#------------------------------------------------------------------------------
#$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1010013.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_1010013
_chemical_name_systematic          'Ammonium mercury trichloride'
_chemical_formula_structural       'N H4 Hg Cl3'
_chemical_formula_sum            'Cl3 H4 Hg N'
_[local]_cod_chemical_formula_sum_orig 'H4 Cl3 Hg N'
_publ_section_title                'The crystal structure of N H~4~ Hg Cl~3~'
loop_
_publ_author_name                  'Harmsen, E J'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    100
_journal_year                      1938
_journal_page_first                208
_journal_page_last                 211
_cell_length_a                     4.19(2)
_cell_length_b                     4.19
_cell_length_c                     7.94(3)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       139.4
_cell_formula_units_Z              1
_exptl_crystal_density_meas        3.96
_symmetry_space_group_name_H-M     'P -4'
_symmetry_Int_Tables_number        81
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  'y,-x,-z'
  '-y,x,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Hg2+   2.000
  Cl1-  -1.000
  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
  Hg1   Hg2+   1 a 0. 0. 0. 1.  0 d
  Cl1   Cl1-   1 c 0.5 0.5 0. 1.  0 d
  Cl2   Cl1-   2 e 0. 0. 0.2944 1.  0 d
  N1    N3-    1 d 0.5 0.5 0.5 1.  4 d
  H1    H1+    4 h -1. -1. -1. 1.  0 dum