The crystal structure described by Hf3NiSb7 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 9-coordinate geometry to one Sb(1), one Sb(5), one Sb(6), two equivalent Sb(3), two equivalent Sb(4), and two equivalent Sb(7) atoms. In the second Hf site, Hf(2) is bonded in a 8-coordinate geometry to one Ni(1), one Sb(5), two equivalent Sb(4), two equivalent Sb(6), and three equivalent Sb(2) atoms. In the third Hf site, Hf(3) is bonded in a 8-coordinate geometry to one Ni(1), one Sb(6), two equivalent Sb(1), two equivalent Sb(5), and three equivalent Sb(3) atoms. Ni(1) is bonded in a 8-coordinate geometry to one Hf(2), one Hf(3), one Sb(4), one Sb(7), two equivalent Sb(1), and two equivalent Sb(2) atoms. There are seven inequivalent Sb sites. In the first Sb site, Sb(5) is bonded in a 4-coordinate geometry to one Hf(1), one Hf(2), and two equivalent Hf(3) atoms. In the second Sb site, Sb(6) is bonded in a 4-coordinate geometry to one Hf(1), one Hf(3), and two equivalent Hf(2) atoms. In the third Sb site, Sb(7) is bonded in a 3-coordinate geometry to two equivalent Hf(1) and one Ni(1) atom. In the fourth Sb site, Sb(1) is bonded in a 5-coordinate geometry to one Hf(1), two equivalent Hf(3), and two equivalent Ni(1) atoms. In the fifth Sb site, Sb(2) is bonded in a 5-coordinate geometry to three equivalent Hf(2) and two equivalent Ni(1) atoms. In the sixth Sb site, Sb(3) is bonded in a 5-coordinate geometry to two equivalent Hf(1) and three equivalent Hf(3) atoms. In the seventh Sb site, Sb(4) is bonded in a 5-coordinate geometry to two equivalent Hf(1), two equivalent Hf(2), and one Ni(1) atom. is represented by the CIF card [CIF]
data_Hf3NiSb7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.952
_cell_length_b   14.545
_cell_length_c   17.502
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1006.106
_cell_formula_units_Z   4
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  0.250  0.310  0.847  1.0
  Hf  Hf1  1  0.250  0.190  0.347  1.0
  Hf  Hf2  1  0.750  0.690  0.153  1.0
  Hf  Hf3  1  0.750  0.810  0.653  1.0
  Hf  Hf4  1  0.250  0.028  0.871  1.0
  Hf  Hf5  1  0.250  0.472  0.371  1.0
  Hf  Hf6  1  0.750  0.972  0.129  1.0
  Hf  Hf7  1  0.750  0.528  0.629  1.0
  Hf  Hf8  1  0.250  0.590  0.893  1.0
  Hf  Hf9  1  0.250  0.910  0.393  1.0
  Hf  Hf10  1  0.750  0.410  0.107  1.0
  Hf  Hf11  1  0.750  0.090  0.607  1.0
  Ni  Ni12  1  0.250  0.811  0.937  1.0
  Ni  Ni13  1  0.250  0.689  0.437  1.0
  Ni  Ni14  1  0.750  0.189  0.063  1.0
  Ni  Ni15  1  0.750  0.311  0.563  1.0
  Sb  Sb16  1  0.250  0.202  0.522  1.0
  Sb  Sb17  1  0.250  0.298  0.022  1.0
  Sb  Sb18  1  0.750  0.798  0.478  1.0
  Sb  Sb19  1  0.750  0.702  0.978  1.0
  Sb  Sb20  1  0.250  0.424  0.538  1.0
  Sb  Sb21  1  0.250  0.076  0.038  1.0
  Sb  Sb22  1  0.750  0.576  0.462  1.0
  Sb  Sb23  1  0.750  0.924  0.962  1.0
  Sb  Sb24  1  0.250  0.940  0.571  1.0
  Sb  Sb25  1  0.250  0.560  0.071  1.0
  Sb  Sb26  1  0.750  0.060  0.429  1.0
  Sb  Sb27  1  0.750  0.440  0.929  1.0
  Sb  Sb28  1  0.250  0.675  0.593  1.0
  Sb  Sb29  1  0.250  0.825  0.093  1.0
  Sb  Sb30  1  0.750  0.325  0.407  1.0
  Sb  Sb31  1  0.750  0.175  0.907  1.0
  Sb  Sb32  1  0.250  0.146  0.728  1.0
  Sb  Sb33  1  0.250  0.354  0.228  1.0
  Sb  Sb34  1  0.750  0.854  0.272  1.0
  Sb  Sb35  1  0.750  0.646  0.772  1.0
  Sb  Sb36  1  0.250  0.479  0.749  1.0
  Sb  Sb37  1  0.250  0.021  0.249  1.0
  Sb  Sb38  1  0.750  0.521  0.251  1.0
  Sb  Sb39  1  0.750  0.979  0.751  1.0
  Sb  Sb40  1  0.250  0.816  0.790  1.0
  Sb  Sb41  1  0.250  0.684  0.290  1.0
  Sb  Sb42  1  0.750  0.184  0.210  1.0
  Sb  Sb43  1  0.750  0.316  0.710  1.0
[/CIF]
.
