The crystal structure described by Cu2HgI4 crystallizes in the tetragonal P-42m space group. Cu(1) is bonded to four equivalent I(1) atoms to form CuI4 tetrahedra that share corners with four equivalent Cu(1)I4 tetrahedra and corners with four equivalent Hg(1)I4 tetrahedra. Hg(1) is bonded to four equivalent I(1) atoms to form HgI4 tetrahedra that share corners with eight equivalent Cu(1)I4 tetrahedra. I(1) is bonded in a trigonal non-coplanar geometry to two equivalent Cu(1) and one Hg(1) atom. is represented by the CIF card [CIF]
data_Cu2HgI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.084
_cell_length_b   6.084
_cell_length_c   6.339
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   234.648
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Cu  Cu0  1  0.000  0.500  0.500  1.0
  Cu  Cu1  1  0.500  0.000  0.500  1.0
  Hg  Hg2  1  0.000  0.000  0.000  1.0
  I  I3  1  0.267  0.267  0.267  1.0
  I  I4  1  0.733  0.733  0.267  1.0
  I  I5  1  0.267  0.733  0.733  1.0
  I  I6  1  0.733  0.267  0.733  1.0
[/CIF]
.
The crystal structure described by Cu2HgI4 crystallizes in the tetragonal P-42m space group. Cu(1) is bonded to four equivalent I(1) atoms to form CuI4 tetrahedra that share corners with four equivalent Cu(1)I4 tetrahedra and corners with four equivalent Hg(1)I4 tetrahedra. Hg(1) is bonded to four equivalent I(1) atoms to form HgI4 tetrahedra that share corners with eight equivalent Cu(1)I4 tetrahedra. I(1) is bonded in a trigonal non-coplanar geometry to two equivalent Cu(1) and one Hg(1) atom. is represented by the CIF card [CIF]
data_Cu2HgI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.084
_cell_length_b   6.084
_cell_length_c   6.339
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   234.648
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Cu  Cu0  1  0.000  0.500  0.500  1.0
  Cu  Cu1  1  0.500  0.000  0.500  1.0
  Hg  Hg2  1  0.000  0.000  0.000  1.0
  I  I3  1  0.267  0.267  0.267  1.0
  I  I4  1  0.733  0.733  0.267  1.0
  I  I5  1  0.267  0.733  0.733  1.0
  I  I6  1  0.733  0.267  0.733  1.0
[/CIF]
.