#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1010612.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_1010612
_chemical_name_systematic          'Ammonium chlorate(VII)'
_chemical_formula_structural       'N H4 Cl O4'
_chemical_formula_sum            'Cl H4 N O4'
_[local]_cod_chemical_formula_sum_orig 'H4 Cl N O4'
_publ_section_title
;
Die Struktur von Kalium- und Ammoniumperchlorat
;
loop_
_publ_author_name
  'Gottfried, C'
  'Schusterius, C'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    84
_journal_year                      1932
_journal_page_first                65
_journal_page_last                 73
_cell_length_a                     9.202(6)
_cell_length_b                     5.815(4)
_cell_length_c                     7.449(5)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       398.6
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P n m a'
_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'
  '-x,1/2+y,-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2+y,1/2+z'
  'x,1/2-y,z'
  '1/2+x,y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  O2-   -2.000
  Cl7+   7.000
  N3-   -3.000
  H1+    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
  O1    O2-    4 c 0.169 0.25 0.05 1.  0 d
  O2    O2-    4 c 0.078 0.25 0.1 1.  0 d
  O3    O2-    8 d 0.075 0.042 0.181 1.  0 d
  Cl1   Cl7+   4 c 0.067 0.25 0.194 1.  0 d
  N1    N3-    4 c 0.197 0.25 0.172 1.  4 d
  H1    H1+    4 c -1. -1. -1. 4.  0 dum
_cod_database_code 1010612