The compound described by Hf6NiSb2 crystallizes in the hexagonal P-62m space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 4-coordinate geometry to two equivalent Ni(1) and two equivalent Sb(1) atoms. In the second Hf site, Hf(2) is bonded in a 5-coordinate geometry to one Ni(1) and four equivalent Sb(1) atoms. Ni(1) is bonded in a 9-coordinate geometry to three equivalent Hf(2) and six equivalent Hf(1) atoms. Sb(1) is bonded in a 9-coordinate geometry to three equivalent Hf(1) and six equivalent Hf(2) atoms. is represented by the CIF card [CIF]
data_Hf6NiSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.658
_cell_length_b   7.658
_cell_length_c   3.614
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   183.520
_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  0.761  0.000  0.500  1.0
  Hf  Hf1  1  0.239  0.239  0.500  1.0
  Hf  Hf2  1  0.000  0.761  0.500  1.0
  Hf  Hf3  1  0.000  0.398  0.000  1.0
  Hf  Hf4  1  0.602  0.602  0.000  1.0
  Hf  Hf5  1  0.398  0.000  0.000  1.0
  Ni  Ni6  1  0.000  0.000  0.000  1.0
  Sb  Sb7  1  0.333  0.667  0.500  1.0
  Sb  Sb8  1  0.667  0.333  0.500  1.0
[/CIF]
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The compound described by Hf6NiSb2 crystallizes in the hexagonal P-62m space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 4-coordinate geometry to two equivalent Ni(1) and two equivalent Sb(1) atoms. In the second Hf site, Hf(2) is bonded in a 5-coordinate geometry to one Ni(1) and four equivalent Sb(1) atoms. Ni(1) is bonded in a 9-coordinate geometry to three equivalent Hf(2) and six equivalent Hf(1) atoms. Sb(1) is bonded in a 9-coordinate geometry to three equivalent Hf(1) and six equivalent Hf(2) atoms. is represented by the CIF card [CIF]
data_Hf6NiSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.658
_cell_length_b   7.658
_cell_length_c   3.614
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   183.520
_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  0.761  0.000  0.500  1.0
  Hf  Hf1  1  0.239  0.239  0.500  1.0
  Hf  Hf2  1  0.000  0.761  0.500  1.0
  Hf  Hf3  1  0.000  0.398  0.000  1.0
  Hf  Hf4  1  0.602  0.602  0.000  1.0
  Hf  Hf5  1  0.398  0.000  0.000  1.0
  Ni  Ni6  1  0.000  0.000  0.000  1.0
  Sb  Sb7  1  0.333  0.667  0.500  1.0
  Sb  Sb8  1  0.667  0.333  0.500  1.0
[/CIF]
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