The material structure described by HgZn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Hg(1) is bonded to twelve Zn(1,1) atoms to form a mixture of face and corner-sharing HgZn12 cuboctahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 12-coordinate geometry to four equivalent Hg(1) and eight Zn(1,1) atoms. In the second Zn site, Zn(1) is bonded in a 12-coordinate geometry to four equivalent Hg(1) and eight Zn(1,1) atoms. is represented by the CIF file [CIF]
data_Zn3Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.879
_cell_length_b   5.879
_cell_length_c   4.608
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   137.921
_cell_formula_units_Z   2
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
  Zn  Zn0  1  0.158  0.317  0.250  1.0
  Zn  Zn1  1  0.683  0.842  0.250  1.0
  Zn  Zn2  1  0.158  0.842  0.250  1.0
  Zn  Zn3  1  0.842  0.683  0.750  1.0
  Zn  Zn4  1  0.317  0.158  0.750  1.0
  Zn  Zn5  1  0.842  0.158  0.750  1.0
  Hg  Hg6  1  0.333  0.667  0.750  1.0
  Hg  Hg7  1  0.667  0.333  0.250  1.0
[/CIF]
.
The material structure described by HgZn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Hg(1) is bonded to twelve Zn(1,1) atoms to form a mixture of face and corner-sharing HgZn12 cuboctahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 12-coordinate geometry to four equivalent Hg(1) and eight Zn(1,1) atoms. In the second Zn site, Zn(1) is bonded in a 12-coordinate geometry to four equivalent Hg(1) and eight Zn(1,1) atoms. is represented by the CIF file [CIF]
data_Zn3Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.879
_cell_length_b   5.879
_cell_length_c   4.608
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   137.921
_cell_formula_units_Z   2
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
  Zn  Zn0  1  0.158  0.317  0.250  1.0
  Zn  Zn1  1  0.683  0.842  0.250  1.0
  Zn  Zn2  1  0.158  0.842  0.250  1.0
  Zn  Zn3  1  0.842  0.683  0.750  1.0
  Zn  Zn4  1  0.317  0.158  0.750  1.0
  Zn  Zn5  1  0.842  0.158  0.750  1.0
  Hg  Hg6  1  0.333  0.667  0.750  1.0
  Hg  Hg7  1  0.667  0.333  0.250  1.0
[/CIF]
.