#------------------------------------------------------------------------------
#$Date: 2009-05-13 21:45:18 +0300 (Wed, 13 May 2009) $
#$Revision: 720 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1010274.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_1010274
_chemical_name_systematic          'Ammonium fluoride'
_chemical_formula_structural       'N H4 F'
_chemical_formula_sum              'H4 F N'
_publ_section_title                'Die Kristallstruktur des Ammoniumfluorids.'
loop_
_publ_author_name                  'Zachariasen, W H'
_journal_name_full
;
Zeitschrift fuer Physikalische Chemie (Leipzig)
;
_journal_coden_ASTM                ZPCLAH
_journal_volume                    127
_journal_year                      1927
_journal_page_first                218
_journal_page_last                 224
_cell_length_a                     4.39(4)
_cell_length_b                     4.39(4)
_cell_length_c                     7.02(6)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       117.2
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 63 m c'
_symmetry_Int_Tables_number        186
_symmetry_cell_setting             hexagonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-y,-x,z'
  'y-x,y,z'
  'x,x-y,z'
  '-x,-y,1/2+z'
  'y,y-x,1/2+z'
  'x-y,x,1/2+z'
  'y,x,1/2+z'
  'x-y,-y,1/2+z'
  '-x,y-x,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  F1-   -1.000
  N3-   -3.000
  H1+    1.000
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
  F1    F1-    2 b 0.3333 0.6667 0. 1.  0 d
  N1    N3-    2 b 0.3333 0.6667 0.375 1.  4 d
  H1    H1+    2 b -1. -1. -1. 1.  0 dum
  H2    H1+    6 c -1. -1. -1. 1.  0 dum