#------------------------------------------------------------------------------
#$Date: 2017-10-06 19:24:22 +0300 (Fri, 06 Oct 2017) $
#$Revision: 201816 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/63/9016398.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_9016398
loop_
_publ_author_name
'Pauling, L.'
_publ_section_title
;
 The crystal structure of ammonium hydrogen fluoride N H4 H F2
 _cod_database_code 1010616
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              380
_journal_page_last               391
_journal_volume                  85
_journal_year                    1933
_chemical_formula_sum            'F2 N'
_space_group_IT_number           53
_symmetry_space_group_name_Hall  '-P 2ab 2'
_symmetry_space_group_name_H-M   'P m a n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.33
_cell_length_b                   8.14
_cell_length_c                   3.68
_cell_volume                     249.527
_database_code_amcsd             0017498
_exptl_crystal_density_diffrn    1.384
_cod_duplicate_entry             1010616
_cod_original_formula_sum        'N F2'
_cod_database_code               9016398
_amcsd_formula_title             'F2 H5 N'
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,-z
1/2-x,1/2-y,z
-x,y,z
x,-y,-z
1/2+x,1/2-y,z
1/2-x,1/2+y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 0.25000 0.25000 0.56000
F1 0.14200 0.00000 0.00000
F2 0.50000 0.13200 0.13500
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0017498