#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/36/8103619.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_8103619
loop_
_publ_author_name
'Hamid, S.A.'
_publ_section_title
;
 Symmetrie von K I O3 und die Struktur der Zimmertemperaturphase
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
_journal_page_first              412
_journal_page_last               421
_journal_volume                  137
_journal_year                    1973
_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                54.4
_cell_angle_beta                 125.3
_cell_angle_gamma                90.6
_cell_formula_units_Z            4
_cell_length_a                   8.923
_cell_length_b                   8.942
_cell_length_c                   7.709
_cell_volume                     355.561
_citation_journal_id_ASTM        ZEKGAX
_cod_data_source_file            Hamid_ZEKGAX_1973_1256.cif
_cod_data_source_block           I1K1O3
_cod_original_cell_volume        355.5606
_cod_original_formula_sum        'I1 K1 O3'
_cod_database_code               8103619
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
I2 I+5 0.498 0.007 0.499 1 0.0
O10 O-2 0.757 0.532 0.554 1 0.0
O3 O-2 0.733 0.741 -0.02 1 0.0
K4 K+1 0.494 0.495 -0.01 1 0.0
K2 K+1 0.008 0.495 0.009 1 0.0
O1 O-2 0.266 0.267 0.02 1 0.0
O4 O-2 0.231 0.768 0.018 1 0.0
I3 I+5 0.01 0.492 0.51 1 0.0
O7 O-2 0.284 0.016 0.449 1 0.0
O5 O-2 0.034 0.219 0.44 1 0.0
O2 O-2 0.779 0.211 0.026 1 0.0
O9 O-2 0.267 0.55 0.52 1 0.0
I4 I+5 0.011 0.013 0.48 1 0.0
O12 O-2 0.433 0.756 0.564 1 0.0
O11 O-2 0.54 0.266 0.534 1 0.0
K1 K+1 0.023 0.004 0.02 1 0.0
O6 O-2 0.001 0.73 0.475 1 0.0
K3 K+1 0.484 -0.011 0.012 1 0.0
O8 O-2 0.764 0.018 0.462 1 0.0
I1 I+5 0.506 0.504 0.494 1 0.0
