The material structure described by Hg3Bi is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. Hg(1) is bonded to eight equivalent Hg(1) and four equivalent Bi(1) atoms to form distorted HgHg8Bi4 cuboctahedra that share corners with twelve equivalent Hg(1)Hg8Bi4 cuboctahedra, edges with eight equivalent Bi(1)Hg12 cuboctahedra, edges with sixteen equivalent Hg(1)Hg8Bi4 cuboctahedra, faces with four equivalent Bi(1)Hg12 cuboctahedra, and faces with fourteen equivalent Hg(1)Hg8Bi4 cuboctahedra. Bi(1) is bonded to twelve equivalent Hg(1) atoms to form BiHg12 cuboctahedra that share corners with twelve equivalent Bi(1)Hg12 cuboctahedra, edges with twenty-four equivalent Hg(1)Hg8Bi4 cuboctahedra, faces with six equivalent Bi(1)Hg12 cuboctahedra, and faces with twelve equivalent Hg(1)Hg8Bi4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hg3Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.759
_cell_length_b   4.759
_cell_length_c   4.759
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   107.801
_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  0.500  0.000  0.000  1.0
  Hg  Hg1  1  0.000  0.500  0.000  1.0
  Hg  Hg2  1  0.000  0.000  0.500  1.0
  Bi  Bi3  1  0.500  0.500  0.500  1.0
[/CIF]
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The material structure described by Hg3Bi is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. Hg(1) is bonded to eight equivalent Hg(1) and four equivalent Bi(1) atoms to form distorted HgHg8Bi4 cuboctahedra that share corners with twelve equivalent Hg(1)Hg8Bi4 cuboctahedra, edges with eight equivalent Bi(1)Hg12 cuboctahedra, edges with sixteen equivalent Hg(1)Hg8Bi4 cuboctahedra, faces with four equivalent Bi(1)Hg12 cuboctahedra, and faces with fourteen equivalent Hg(1)Hg8Bi4 cuboctahedra. Bi(1) is bonded to twelve equivalent Hg(1) atoms to form BiHg12 cuboctahedra that share corners with twelve equivalent Bi(1)Hg12 cuboctahedra, edges with twenty-four equivalent Hg(1)Hg8Bi4 cuboctahedra, faces with six equivalent Bi(1)Hg12 cuboctahedra, and faces with twelve equivalent Hg(1)Hg8Bi4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hg3Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.759
_cell_length_b   4.759
_cell_length_c   4.759
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   107.801
_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  0.500  0.000  0.000  1.0
  Hg  Hg1  1  0.000  0.500  0.000  1.0
  Hg  Hg2  1  0.000  0.000  0.500  1.0
  Bi  Bi3  1  0.500  0.500  0.500  1.0
[/CIF]
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