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#$Date: 2016-11-09 18:21:20 +0200 (Wed, 09 Nov 2016) $
#$Revision: 188358 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/47/9014796.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_9014796
loop_
_publ_author_name
'Mooney, R.'
_publ_section_title
;
 The Configuration of the Triiodide Group in Ammonium Triiodide Crystals.
 _cod_database_code 1010243
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              143
_journal_page_last               150
_journal_volume                  90
_journal_year                    1935
_chemical_formula_sum            'I3 N'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.64
_cell_length_b                   9.66
_cell_length_c                   10.82
_cell_volume                     694.021
_database_code_amcsd             0017179
_exptl_crystal_density_diffrn    3.778
_cod_duplicate_entry             1010243
_cod_database_code               9014796
_amcsd_formula_title             'H4 I3 N'
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-x,y,z
1/2+x,-y,-z
1/2+x,1/2+y,1/2-z
1/2-x,1/2-y,1/2+z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_attached_hydrogens
I1 0.25000 0.35000 0.15300 0
I2 0.25000 0.54400 0.38100 0
I3 0.25000 0.73600 0.57500 0
N1 0.25000 0.46100 0.83100 4