The crystal structure described by HfBi3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Hf(1) is bonded to four equivalent Bi(2) and eight equivalent Bi(1) atoms to form HfBi12 cuboctahedra that share corners with four equivalent Hf(1)Bi12 cuboctahedra, edges with eight equivalent Hf(1)Bi12 cuboctahedra, edges with sixteen equivalent Bi(1)Hf4Bi8 cuboctahedra, faces with four equivalent Hf(1)Bi12 cuboctahedra, and faces with eight equivalent Bi(1)Hf4Bi8 cuboctahedra. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to four equivalent Hf(1), four equivalent Bi(1), and four equivalent Bi(2) atoms to form distorted BiHf4Bi8 cuboctahedra that share corners with twelve equivalent Bi(1)Hf4Bi8 cuboctahedra, edges with eight equivalent Hf(1)Bi12 cuboctahedra, edges with eight equivalent Bi(1)Hf4Bi8 cuboctahedra, faces with four equivalent Hf(1)Bi12 cuboctahedra, and faces with ten equivalent Bi(1)Hf4Bi8 cuboctahedra. In the second Bi site, Bi(2) is bonded in a square co-planar geometry to four equivalent Hf(1) and eight equivalent Bi(1) atoms. is represented by the CIF card [CIF]
data_HfBi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.200
_cell_length_b   6.200
_cell_length_c   6.200
_cell_angle_alpha   136.145
_cell_angle_beta   136.145
_cell_angle_gamma   63.757
_symmetry_Int_Tables_number   1
_cell_volume   112.915
_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
  Hf  Hf0  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 HfBi3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Hf(1) is bonded to four equivalent Bi(2) and eight equivalent Bi(1) atoms to form HfBi12 cuboctahedra that share corners with four equivalent Hf(1)Bi12 cuboctahedra, edges with eight equivalent Hf(1)Bi12 cuboctahedra, edges with sixteen equivalent Bi(1)Hf4Bi8 cuboctahedra, faces with four equivalent Hf(1)Bi12 cuboctahedra, and faces with eight equivalent Bi(1)Hf4Bi8 cuboctahedra. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to four equivalent Hf(1), four equivalent Bi(1), and four equivalent Bi(2) atoms to form distorted BiHf4Bi8 cuboctahedra that share corners with twelve equivalent Bi(1)Hf4Bi8 cuboctahedra, edges with eight equivalent Hf(1)Bi12 cuboctahedra, edges with eight equivalent Bi(1)Hf4Bi8 cuboctahedra, faces with four equivalent Hf(1)Bi12 cuboctahedra, and faces with ten equivalent Bi(1)Hf4Bi8 cuboctahedra. In the second Bi site, Bi(2) is bonded in a square co-planar geometry to four equivalent Hf(1) and eight equivalent Bi(1) atoms. is represented by the CIF card [CIF]
data_HfBi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.200
_cell_length_b   6.200
_cell_length_c   6.200
_cell_angle_alpha   136.145
_cell_angle_beta   136.145
_cell_angle_gamma   63.757
_symmetry_Int_Tables_number   1
_cell_volume   112.915
_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
  Hf  Hf0  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]
.