#------------------------------------------------------------------------------
#$Date: 2025-08-18 17:33:07 +0200 (Mon 18 de Aug de 2025) $
#$Revision: 301779 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/22/1542242.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_1542242
loop_
_publ_author_name
'Sarin, V.A.'
'Dudarev, V.Ya.'
'Dobrynina, T.A.'
'Zavodnik, V.E.'
_publ_section_title
;
 An X-Ray structural investigation of N H4 F H2 O2 crystals
;
_journal_name_full               Kristallografiya
_journal_page_first              824
_journal_page_last               825
_journal_volume                  24
_journal_year                    1979
_chemical_formula_sum            'F H6 N O2'
_chemical_name_systematic        'N H4 F H2 O2'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.082
_cell_length_b                   9.164
_cell_length_c                   4.434
_cell_volume                     328.397
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Sarin_KRISAJ_1979_793.cif
_cod_data_source_block           H6F1N1O2
_cod_original_cell_volume        328.3973
_cod_original_formula_sum        'H6 F1 N1 O2'
_cod_database_code               1542242
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,z
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 0.2366 0.25 0.543 1 0.0
H3 H+1 0.2191 0.25 0.897 1 0.0
H1 H+1 0.0223 0.4073 0.2923 1 0.0
H4 H+1 0.3621 0.3397 0.747 1 0.0
N1 N-3 0.2946 0.25 0.7294 1 0.0
F1 F-1 0.0948 0.25 0.2179 1 0.0
O1 O-1 0.4803 -0.0022 0.1621 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139047912