The crystal structure described by Hf3NiSb7 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 9-coordinate geometry to one Sb(1), one Sb(5), one Sb(6), two equivalent Sb(3), two equivalent Sb(4), and two equivalent Sb(7) atoms. In the second Hf site, Hf(2) is bonded in a 8-coordinate geometry to one Ni(1), one Sb(5), two equivalent Sb(4), two equivalent Sb(6), and three equivalent Sb(2) atoms. In the third Hf site, Hf(3) is bonded in a 8-coordinate geometry to one Ni(1), one Sb(6), two equivalent Sb(1), two equivalent Sb(5), and three equivalent Sb(3) atoms. Ni(1) is bonded in a 8-coordinate geometry to one Hf(2), one Hf(3), one Sb(4), one Sb(7), two equivalent Sb(1), and two equivalent Sb(2) atoms. There are seven inequivalent Sb sites. In the first Sb site, Sb(5) is bonded in a 4-coordinate geometry to one Hf(1), one Hf(2), and two equivalent Hf(3) atoms. In the second Sb site, Sb(6) is bonded in a 4-coordinate geometry to one Hf(1), one Hf(3), and two equivalent Hf(2) atoms. In the third Sb site, Sb(7) is bonded in a 3-coordinate geometry to two equivalent Hf(1) and one Ni(1) atom. In the fourth Sb site, Sb(1) is bonded in a 5-coordinate geometry to one Hf(1), two equivalent Hf(3), and two equivalent Ni(1) atoms. In the fifth Sb site, Sb(2) is bonded in a 5-coordinate geometry to three equivalent Hf(2) and two equivalent Ni(1) atoms. In the sixth Sb site, Sb(3) is bonded in a 5-coordinate geometry to two equivalent Hf(1) and three equivalent Hf(3) atoms. In the seventh Sb site, Sb(4) is bonded in a 5-coordinate geometry to two equivalent Hf(1), two equivalent Hf(2), and one Ni(1) atom. is represented by the CIF card [CIF]
data_Hf3NiSb7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.952
_cell_length_b   14.545
_cell_length_c   17.502
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1006.106
_cell_formula_units_Z   4
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  0.250  0.310  0.847  1.0
  Hf  Hf1  1  0.250  0.190  0.347  1.0
  Hf  Hf2  1  0.750  0.690  0.153  1.0
  Hf  Hf3  1  0.750  0.810  0.653  1.0
  Hf  Hf4  1  0.250  0.028  0.871  1.0
  Hf  Hf5  1  0.250  0.472  0.371  1.0
  Hf  Hf6  1  0.750  0.972  0.129  1.0
  Hf  Hf7  1  0.750  0.528  0.629  1.0
  Hf  Hf8  1  0.250  0.590  0.893  1.0
  Hf  Hf9  1  0.250  0.910  0.393  1.0
  Hf  Hf10  1  0.750  0.410  0.107  1.0
  Hf  Hf11  1  0.750  0.090  0.607  1.0
  Ni  Ni12  1  0.250  0.811  0.937  1.0
  Ni  Ni13  1  0.250  0.689  0.437  1.0
  Ni  Ni14  1  0.750  0.189  0.063  1.0
  Ni  Ni15  1  0.750  0.311  0.563  1.0
  Sb  Sb16  1  0.250  0.202  0.522  1.0
  Sb  Sb17  1  0.250  0.298  0.022  1.0
  Sb  Sb18  1  0.750  0.798  0.478  1.0
  Sb  Sb19  1  0.750  0.702  0.978  1.0
  Sb  Sb20  1  0.250  0.424  0.538  1.0
  Sb  Sb21  1  0.250  0.076  0.038  1.0
  Sb  Sb22  1  0.750  0.576  0.462  1.0
  Sb  Sb23  1  0.750  0.924  0.962  1.0
  Sb  Sb24  1  0.250  0.940  0.571  1.0
  Sb  Sb25  1  0.250  0.560  0.071  1.0
  Sb  Sb26  1  0.750  0.060  0.429  1.0
  Sb  Sb27  1  0.750  0.440  0.929  1.0
  Sb  Sb28  1  0.250  0.675  0.593  1.0
  Sb  Sb29  1  0.250  0.825  0.093  1.0
  Sb  Sb30  1  0.750  0.325  0.407  1.0
  Sb  Sb31  1  0.750  0.175  0.907  1.0
  Sb  Sb32  1  0.250  0.146  0.728  1.0
  Sb  Sb33  1  0.250  0.354  0.228  1.0
  Sb  Sb34  1  0.750  0.854  0.272  1.0
  Sb  Sb35  1  0.750  0.646  0.772  1.0
  Sb  Sb36  1  0.250  0.479  0.749  1.0
  Sb  Sb37  1  0.250  0.021  0.249  1.0
  Sb  Sb38  1  0.750  0.521  0.251  1.0
  Sb  Sb39  1  0.750  0.979  0.751  1.0
  Sb  Sb40  1  0.250  0.816  0.790  1.0
  Sb  Sb41  1  0.250  0.684  0.290  1.0
  Sb  Sb42  1  0.750  0.184  0.210  1.0
  Sb  Sb43  1  0.750  0.316  0.710  1.0
[/CIF]
.