The material structure described by Hf3(Ni10B3)2 crystallizes in the cubic Fm-3m space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded to twelve equivalent Ni(2) atoms to form distorted HfNi12 cuboctahedra that share edges with twenty-four equivalent Ni(1)HfNi6B3 tetrahedra and faces with eight equivalent Hf(2)Ni16 tetrahedra. In the second Hf site, Hf(2) is bonded to four equivalent Ni(1) and twelve equivalent Ni(2) atoms to form distorted HfNi16 tetrahedra that share edges with six equivalent Hf(2)Ni16 tetrahedra, edges with twelve equivalent Ni(1)HfNi6B3 tetrahedra, faces with four equivalent Hf(1)Ni12 cuboctahedra, and faces with four equivalent Ni(1)HfNi6B3 tetrahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one Hf(2), six equivalent Ni(2), and three equivalent B(1) atoms to form distorted NiHfNi6B3 tetrahedra that share corners with three equivalent Ni(1)HfNi6B3 tetrahedra, edges with three equivalent Hf(1)Ni12 cuboctahedra, edges with three equivalent Hf(2)Ni16 tetrahedra, edges with three equivalent Ni(1)HfNi6B3 tetrahedra,  a faceface with one Hf(2)Ni16 tetrahedra, and faces with six equivalent Ni(1)HfNi6B3 tetrahedra. In the second Ni site, Ni(2) is bonded in a 14-coordinate geometry to one Hf(1), two equivalent Hf(2), four equivalent Ni(1), five equivalent Ni(2), and two equivalent B(1) atoms. B(1) is bonded in a 8-coordinate geometry to four equivalent Ni(1) and four equivalent Ni(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf3(Ni10B3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.533
_cell_length_b   7.533
_cell_length_c   7.533
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   302.300
_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
  Hf  Hf2  1  0.250  0.250  0.250  1.0
  Ni  Ni3  1  0.614  0.614  0.158  1.0
  Ni  Ni4  1  0.614  0.158  0.614  1.0
  Ni  Ni5  1  0.158  0.614  0.614  1.0
  Ni  Ni6  1  0.614  0.614  0.614  1.0
  Ni  Ni7  1  0.386  0.386  0.842  1.0
  Ni  Ni8  1  0.386  0.842  0.386  1.0
  Ni  Ni9  1  0.842  0.386  0.386  1.0
  Ni  Ni10  1  0.386  0.386  0.386  1.0
  Ni  Ni11  1  0.000  0.000  0.344  1.0
  Ni  Ni12  1  0.656  0.000  0.344  1.0
  Ni  Ni13  1  0.000  0.656  0.344  1.0
  Ni  Ni14  1  0.656  0.344  0.000  1.0
  Ni  Ni15  1  0.000  0.344  0.000  1.0
  Ni  Ni16  1  0.000  0.344  0.656  1.0
  Ni  Ni17  1  0.344  0.656  0.000  1.0
  Ni  Ni18  1  0.344  0.000  0.656  1.0
  Ni  Ni19  1  0.344  0.000  0.000  1.0
  Ni  Ni20  1  0.000  0.000  0.656  1.0
  Ni  Ni21  1  0.000  0.656  0.000  1.0
  Ni  Ni22  1  0.656  0.000  0.000  1.0
  B  B23  1  0.733  0.733  0.267  1.0
  B  B24  1  0.267  0.733  0.267  1.0
  B  B25  1  0.733  0.267  0.267  1.0
  B  B26  1  0.267  0.267  0.733  1.0
  B  B27  1  0.733  0.267  0.733  1.0
  B  B28  1  0.267  0.733  0.733  1.0
[/CIF]
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The material structure described by Hf3(Ni10B3)2 crystallizes in the cubic Fm-3m space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded to twelve equivalent Ni(2) atoms to form distorted HfNi12 cuboctahedra that share edges with twenty-four equivalent Ni(1)HfNi6B3 tetrahedra and faces with eight equivalent Hf(2)Ni16 tetrahedra. In the second Hf site, Hf(2) is bonded to four equivalent Ni(1) and twelve equivalent Ni(2) atoms to form distorted HfNi16 tetrahedra that share edges with six equivalent Hf(2)Ni16 tetrahedra, edges with twelve equivalent Ni(1)HfNi6B3 tetrahedra, faces with four equivalent Hf(1)Ni12 cuboctahedra, and faces with four equivalent Ni(1)HfNi6B3 tetrahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one Hf(2), six equivalent Ni(2), and three equivalent B(1) atoms to form distorted NiHfNi6B3 tetrahedra that share corners with three equivalent Ni(1)HfNi6B3 tetrahedra, edges with three equivalent Hf(1)Ni12 cuboctahedra, edges with three equivalent Hf(2)Ni16 tetrahedra, edges with three equivalent Ni(1)HfNi6B3 tetrahedra,  a faceface with one Hf(2)Ni16 tetrahedra, and faces with six equivalent Ni(1)HfNi6B3 tetrahedra. In the second Ni site, Ni(2) is bonded in a 14-coordinate geometry to one Hf(1), two equivalent Hf(2), four equivalent Ni(1), five equivalent Ni(2), and two equivalent B(1) atoms. B(1) is bonded in a 8-coordinate geometry to four equivalent Ni(1) and four equivalent Ni(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf3(Ni10B3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.533
_cell_length_b   7.533
_cell_length_c   7.533
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   302.300
_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
  Hf  Hf2  1  0.250  0.250  0.250  1.0
  Ni  Ni3  1  0.614  0.614  0.158  1.0
  Ni  Ni4  1  0.614  0.158  0.614  1.0
  Ni  Ni5  1  0.158  0.614  0.614  1.0
  Ni  Ni6  1  0.614  0.614  0.614  1.0
  Ni  Ni7  1  0.386  0.386  0.842  1.0
  Ni  Ni8  1  0.386  0.842  0.386  1.0
  Ni  Ni9  1  0.842  0.386  0.386  1.0
  Ni  Ni10  1  0.386  0.386  0.386  1.0
  Ni  Ni11  1  0.000  0.000  0.344  1.0
  Ni  Ni12  1  0.656  0.000  0.344  1.0
  Ni  Ni13  1  0.000  0.656  0.344  1.0
  Ni  Ni14  1  0.656  0.344  0.000  1.0
  Ni  Ni15  1  0.000  0.344  0.000  1.0
  Ni  Ni16  1  0.000  0.344  0.656  1.0
  Ni  Ni17  1  0.344  0.656  0.000  1.0
  Ni  Ni18  1  0.344  0.000  0.656  1.0
  Ni  Ni19  1  0.344  0.000  0.000  1.0
  Ni  Ni20  1  0.000  0.000  0.656  1.0
  Ni  Ni21  1  0.000  0.656  0.000  1.0
  Ni  Ni22  1  0.656  0.000  0.000  1.0
  B  B23  1  0.733  0.733  0.267  1.0
  B  B24  1  0.267  0.733  0.267  1.0
  B  B25  1  0.733  0.267  0.267  1.0
  B  B26  1  0.267  0.267  0.733  1.0
  B  B27  1  0.733  0.267  0.733  1.0
  B  B28  1  0.267  0.733  0.733  1.0
[/CIF]
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