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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/66/2106606.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2106606
loop_
_publ_author_name
'Tichy, K.'
'Rueegg, A.'
'Benes, J.'
_publ_section_title
;
 Neutron diffraction study of diammonium trihydrogen periodate, (N H4)2 H3
 I O6, and its deuterium analogue, (N D4)2 D3 I O6
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1028
_journal_page_last               1032
_journal_volume                  36
_journal_year                    1980
_chemical_formula_sum            'H11 I N2 O6'
_chemical_name_systematic        '(N H4)2 (H3 I O6)'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   6.9233
_cell_length_b                   6.9233
_cell_length_c                   11.1491
_cell_volume                     462.804
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Tichy_ACBCAR_1980_71.cif
_cod_data_source_block           H11I1N2O6
_cod_original_cell_volume        462.8036
_cod_original_formula_sum        'H11 I1 N2 O6'
_cod_database_code               2106606
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
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
I1 I+7 0 0 0 1 0.0
H2 H+1 0 0 0.27201 1 0.0
N1 N-3 0 0 0.35937 1 0.0
O1 O-2 0.2185 -0.0075 0.09662 1 0.0
H1 H+1 0.30118 0.12492 0.14891 0.5 0.0
H3 H+1 0.1562 0.03842 0.3872 1 0.0
