#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/55/9015527.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_9015527
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 1008704
;
_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            'H4 I3 N O9'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                65.57
_cell_angle_beta                 60.13
_cell_angle_gamma                70.33
_cell_length_a                   8.396
_cell_length_b                   8.363
_cell_length_c                   8.207
_cell_formula_units_Z            2
_cell_volume                     448.698
_database_code_amcsd             0016590
_exptl_crystal_density_diffrn    4.017
_cod_duplicate_entry             1008704
_cod_original_formula_sum        'I3 O9 N H4'
_cod_database_code               9015527
_amcsd_formula_title             'H6 I3 N 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 0.80997 0.18942 0.75206
I2 0.24046 0.73219 0.77990
I3 0.30239 0.20097 0.78134
O1 0.77150 0.42800 0.60080
O2 0.84090 0.09260 0.56960
O3 0.13130 0.54890 0.82660
O4 0.47030 0.65980 0.61330
O5 0.47080 0.22620 0.84100
O6 0.05230 0.18530 0.66830
O7 0.39500 -0.01890 0.75170
O8 0.26720 0.64420 0.00690
O9 0.12420 0.14060 0.03410
N1 0.72960 0.72630 0.76040
H1 0.79500 0.78300 0.80900
H2 0.76900 0.73100 0.64800
H3 0.62000 0.81000 0.80000
H4 0.69900 0.61800 0.84200
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0016590
