The structure described by Ni2Nb is Hexagonal Laves-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are six inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 16-coordinate geometry to one Nb(1), three equivalent Nb(2), three equivalent Ni(1), three equivalent Ni(3), and six equivalent Ni(2) atoms. In the second Nb site, Nb(1) is bonded in a 16-coordinate geometry to one Nb(1), three equivalent Nb(2), three equivalent Ni(1), three equivalent Ni(3), and six equivalent Ni(2) atoms. In the third Nb site, Nb(1) is bonded in a 16-coordinate geometry to one Nb(1), three equivalent Nb(2), three equivalent Ni(1), three equivalent Ni(3), and six equivalent Ni(2) atoms. In the fourth Nb site, Nb(1) is bonded in a 16-coordinate geometry to one Nb(1), three equivalent Nb(2), three equivalent Ni(1), three equivalent Ni(3), and six equivalent Ni(2) atoms. In the fifth Nb site, Nb(2) is bonded in a 16-coordinate geometry to one Nb(2), three equivalent Nb(1), three equivalent Ni(1), three equivalent Ni(2), and six equivalent Ni(3) atoms. In the sixth Nb site, Nb(2) is bonded in a 16-coordinate geometry to one Nb(2), three equivalent Nb(1), three equivalent Ni(1), three equivalent Ni(2), and six equivalent Ni(3) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent Nb(1), three equivalent Nb(2), three equivalent Ni(2), and three equivalent Ni(3) atoms to form a mixture of corner, edge, and face-sharing NiNb6Ni6 cuboctahedra. In the second Ni site, Ni(2) is bonded to two Nb(2,2); four Nb(1,1); two equivalent Ni(1); and four equivalent Ni(2) atoms to form a mixture of corner, edge, and face-sharing NiNb6Ni6 cuboctahedra. In the third Ni site, Ni(3) is bonded to two Nb(1,1); four Nb(2,2); two equivalent Ni(1); and four equivalent Ni(3) atoms to form a mixture of corner, edge, and face-sharing NiNb6Ni6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.796
_cell_length_b   4.796
_cell_length_c   15.666
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   312.033
_cell_formula_units_Z   8
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  0.000  0.000  0.402  1.0
  Nb  Nb1  1  0.000  0.000  0.598  1.0
  Nb  Nb2  1  0.000  0.000  0.902  1.0
  Nb  Nb3  1  0.000  0.000  0.098  1.0
  Nb  Nb4  1  0.333  0.667  0.654  1.0
  Nb  Nb5  1  0.667  0.333  0.346  1.0
  Nb  Nb6  1  0.667  0.333  0.154  1.0
  Nb  Nb7  1  0.333  0.667  0.846  1.0
  Ni  Ni8  1  0.333  0.667  0.376  1.0
  Ni  Ni9  1  0.667  0.333  0.624  1.0
  Ni  Ni10  1  0.667  0.333  0.876  1.0
  Ni  Ni11  1  0.333  0.667  0.124  1.0
  Ni  Ni12  1  0.500  0.500  0.500  1.0
  Ni  Ni13  1  0.500  0.000  0.500  1.0
  Ni  Ni14  1  0.000  0.500  0.500  1.0
  Ni  Ni15  1  0.500  0.500  0.000  1.0
  Ni  Ni16  1  0.500  0.000  0.000  1.0
  Ni  Ni17  1  0.000  0.500  0.000  1.0
  Ni  Ni18  1  0.164  0.836  0.250  1.0
  Ni  Ni19  1  0.164  0.329  0.250  1.0
  Ni  Ni20  1  0.671  0.836  0.250  1.0
  Ni  Ni21  1  0.836  0.164  0.750  1.0
  Ni  Ni22  1  0.836  0.671  0.750  1.0
  Ni  Ni23  1  0.329  0.164  0.750  1.0
[/CIF]
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The structure described by Ni2Nb is Hexagonal Laves-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are six inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 16-coordinate geometry to one Nb(1), three equivalent Nb(2), three equivalent Ni(1), three equivalent Ni(3), and six equivalent Ni(2) atoms. In the second Nb site, Nb(1) is bonded in a 16-coordinate geometry to one Nb(1), three equivalent Nb(2), three equivalent Ni(1), three equivalent Ni(3), and six equivalent Ni(2) atoms. In the third Nb site, Nb(1) is bonded in a 16-coordinate geometry to one Nb(1), three equivalent Nb(2), three equivalent Ni(1), three equivalent Ni(3), and six equivalent Ni(2) atoms. In the fourth Nb site, Nb(1) is bonded in a 16-coordinate geometry to one Nb(1), three equivalent Nb(2), three equivalent Ni(1), three equivalent Ni(3), and six equivalent Ni(2) atoms. In the fifth Nb site, Nb(2) is bonded in a 16-coordinate geometry to one Nb(2), three equivalent Nb(1), three equivalent Ni(1), three equivalent Ni(2), and six equivalent Ni(3) atoms. In the sixth Nb site, Nb(2) is bonded in a 16-coordinate geometry to one Nb(2), three equivalent Nb(1), three equivalent Ni(1), three equivalent Ni(2), and six equivalent Ni(3) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent Nb(1), three equivalent Nb(2), three equivalent Ni(2), and three equivalent Ni(3) atoms to form a mixture of corner, edge, and face-sharing NiNb6Ni6 cuboctahedra. In the second Ni site, Ni(2) is bonded to two Nb(2,2); four Nb(1,1); two equivalent Ni(1); and four equivalent Ni(2) atoms to form a mixture of corner, edge, and face-sharing NiNb6Ni6 cuboctahedra. In the third Ni site, Ni(3) is bonded to two Nb(1,1); four Nb(2,2); two equivalent Ni(1); and four equivalent Ni(3) atoms to form a mixture of corner, edge, and face-sharing NiNb6Ni6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.796
_cell_length_b   4.796
_cell_length_c   15.666
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   312.033
_cell_formula_units_Z   8
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  0.000  0.000  0.402  1.0
  Nb  Nb1  1  0.000  0.000  0.598  1.0
  Nb  Nb2  1  0.000  0.000  0.902  1.0
  Nb  Nb3  1  0.000  0.000  0.098  1.0
  Nb  Nb4  1  0.333  0.667  0.654  1.0
  Nb  Nb5  1  0.667  0.333  0.346  1.0
  Nb  Nb6  1  0.667  0.333  0.154  1.0
  Nb  Nb7  1  0.333  0.667  0.846  1.0
  Ni  Ni8  1  0.333  0.667  0.376  1.0
  Ni  Ni9  1  0.667  0.333  0.624  1.0
  Ni  Ni10  1  0.667  0.333  0.876  1.0
  Ni  Ni11  1  0.333  0.667  0.124  1.0
  Ni  Ni12  1  0.500  0.500  0.500  1.0
  Ni  Ni13  1  0.500  0.000  0.500  1.0
  Ni  Ni14  1  0.000  0.500  0.500  1.0
  Ni  Ni15  1  0.500  0.500  0.000  1.0
  Ni  Ni16  1  0.500  0.000  0.000  1.0
  Ni  Ni17  1  0.000  0.500  0.000  1.0
  Ni  Ni18  1  0.164  0.836  0.250  1.0
  Ni  Ni19  1  0.164  0.329  0.250  1.0
  Ni  Ni20  1  0.671  0.836  0.250  1.0
  Ni  Ni21  1  0.836  0.164  0.750  1.0
  Ni  Ni22  1  0.836  0.671  0.750  1.0
  Ni  Ni23  1  0.329  0.164  0.750  1.0
[/CIF]
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