#------------------------------------------------------------------------------
#$Date: 2017-09-11 16:25:09 +0300 (Mon, 11 Sep 2017) $
#$Revision: 200452 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/05/1010540.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_1010540
loop_
_publ_author_name
'Ketelaar, J A A'
_publ_section_title
;
Crystal Structure of the Low Temperature Modification of Ammonium
Bromide
;
_journal_coden_ASTM              NATUAS
_journal_name_full               'Nature (London)'
_journal_page_first              250
_journal_page_last               251
_journal_volume                  134
_journal_year                    1934
_chemical_formula_structural     'N H4 Br'
_chemical_formula_sum            'Br H4 N'
_chemical_name_systematic        'Ammonium bromide'
_space_group_IT_number           129
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.007(6)
_cell_length_b                   6.007(6)
_cell_length_c                   4.035(4)
_cell_volume                     145.6
_cod_original_sg_symbol_H-M      'P 4/n m m S'
_cod_original_formula_sum        'H4 Br N'
_cod_database_code               1010540
_cod_depositor_comments
;
 Removing dummy H atoms since the hydrogen atoms they represent are already
 marked using the _atom_site_attached_hydrogens data item.

 Antanas Vaitkus,
 2017-09-11
;
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
1/2+x,1/2+y,-z
1/2-x,1/2-y,-z
-x,y,z
x,-y,z
1/2-x,1/2+y,-z
1/2+x,1/2-y,-z
-y,x,-z
y,-x,-z
1/2-y,1/2+x,z
1/2+y,1/2-x,z
y,x,-z
-y,-x,-z
1/2+y,1/2+x,z
1/2-y,1/2-x,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Br1 Br1- 2 c 0. 0.5 0.030(5) 1. 0 d
N1 N3- 2 b 0. 0. 0.5 1. 4 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Br1- -1.000
N3- -3.000
