#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1011075.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_1011075
_chemical_name_systematic          'Dimercury(I) iodide'
_chemical_name_mineral             'Moschelite'
_chemical_compound_source          'synthetic'
_chemical_formula_structural       'Hg2 I2'
_chemical_formula_sum              'Hg2 I2'
_publ_section_title
;
The crystal stuctures of mercuric and mercurous iodides
;
loop_
_publ_author_name
  'Huggins, M L'
  'Magill, P L'
_journal_name_full                 'Journal of the American Chemical Society'
_journal_coden_ASTM                JACSAT
_journal_volume                    49
_journal_year                      1927
_journal_page_first                2357
_journal_page_last                 2367
_cell_length_a                     4.92
_cell_length_b                     4.92
_cell_length_c                     11.64
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       281.8
_cell_formula_units_Z              2
_exptl_crystal_density_meas        7.7
_symmetry_space_group_name_H-M     'I -4 m 2'
_symmetry_Int_Tables_number        119
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '-x,y,z'
  'x,-y,z'
  '-y,x,-z'
  'y,-x,-z'
  '-y,-x,-z'
  'y,x,-z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-x,1/2-y,1/2+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'
  '1/2-y,1/2-x,1/2-z'
  '1/2+y,1/2+x,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Hg1+   1.000
  I1-   -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   Hg1+   4 e 0. 0. 0.117 1.  0 d
  I1    I1-    4 e 0. 0. 0.353 1.  0 d