#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/26/7222626.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_7222626
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            'F4 H7 N'
_chemical_name_systematic        'N H4 (F (H F)3)'
_space_group_IT_number           161
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   7.721
_cell_length_b                   7.721
_cell_length_c                   12.212
_cell_volume                     630.470
_citation_journal_id_ASTM        ZNBAD2
_cod_data_source_file            Mootz_ZNBAD2_1984_621.cif
_cod_data_source_block           H7F4N1
_cod_original_cell_volume        630.4702
_cod_original_formula_sum        'H7 F4 N1'
_cod_database_code               7222626
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-y,-x,z+1/2
x,x-y,z+1/2
-x+y,y,z+1/2
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-y+2/3,-x+1/3,z+5/6
x+2/3,x-y+1/3,z+5/6
-x+y+2/3,y+1/3,z+5/6
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-y+1/3,-x+2/3,z+7/6
x+1/3,x-y+2/3,z+7/6
-x+y+1/3,y+2/3,z+7/6
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 0.096 -0.011 -0.023 1 0.0
F2 F-1 0.30745 -0.00522 0.25909 1 0.0
H1 H+1 0.209 -0.002 0.251 1 0.0
N1 N-3 0 0 0 1 0.0
F1 F-1 0 0 0.23923 1 0.0
H3 H+1 0 0 0.07 1 0.0
