The compound described by HfB6 is Calcium hexaboride structured and crystallizes in the cubic Pm-3m space group. Hf(1) is bonded in a 24-coordinate geometry to twenty-four equivalent B(1) atoms. B(1) is bonded in a 5-coordinate geometry to four equivalent Hf(1) and five equivalent B(1) atoms. is represented by the CIF file [CIF]
data_HfB6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.036
_cell_length_b   4.036
_cell_length_c   4.036
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   65.751
_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
  B  B1  1  0.197  0.500  0.500  1.0
  B  B2  1  0.500  0.500  0.803  1.0
  B  B3  1  0.500  0.500  0.197  1.0
  B  B4  1  0.500  0.197  0.500  1.0
  B  B5  1  0.500  0.803  0.500  1.0
  B  B6  1  0.803  0.500  0.500  1.0
[/CIF]
.
The compound described by HfB6 is Calcium hexaboride structured and crystallizes in the cubic Pm-3m space group. Hf(1) is bonded in a 24-coordinate geometry to twenty-four equivalent B(1) atoms. B(1) is bonded in a 5-coordinate geometry to four equivalent Hf(1) and five equivalent B(1) atoms. is represented by the CIF file [CIF]
data_HfB6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.036
_cell_length_b   4.036
_cell_length_c   4.036
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   65.751
_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
  B  B1  1  0.197  0.500  0.500  1.0
  B  B2  1  0.500  0.500  0.803  1.0
  B  B3  1  0.500  0.500  0.197  1.0
  B  B4  1  0.500  0.197  0.500  1.0
  B  B5  1  0.500  0.803  0.500  1.0
  B  B6  1  0.803  0.500  0.500  1.0
[/CIF]
.