The structure described by Ni2Nb is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. Nb(1) is bonded in a 16-coordinate geometry to four equivalent Nb(1), three equivalent Ni(1), and nine equivalent Ni(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to six equivalent Nb(1) and six equivalent Ni(2) atoms to form a mixture of corner, face, and edge-sharing NiNb6Ni6 cuboctahedra. In the second Ni site, Ni(2) is bonded to six equivalent Nb(1), two equivalent Ni(1), and four equivalent Ni(2) atoms to form a mixture of corner, face, and edge-sharing NiNb6Ni6 cuboctahedra. is represented by the CIF file [CIF]
data_NbNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.792
_cell_length_b   4.792
_cell_length_c   7.786
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.003
_symmetry_Int_Tables_number   1
_cell_volume   154.848
_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
  Nb  Nb0  1  0.667  0.333  0.555  1.0
  Nb  Nb1  1  0.333  0.667  0.445  1.0
  Nb  Nb2  1  0.333  0.667  0.055  1.0
  Nb  Nb3  1  0.667  0.333  0.945  1.0
  Ni  Ni4  1  0.000  0.000  0.500  1.0
  Ni  Ni5  1  0.000  0.000  0.000  1.0
  Ni  Ni6  1  0.169  0.338  0.750  1.0
  Ni  Ni7  1  0.169  0.831  0.750  1.0
  Ni  Ni8  1  0.662  0.831  0.750  1.0
  Ni  Ni9  1  0.831  0.662  0.250  1.0
  Ni  Ni10  1  0.831  0.169  0.250  1.0
  Ni  Ni11  1  0.338  0.169  0.250  1.0
[/CIF]
.
The structure described by Ni2Nb is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. Nb(1) is bonded in a 16-coordinate geometry to four equivalent Nb(1), three equivalent Ni(1), and nine equivalent Ni(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to six equivalent Nb(1) and six equivalent Ni(2) atoms to form a mixture of corner, face, and edge-sharing NiNb6Ni6 cuboctahedra. In the second Ni site, Ni(2) is bonded to six equivalent Nb(1), two equivalent Ni(1), and four equivalent Ni(2) atoms to form a mixture of corner, face, and edge-sharing NiNb6Ni6 cuboctahedra. is represented by the CIF file [CIF]
data_NbNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.792
_cell_length_b   4.792
_cell_length_c   7.786
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.003
_symmetry_Int_Tables_number   1
_cell_volume   154.848
_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
  Nb  Nb0  1  0.667  0.333  0.555  1.0
  Nb  Nb1  1  0.333  0.667  0.445  1.0
  Nb  Nb2  1  0.333  0.667  0.055  1.0
  Nb  Nb3  1  0.667  0.333  0.945  1.0
  Ni  Ni4  1  0.000  0.000  0.500  1.0
  Ni  Ni5  1  0.000  0.000  0.000  1.0
  Ni  Ni6  1  0.169  0.338  0.750  1.0
  Ni  Ni7  1  0.169  0.831  0.750  1.0
  Ni  Ni8  1  0.662  0.831  0.750  1.0
  Ni  Ni9  1  0.831  0.662  0.250  1.0
  Ni  Ni10  1  0.831  0.169  0.250  1.0
  Ni  Ni11  1  0.338  0.169  0.250  1.0
[/CIF]
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