#------------------------------------------------------------------------------
#$Date: 2015-10-10 13:41:31 +0200 (Sat, 10 Oct 2015) $
#$Revision: 165512 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/73/1537389.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_1537389
loop_
_publ_author_name
'Hartl, H.'
'Baernighausen, H.'
'Jander, J.'
_publ_section_title
;
 Die Kristallstruktur von Stickstofftrijodid-1-Ammoniak N J3 N H3
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              225
_journal_page_last               237
_journal_volume                  357
_journal_year                    1968
_chemical_formula_sum            'H3 I3 N2'
_chemical_name_systematic        '(N I3) (N H3)'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.6
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.132
_cell_length_b                   7.506
_cell_length_c                   6.324
_cell_volume                     334.735
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Hartl_ZAACAB_1968_1861.cif
_cod_data_source_block           H3I3N2
_cod_database_code               1537389
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
x,-y-1/2,z
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
I2 I-1 0.0629 0.25 0.3173 1 0.0
H1 H+1 -0.18 0.25 -0.12 1 0.0
N1 N+3 0.322 0.25 0.54 1 0.0
I3 I-1 0.2439 0.25 0.8568 1 0.0
N2 N-3 -0.227 0.25 0.036 1 0.0
I1 I-1 0.5 0 0.5 1 0.0
H2 H+1 -0.31 0.13 0.05 1 0.0
