#------------------------------------------------------------------------------
#$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1010356.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_1010356
_chemical_name_systematic          'Ammonium trinitrocadmate'
_chemical_formula_structural       'N H4 Cd (N O2)3'
_chemical_formula_sum            'Cd H4 N4 O6'
_[local]_cod_chemical_formula_sum_orig 'H4 Cd N4 O6'
_publ_section_title                'Cadmionitriti di metalli monovalenti'
loop_
_publ_author_name
  'Ferrari, A'
  'Baroni, A'
  'Colla, C'
_journal_name_full                 'Gazzetta Chimica Italiana'
_journal_coden_ASTM                GCITA9
_journal_volume                    65
_journal_year                      1935
_journal_page_first                797
_journal_page_last                 809
_cell_length_a                     5.355
_cell_length_b                     5.355
_cell_length_c                     5.355
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       153.6
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'P m -3'
_symmetry_Int_Tables_number        200
_symmetry_cell_setting             cubic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,-z'
  '-x,y,-z'
  '-x,-y,z'
  'y,z,x'
  '-y,-z,x'
  'y,-z,-x'
  '-y,z,-x'
  'z,x,y'
  '-z,x,-y'
  '-z,-x,y'
  'z,-x,-y'
  '-x,-y,-z'
  '-x,y,z'
  'x,-y,z'
  'x,y,-z'
  '-y,-z,-x'
  'y,z,-x'
  '-y,z,x'
  'y,-z,x'
  '-z,-x,-y'
  'z,-x,y'
  'z,x,-y'
  '-z,x,y'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cd2+   2.000
  N3-   -3.000
  N3+    3.000
  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
  Cd1   Cd2+   1 b 0.5 0.5 0.5 1.  0 d
  N1    N3-    1 a 0. 0. 0. 1.  4 d
  N2    N3+    3 c 0. 0.5 0.5 1.  0 d
  O1    O2-    6 g 0. 0.24 0.5 1.  0 d
  H1    H1+    8 i -1. -1. -1. 0.5  0 dum