#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/06/1010632.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_1010632
loop_
_publ_author_name
'Mooney, R C L'
_publ_section_title
;
The crystal structure of Ammonium chlorobromoiodide
;
_journal_coden_ASTM              BAPSA6
_journal_name_full
;
Bulletin of the American Physical Society (-30,1955)
;
_journal_page_first              30
_journal_page_last               30
_journal_volume                  10
_journal_year                    1935
_chemical_formula_structural     '(N H4) Cl Br I'
_chemical_formula_sum            'Br Cl H4 I N'
_chemical_name_systematic        'Ammonium chlorobromoiodate(I)'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.14
_cell_length_b                   8.58
_cell_length_c                   10.03
_cell_volume                     528.4
_cod_original_formula_sum        'H4 Br Cl I N'
_cod_database_code               1010632
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-x,1/2-y,1/2+z
1/2+x,-y,-z
-x,1/2+y,1/2-z
-x,-y,-z
1/2+x,1/2+y,1/2-z
1/2-x,y,z
x,1/2-y,1/2+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
N1 N3- 4 c 0.25 0.0278 0.3639 1. 4 d
Cl1 Cl1- 4 c 0.25 0.375 0.1806 1. 0 d
I1 I1+ 4 c 0.25 0.5611 0.375 1. 0 d
Br1 Br1- 4 c 0.25 0.736 0.5639 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
N3- -3.000
H1+ 1.000
Cl1- -1.000
I1+ 1.000
Br1- -1.000
