#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1010499.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_1010499
_chemical_name_systematic          'Mercury cyanide'
_chemical_formula_structural       'Hg (C N)2'
_chemical_formula_sum              'Hg N2'
_publ_section_title
;
Roentgenographische Untersuchung des tetragonal kristallisierenden
Quecksilberzyanids.
;
_publ_author_name                  'Hassel, O'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    64
_journal_year                      1926
_journal_page_first                218
_journal_page_last                 223
_cell_length_a                     9.67
_cell_length_b                     9.67
_cell_length_c                     8.92
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       834.1
_cell_formula_units_Z              8
_symmetry_space_group_name_H-M     'I -4 2 d S'
_symmetry_Int_Tables_number        122
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '-y,x,-z'
  'y,-x,-z'
  '1/2-x,y,1/4-z'
  '1/2+x,-y,1/4-z'
  '1/2+y,x,1/4+z'
  '1/2-y,-x,1/4+z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-x,1/2-y,1/2+z'
  '1/2-y,1/2+x,1/2-z'
  '1/2+y,1/2-x,1/2-z'
  '-x,1/2+y,3/4-z'
  'x,1/2-y,3/4-z'
  'y,1/2+x,3/4+z'
  '-y,1/2-x,3/4+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Hg2+   2.000
  C2+    2.000
  N3-   -3.000
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
  Hg1   Hg2+   8 d 0.25 0.21 0.125 1.  0 d
  C1    C2+   16 ? -1. -1. -1. 1.  0 dum
  N1    N3-   16 ? -1. -1. -1. 1.  0 dum