The material structure described by Hf3Ni7 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 12-coordinate geometry to one Ni(1), one Ni(2), one Ni(4), one Ni(7), two equivalent Ni(3), two equivalent Ni(5), two equivalent Ni(6), and two equivalent Ni(8) atoms. In the second Hf site, Hf(2) is bonded in a 11-coordinate geometry to one Ni(1), one Ni(2), one Ni(3), one Ni(4), one Ni(5), two equivalent Ni(6), two equivalent Ni(7), and two equivalent Ni(8) atoms. In the third Hf site, Hf(3) is bonded in a 10-coordinate geometry to one Ni(1), one Ni(2), one Ni(3), one Ni(5), one Ni(6), one Ni(8), two equivalent Ni(4), and two equivalent Ni(7) atoms. There are eight inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent Hf(1), two equivalent Hf(2), two equivalent Hf(3), two equivalent Ni(4), two equivalent Ni(5), and two equivalent Ni(7) atoms to form face-sharing NiHf6Ni6 cuboctahedra. In the second Ni site, Ni(2) is bonded to two equivalent Hf(1), two equivalent Hf(2), two equivalent Hf(3), two equivalent Ni(3), two equivalent Ni(6), and two equivalent Ni(8) atoms to form face-sharing NiHf6Ni6 cuboctahedra. In the third Ni site, Ni(3) is bonded in a 4-coordinate geometry to one Hf(2), one Hf(3), two equivalent Hf(1), one Ni(2), one Ni(7), and two equivalent Ni(8) atoms. In the fourth Ni site, Ni(4) is bonded in a 4-coordinate geometry to one Hf(1), one Hf(2), two equivalent Hf(3), one Ni(1), one Ni(8), and two equivalent Ni(7) atoms. In the fifth Ni site, Ni(5) is bonded in a 3-coordinate geometry to one Hf(2), one Hf(3), two equivalent Hf(1), one Ni(1), one Ni(7), and one Ni(8) atom. In the sixth Ni site, Ni(6) is bonded in a 5-coordinate geometry to one Hf(3), two equivalent Hf(1), two equivalent Hf(2), one Ni(2), one Ni(7), and two equivalent Ni(8) atoms. In the seventh Ni site, Ni(7) is bonded in a 12-coordinate geometry to one Hf(1), two equivalent Hf(2), two equivalent Hf(3), one Ni(1), one Ni(3), one Ni(5), one Ni(6), one Ni(7), and two equivalent Ni(4) atoms. In the eighth Ni site, Ni(8) is bonded in a 12-coordinate geometry to one Hf(3), two equivalent Hf(1), two equivalent Hf(2), one Ni(2), one Ni(4), one Ni(5), two equivalent Ni(3), and two equivalent Ni(6) atoms. is represented by the CIF card [CIF]
data_Hf3Ni7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.504
_cell_length_b   6.573
_cell_length_c   7.614
_cell_angle_alpha   102.781
_cell_angle_beta   104.579
_cell_angle_gamma   112.620
_symmetry_Int_Tables_number   1
_cell_volume   271.730
_cell_formula_units_Z   2
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  0.500  0.727  0.869  1.0
  Hf  Hf1  1  0.500  0.273  0.131  1.0
  Hf  Hf2  1  0.901  0.545  0.778  1.0
  Hf  Hf3  1  0.099  0.455  0.222  1.0
  Hf  Hf4  1  0.842  0.974  0.625  1.0
  Hf  Hf5  1  0.158  0.026  0.375  1.0
  Ni  Ni6  1  0.500  0.500  0.500  1.0
  Ni  Ni7  1  0.000  0.000  0.000  1.0
  Ni  Ni8  1  0.771  0.063  0.215  1.0
  Ni  Ni9  1  0.229  0.937  0.785  1.0
  Ni  Ni10  1  0.617  0.176  0.457  1.0
  Ni  Ni11  1  0.383  0.824  0.543  1.0
  Ni  Ni12  1  0.445  0.300  0.735  1.0
  Ni  Ni13  1  0.555  0.700  0.265  1.0
  Ni  Ni14  1  0.181  0.359  0.906  1.0
  Ni  Ni15  1  0.819  0.641  0.094  1.0
  Ni  Ni16  1  0.106  0.384  0.559  1.0
  Ni  Ni17  1  0.894  0.616  0.441  1.0
  Ni  Ni18  1  0.278  0.827  0.107  1.0
  Ni  Ni19  1  0.722  0.173  0.893  1.0
[/CIF]
.
