#------------------------------------------------------------------------------
#$Date: 2008-01-26 14:05:32 +0100 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/1/1008111.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_1008111
_chemical_name_systematic          'Ammonium chlorate(VII)'
_chemical_formula_structural       '(N H4) Cl O4'
_chemical_formula_sum              'H4 Cl N O4'
_publ_section_title
;
Neutron Diffraction Study of Ammonium Perchlorate
;
loop_
_publ_author_name
  'Smith, H G'
  'Levy, H A'
_journal_name_full                 'Acta Crystallographica (1,1948-23,1967)'
_journal_coden_ASTM                ACCRA9
_journal_volume                    15
_journal_year                      1962
_journal_page_first                1201
_journal_page_last                 1206
_cell_length_a                     9.2
_cell_length_b                     5.82
_cell_length_c                     7.45
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       398.9
_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
  N3-   -3.000
  Cl7+   7.000
  O2-   -2.000
  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
  N1    N3-    4 c 0.182(1) 0.75 0.166(1) 1.  4 d
  Cl1   Cl7+   4 c 0.432(1) 0.25 0.193(1) 1.  0 d
  O1    O2-    4 c 0.314(2) 0.25 0.061(1) 1.  0 d
  O2    O2-    4 c 0.570(1) 0.25 0.107(2) 1.  0 d
  O3    O2-    8 d 0.418(1) 0.053(2) 0.303(1) 1.  0 d
  H1    H1+    8 d -1. -1. -1. 2.  0 dum
_refine_ls_R_factor_all            0.08