The crystal structure described by HgBi3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. Hg(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Bi(1) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to four equivalent Hg(1), four equivalent Bi(1), and four equivalent Bi(2) atoms to form a mixture of distorted face, corner, and edge-sharing BiHg4Bi8 cuboctahedra. In the second Bi site, Bi(2) is bonded in a distorted body-centered cubic geometry to eight equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_HgBi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.876
_cell_length_b   5.876
_cell_length_c   5.876
_cell_angle_alpha   128.473
_cell_angle_beta   128.473
_cell_angle_gamma   75.860
_symmetry_Int_Tables_number   1
_cell_volume   120.956
_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
  Hg  Hg0  1  0.000  0.000  0.000  1.0
  Bi  Bi1  1  0.750  0.250  0.500  1.0
  Bi  Bi2  1  0.250  0.750  0.500  1.0
  Bi  Bi3  1  0.500  0.500  0.000  1.0
[/CIF]
.
The crystal structure described by HgBi3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. Hg(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Bi(1) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to four equivalent Hg(1), four equivalent Bi(1), and four equivalent Bi(2) atoms to form a mixture of distorted face, corner, and edge-sharing BiHg4Bi8 cuboctahedra. In the second Bi site, Bi(2) is bonded in a distorted body-centered cubic geometry to eight equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_HgBi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.876
_cell_length_b   5.876
_cell_length_c   5.876
_cell_angle_alpha   128.473
_cell_angle_beta   128.473
_cell_angle_gamma   75.860
_symmetry_Int_Tables_number   1
_cell_volume   120.956
_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
  Hg  Hg0  1  0.000  0.000  0.000  1.0
  Bi  Bi1  1  0.750  0.250  0.500  1.0
  Bi  Bi2  1  0.250  0.750  0.500  1.0
  Bi  Bi3  1  0.500  0.500  0.000  1.0
[/CIF]
.