The compound described by HfBHfBi is Zintl Phase-derived structured and crystallizes in the cubic F-43m space group. The structure consists of one HfB framework and one HfBi framework. In the HfB framework, Hf(2) is bonded to four equivalent B(1) atoms to form distorted corner-sharing HfB4 tetrahedra. B(1) is bonded to four equivalent Hf(2) atoms to form distorted corner-sharing BHf4 tetrahedra. In the HfBi framework, Hf(1) is bonded to four equivalent Bi(1) atoms to form distorted corner-sharing HfBi4 tetrahedra. Bi(1) is bonded to four equivalent Hf(1) atoms to form distorted corner-sharing BiHf4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf2BiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.856
_cell_length_b   4.856
_cell_length_c   4.856
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   80.990
_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
  Hf  Hf1  1  0.750  0.750  0.750  1.0
  Bi  Bi2  1  0.250  0.250  0.250  1.0
  B  B3  1  0.500  0.500  0.500  1.0
[/CIF]
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The compound described by HfBHfBi is Zintl Phase-derived structured and crystallizes in the cubic F-43m space group. The structure consists of one HfB framework and one HfBi framework. In the HfB framework, Hf(2) is bonded to four equivalent B(1) atoms to form distorted corner-sharing HfB4 tetrahedra. B(1) is bonded to four equivalent Hf(2) atoms to form distorted corner-sharing BHf4 tetrahedra. In the HfBi framework, Hf(1) is bonded to four equivalent Bi(1) atoms to form distorted corner-sharing HfBi4 tetrahedra. Bi(1) is bonded to four equivalent Hf(1) atoms to form distorted corner-sharing BiHf4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf2BiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.856
_cell_length_b   4.856
_cell_length_c   4.856
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   80.990
_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
  Hf  Hf1  1  0.750  0.750  0.750  1.0
  Bi  Bi2  1  0.250  0.250  0.250  1.0
  B  B3  1  0.500  0.500  0.500  1.0
[/CIF]
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