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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/26/7222628.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_7222628
loop_
_publ_author_name
'Mootz, D.'
'Poll, W.'
_publ_section_title
;
 Fluoride und Fluorosaeuren, VI. Verbindunqsbildung 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            'F8 H11 N'
_chemical_name_systematic        'N H4 (H F2 (H F)3) (H F)3'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.43
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.932
_cell_length_b                   7.565
_cell_length_c                   14.75
_cell_volume                     749.097
_citation_journal_id_ASTM        ZNBAD2
_cod_data_source_file            Mootz_ZNBAD2_1984_623.cif
_cod_data_source_block           H11F8N1
_cod_original_cell_volume        749.0969
_cod_original_formula_sum        'H11 F8 N1'
_cod_database_code               7222628
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
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
N1 N-3 0.09933 0.11118 0.66398 1 0.0
H8 H+1 0.098 0.147 0.606 1 0.0
F6 F-1 0.97779 0.80003 0.53443 1 0.0
H5 H+1 0.929 0.701 0.551 1 0.0
F8 F-1 0.23232 0.11189 0.30852 1 0.0
H2 H+1 0.441 0.505 0.669 1 0.0
H9 H+1 0 0.162 0.702 1 0.0
F7 F-1 0.57914 0.07628 0.41234 1 0.0
F3 F-1 0.39005 0.34581 0.60729 1 0.0
H6 H+1 0.603 0.154 0.451 1 0.0
F5 F-1 0.90376 0.50066 0.59567 1 0.0
H11 H+1 0.043 0.03 0.647 1 0.0
H1 H+1 0.29 0.716 0.733 1 0.0
H3 H+1 0.494 0.324 0.574 1 0.0
F2 F-1 0.48153 0.59357 0.71008 1 0.0
F4 F-1 0.63821 0.29853 0.53138 1 0.0
H10 H+1 0.201 0.126 0.702 1 0.0
H7 H+1 0.335 0.102 0.342 1 0.0
H4 H+1 0.811 0.441 0.569 1 0.0
F1 F-1 0.20383 0.77086 0.74984 1 0.0
