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#$Date: 2022-09-14 18:07:06 +0300 (Wed, 14 Sep 2022) $
#$Revision: 277832 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/00/1010098.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_1010098
loop_
_publ_author_name
'Helmholz, L.'
_publ_section_title
;
 The Crystal Structure of Ammonium Trihydrogen Paraperiodate,
 (N H₄)₂ H₃ I O₆
;
_journal_coden_ASTM              JACSAT
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2036
_journal_page_last               2039
_journal_paper_doi               10.1021/ja01289a073
_journal_volume                  59
_journal_year                    1937
_chemical_formula_structural     '(N H4)2 H3 I O6'
_chemical_formula_sum            'H11 I N2 O6'
_chemical_name_systematic        'AMMONIUM TRIHYDROGENHEXAOXOIODATE(VII)'
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      148
_symmetry_space_group_name_H-M   'R -3 HR'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   6.88(1)
_cell_length_b                   6.88(1)
_cell_length_c                   11.10(5)
_cell_volume                     455.0
_exptl_crystal_density_meas      3(50)
_cod_database_code               1010098
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
y-x,-x,z
-x,-y,-z
y,y-x,-z
x-y,x,-z
1/3+x,2/3+y,1/3+z
2/3+x,1/3+y,2/3+z
1/3-y,2/3+x-y,1/3+z
2/3-y,1/3+x-y,2/3+z
1/3-x+y,2/3-x,1/3+z
2/3-x+y,1/3-x,2/3+z
1/3-x,2/3-y,1/3-z
2/3-x,1/3-y,2/3-z
1/3+y,2/3-x+y,1/3-z
2/3+y,1/3-x+y,2/3-z
1/3+x-y,2/3+x,1/3-z
2/3+x-y,1/3+x,2/3-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
N1 N3- 6 c 0. 0. 0.34(1) 1. 4 d
I1 I7+ 3 a 0. 0. 0. 1. 0 d
O1 O2- 18 f 0.232(3) 0.216(3) 0.105(5) 1. 0 d
H1 H1+ 3 ? -1. -1. -1. 11. 0 dum
loop_
_atom_type_symbol
_atom_type_oxidation_number
N3- -3.000
I7+ 7.000
O2- -2.000
H1+ 1.000
