
O2 O-2 0.128 0.759 0.113 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139045915