The material structure described by Hf3Ni7 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 12-coordinate geometry to one Ni(1), one Ni(2), one Ni(4), one Ni(7), two equivalent Ni(3), two equivalent Ni(5), two equivalent Ni(6), and two equivalent Ni(8) atoms. In the second Hf site, Hf(2) is bonded in a 11-coordinate geometry to one Ni(1), one Ni(2), one Ni(3), one Ni(4), one Ni(5), two equivalent Ni(6), two equivalent Ni(7), and two equivalent Ni(8) atoms. In the third Hf site, Hf(3) is bonded in a 10-coordinate geometry to one Ni(1), one Ni(2), one Ni(3), one Ni(5), one Ni(6), one Ni(8), two equivalent Ni(4), and two equivalent Ni(7) atoms. There are eight inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent Hf(1), two equivalent Hf(2), two equivalent Hf(3), two equivalent Ni(4), two equivalent Ni(5), and two equivalent Ni(7) atoms to form face-sharing NiHf6Ni6 cuboctahedra. In the second Ni site, Ni(2) is bonded to two equivalent Hf(1), two equivalent Hf(2), two equivalent Hf(3), two equivalent Ni(3), two equivalent Ni(6), and two equivalent Ni(8) atoms to form face-sharing NiHf6Ni6 cuboctahedra. In the third Ni site, Ni(3) is bonded in a 4-coordinate geometry to one Hf(2), one Hf(3), two equivalent Hf(1), one Ni(2), one Ni(7), and two equivalent Ni(8) atoms. In the fourth Ni site, Ni(4) is bonded in a 4-coordinate geometry to one Hf(1), one Hf(2), two equivalent Hf(3), one Ni(1), one Ni(8), and two equivalent Ni(7) atoms. In the fifth Ni site, Ni(5) is bonded in a 3-coordinate geometry to one Hf(2), one Hf(3), two equivalent Hf(1), one Ni(1), one Ni(7), and one Ni(8) atom. In the sixth Ni site, Ni(6) is bonded in a 5-coordinate geometry to one Hf(3), two equivalent Hf(1), two equivalent Hf(2), one Ni(2), one Ni(7), and two equivalent Ni(8) atoms. In the seventh Ni site, Ni(7) is bonded in a 12-coordinate geometry to one Hf(1), two equivalent Hf(2), two equivalent Hf(3), one Ni(1), one Ni(3), one Ni(5), one Ni(6), one Ni(7), and two equivalent Ni(4) atoms. In the eighth Ni site, Ni(8) is bonded in a 12-coordinate geometry to one Hf(3), two equivalent Hf(1), two equivalent Hf(2), one Ni(2), one Ni(4), one Ni(5), two equivalent Ni(3), and two equivalent Ni(6) atoms. is represented by the CIF card [CIF]
data_Hf3Ni7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.504
_cell_length_b   6.573
_cell_length_c   7.614
_cell_angle_alpha   102.781
_cell_angle_beta   104.579
_cell_angle_gamma   112.620
_symmetry_Int_Tables_number   1
_cell_volume   271.730
_cell_formula_units_Z   2
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  0.500  0.727  0.869  1.0
  Hf  Hf1  1  0.500  0.273  0.131  1.0
  Hf  Hf2  1  0.901  0.545  0.778  1.0
  Hf  Hf3  1  0.099  0.455  0.222  1.0
  Hf  Hf4  1  0.842  0.974  0.625  1.0
  Hf  Hf5  1  0.158  0.026  0.375  1.0
  Ni  Ni6  1  0.500  0.500  0.500  1.0
  Ni  Ni7  1  0.000  0.000  0.000  1.0
  Ni  Ni8  1  0.771  0.063  0.215  1.0
  Ni  Ni9  1  0.229  0.937  0.785  1.0
  Ni  Ni10  1  0.617  0.176  0.457  1.0
  Ni  Ni11  1  0.383  0.824  0.543  1.0
  Ni  Ni12  1  0.445  0.300  0.735  1.0
  Ni  Ni13  1  0.555  0.700  0.265  1.0
  Ni  Ni14  1  0.181  0.359  0.906  1.0
  Ni  Ni15  1  0.819  0.641  0.094  1.0
  Ni  Ni16  1  0.106  0.384  0.559  1.0
  Ni  Ni17  1  0.894  0.616  0.441  1.0
  Ni  Ni18  1  0.278  0.827  0.107  1.0
  Ni  Ni19  1  0.722  0.173  0.893  1.0
[/CIF]
.