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#$Date: 2025-08-19 22:00:13 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301809 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/31/08/2310874.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2310874
loop_
_publ_author_name
'Jerslev, B.'
_publ_section_title
;
 The structure of hydroxylammonium chloride, N H3 O H Cl, and
 hydroxylammonium bromide, N H3 O H Br
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              21
_journal_page_last               27
_journal_volume                  1
_journal_year                    1948
_chemical_formula_sum            'Br H4 N O'
_chemical_name_systematic        '(N H3 (O H)) Br'
_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                 120.8
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.29
_cell_length_b                   6.13
_cell_length_c                   8.04
_cell_volume                     308.615
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Jerslev_ACCRA9_1948_1040.cif
_cod_data_source_block           H4Br1N1O1
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-08-09
;
_cod_original_cell_volume        308.6149
_cod_original_formula_sum        'H4 Br1 N1 O1'
_cod_database_code               2310874
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
_atom_site_attached_hydrogens
Br1 Br-1 0.24 0.19 0.397 1 0.0 0
O1 O-2 0.263 0.864 0.116 1 0.0 1
N1 N-1 0.286 0.667 0.226 1 0.0 3
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 10154029
