data_9016337
_publ_section_title
;
 The crystal structure of the ammonium halides above and below the
 transition temperature
 _cod_database_code 1011300
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              84
_journal_page_last               91
_journal_paper_doi               10.1021/ja01434a010
_journal_volume                  43
_journal_year                    1921
_chemical_formula_sum            'Br N'
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.988
_cell_length_b                   3.988
_cell_length_c                   3.988
_cell_volume                     63.426
_database_code_amcsd             0018147
_exptl_crystal_density_diffrn    2.459
_[local]_cod_cif_authors_sg_H-M  'P m 3 m'
_[local]_cod_chemical_formula_sum_orig 'N Br'
_cod_database_code               9016337
_amcsd_formula_title             'Br H4 N'
loop_
_space_group_symop_operation_xyz
x,y,z
z,-x,y
-y,z,-x
x,-y,z
-z,x,-y
y,-z,x
-x,y,-z
x,-z,-y
-z,y,x
y,-x,-z
-x,z,y
z,-y,-x
-y,x,z
x,z,y
-z,-y,-x
y,x,z
-x,-z,-y
z,y,x
-y,-x,-z
z,x,-y
-y,-z,x
x,y,-z
-z,-x,y
y,z,-x
-x,-y,z
-z,x,y
y,-z,-x
-x,y,z
z,-x,-y
-y,z,x
x,-y,-z
-x,z,-y
z,-y,x
-y,x,-z
x,-z,y
-z,y,-x
y,-x,z
-x,-z,y
z,y,-x
-y,-x,z
x,z,-y
-z,-y,x
y,x,-z
-z,-x,-y
y,z,x
-x,-y,-z
z,x,y
-y,-z,-x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 0.00000 0.00000 0.00000
Br1 0.50000 0.50000 0.50000
