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#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/63/9016321.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9016321
loop_
_publ_author_name
'Bordet, P.'
'Boucherle, J.'
'Santoro, A.'
'Marezio, M.'
_publ_section_title
;
 Crystal structure and proton conductivity of N H4 H2 (I O3)3
 and K H2 (I O3)3
 _cod_database_code 1008359
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              243
_journal_page_last               254
_journal_paper_doi               10.1016/0167-2738(86)90079-2
_journal_volume                  21
_journal_year                    1986
_chemical_formula_sum            'I3 K O9'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                66.08
_cell_angle_beta                 60.16
_cell_angle_gamma                71.06
_cell_length_a                   8.266
_cell_length_b                   8.200
_cell_length_c                   8.180
_cell_formula_units_Z            2
_cell_volume                     434.327
_database_code_amcsd             0016270
_exptl_crystal_density_diffrn    4.311
_cod_duplicate_entry             1008359
_cod_original_formula_sum        'I3 O9 K'
_cod_database_code               9016321
_amcsd_formula_title             'H2 I3 K O9'
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
I1 0.81368 0.18645 0.75488
I2 0.23951 0.73478 0.77795
I3 0.30383 0.20049 0.78194
O1 0.77550 0.42720 0.60100
O2 0.83480 0.08200 0.58070
O3 0.12130 0.55410 0.82120
O4 0.47190 0.65910 0.61180
O5 0.46470 0.23090 0.85190
O6 0.06040 0.18350 0.66020
O7 0.40400 -0.02110 0.75140
O8 0.26350 0.64020 0.00690
O9 0.11750 0.13580 0.03250
K1 0.72330 0.72020 0.76230
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0016270
