The material described by HfBi crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 5-coordinate geometry to two equivalent Bi(2) and three equivalent Bi(1) atoms. In the second Hf site, Hf(2) is bonded in a 7-coordinate geometry to two equivalent Bi(1) and five equivalent Bi(2) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to three equivalent Hf(1) and four equivalent Hf(2) atoms. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one Hf(1) and five equivalent Hf(2) atoms. is represented by the CIF file [CIF]
data_HfBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.815
_cell_length_b   5.728
_cell_length_c   14.307
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   109.452
_symmetry_Int_Tables_number   1
_cell_volume   294.819
_cell_formula_units_Z   6
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  0.400  0.801  0.250  1.0
  Hf  Hf1  1  0.600  0.199  0.750  1.0
  Hf  Hf2  1  0.071  0.143  0.110  1.0
  Hf  Hf3  1  0.928  0.857  0.890  1.0
  Hf  Hf4  1  0.928  0.857  0.610  1.0
  Hf  Hf5  1  0.071  0.143  0.390  1.0
  Bi  Bi6  1  0.684  0.368  0.250  1.0
  Bi  Bi7  1  0.316  0.632  0.750  1.0
  Bi  Bi8  1  0.359  0.718  0.050  1.0
  Bi  Bi9  1  0.641  0.282  0.950  1.0
  Bi  Bi10  1  0.641  0.282  0.550  1.0
  Bi  Bi11  1  0.359  0.718  0.450  1.0
[/CIF]
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The material described by HfBi crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 5-coordinate geometry to two equivalent Bi(2) and three equivalent Bi(1) atoms. In the second Hf site, Hf(2) is bonded in a 7-coordinate geometry to two equivalent Bi(1) and five equivalent Bi(2) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to three equivalent Hf(1) and four equivalent Hf(2) atoms. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one Hf(1) and five equivalent Hf(2) atoms. is represented by the CIF file [CIF]
data_HfBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.815
_cell_length_b   5.728
_cell_length_c   14.307
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   109.452
_symmetry_Int_Tables_number   1
_cell_volume   294.819
_cell_formula_units_Z   6
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  0.400  0.801  0.250  1.0
  Hf  Hf1  1  0.600  0.199  0.750  1.0
  Hf  Hf2  1  0.071  0.143  0.110  1.0
  Hf  Hf3  1  0.928  0.857  0.890  1.0
  Hf  Hf4  1  0.928  0.857  0.610  1.0
  Hf  Hf5  1  0.071  0.143  0.390  1.0
  Bi  Bi6  1  0.684  0.368  0.250  1.0
  Bi  Bi7  1  0.316  0.632  0.750  1.0
  Bi  Bi8  1  0.359  0.718  0.050  1.0
  Bi  Bi9  1  0.641  0.282  0.950  1.0
  Bi  Bi10  1  0.641  0.282  0.550  1.0
  Bi  Bi11  1  0.359  0.718  0.450  1.0
[/CIF]
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