data_global
_amcsd_formula_title 'H6 I3 N O9'
loop_
_publ_author_name
'Bordet P'
'Boucherle J'
'Santoro A'
'Marezio M'
_journal_name_full 'Solid State Ionics'
_journal_volume 21 
_journal_year 1986
_journal_page_first 243
_journal_page_last 254
_publ_section_title
;
 Crystal structure and proton conductivity of N H4 H2 (I O3)3 and K H2(I O3)3
 _cod_database_code 1008705
;
_database_code_amcsd 0016591
_chemical_formula_sum 'I3 O9 N H6'
_cell_length_a 8.396
_cell_length_b 8.363
_cell_length_c 8.207
_cell_angle_alpha 65.57
_cell_angle_beta 60.13
_cell_angle_gamma 70.33
_cell_volume 448.698
_exptl_crystal_density_diffrn      4.032
_symmetry_space_group_name_H-M 'P -1'
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
_atom_site_occupancy
I1   0.81060   0.18960   0.75220   1.00000
I2   0.24100   0.73160   0.78020   1.00000
I3   0.30230   0.20080   0.78180   1.00000
O1   0.77020   0.42890   0.60080   1.00000
O2   0.83950   0.09320   0.57040   1.00000
O3   0.13000   0.54990   0.82660   1.00000
O4   0.47040   0.66000   0.61370   1.00000
O5   0.46990   0.22570   0.84130   1.00000
O6   0.05150   0.18500   0.66870   1.00000
O7   0.39540  -0.01870   0.75110   1.00000
O8   0.26620   0.64480   0.00670   1.00000
O9   0.12360   0.14020   0.03460   1.00000
N1   0.72910   0.72830   0.76070   1.00000
H1   0.78700   0.76680   0.81300   1.00000
H2   0.81430   0.73230   0.61900   1.00000
H3   0.61600   0.81200   0.76670   1.00000
H4   0.28880   0.39880   0.16050   1.00000
H5   0.36050   0.52240   0.36780   1.00000
H6  -0.02600   0.47500   0.04200   0.50000
H7   0.03900  -0.02200   0.48100   0.50000