#------------------------------------------------------------------------------
#$Date: 2009-05-13 21:45:18 +0300 (Wed, 13 May 2009) $
#$Revision: 720 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1010632.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
_chemical_name_systematic          'Ammonium chlorobromoiodate(I)'
_chemical_formula_structural       '(N H4) Cl Br I'
_chemical_formula_sum              'H4 Br Cl I N'
_publ_section_title
;
The crystal structure of Ammonium chlorobromoiodide
;
loop_
_publ_author_name                  'Mooney, R C L'
_journal_name_full
;
Bulletin of the American Physical Society (-30,1955)
;
_journal_coden_ASTM                BAPSA6
_journal_volume                    10
_journal_year                      1935
_journal_page_first                30
_journal_page_last                 30
_cell_length_a                     6.14
_cell_length_b                     8.58
_cell_length_c                     10.03
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       528.4
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P m c n'
_symmetry_Int_Tables_number        62
_symmetry_cell_setting             orthorhombic
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_type_symbol
_atom_type_oxidation_number
  N3-   -3.000
  H1+    1.000
  Cl1-  -1.000
  I1+    1.000
  Br1-  -1.000
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
  H1    H1+    4 c -1. -1. -1. 4.  0 dum
  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