#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/26/7222627.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_7222627
loop_
_publ_author_name
'Mootz, D.'
'Poll, W.'
_publ_section_title
;
 Fluoride und Fluorosaeuren, VI. Verbindungsbildung und Kristallstrukturen
 im System Ammoniak-Fluorwasserstoff
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (33,1978-41,1986)
;
_journal_page_first              290
_journal_page_last               297
_journal_volume                  39
_journal_year                    1984
_chemical_formula_sum            'F5 H8 N'
_chemical_name_systematic        'N H4 (F (H F)4)1'
_space_group_IT_number           88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.4926
_cell_length_b                   6.4926
_cell_length_c                   13.22
_cell_volume                     557.274
_citation_journal_id_ASTM        ZNBAD2
_cod_data_source_file            Mootz_ZNBAD2_1984_622.cif
_cod_data_source_block           H8F5N1
_cod_original_formula_sum        'H8 F5 N1'
_cod_database_code               7222627
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+3/4,x+1/4,z+1/4
-x+1/2,-y,z+1/2
y+3/4,-x+3/4,z+3/4
-x,-y,-z
y-3/4,-x-1/4,-z-1/4
x-1/2,y,-z-1/2
-y-3/4,x-3/4,-z-3/4
x+1/2,y+1/2,z+1/2
-y+5/4,x+3/4,z+3/4
-x+1,-y+1/2,z+1
y+5/4,-x+5/4,z+5/4
-x+1/2,-y+1/2,-z+1/2
y-1/4,-x+1/4,-z+1/4
x,y+1/2,-z
-y-1/4,x-1/4,-z-1/4
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
H2 H+1 0.055 0.341 0.165 1 0.0
F1 F-1 0 0.25 0.625 1 0.0
F2 F-1 0.19796 0.49535 0.72606 1 0.0
H1 H+1 0.137 0.424 0.694 1 0.0
N1 N-3 0 0.25 0.125 1 0.0
