The structure described by Nb5Ni crystallizes in the cubic Fd-3m space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a distorted trigonal non-coplanar geometry to six equivalent Nb(2) and three equivalent Ni(1) atoms. In the second Nb site, Nb(2) is bonded in a 14-coordinate geometry to four equivalent Nb(1), eight equivalent Nb(2), and two equivalent Ni(1) atoms. Ni(1) is bonded to six equivalent Nb(1) and six equivalent Nb(2) atoms to form distorted face-sharing NiNb12 cuboctahedra. is represented by the CIF card [CIF]
data_Nb5Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.436
_cell_length_b   8.436
_cell_length_c   8.436
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   424.491
_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  0.339  0.982  0.339  1.0
  Nb  Nb1  1  0.316  0.316  0.684  1.0
  Nb  Nb2  1  0.339  0.339  0.982  1.0
  Nb  Nb3  1  0.934  0.934  0.566  1.0
  Nb  Nb4  1  0.911  0.268  0.911  1.0
  Nb  Nb5  1  0.566  0.934  0.566  1.0
  Nb  Nb6  1  0.934  0.566  0.934  1.0
  Nb  Nb7  1  0.911  0.911  0.268  1.0
  Nb  Nb8  1  0.982  0.339  0.339  1.0
  Nb  Nb9  1  0.911  0.911  0.911  1.0
  Nb  Nb10  1  0.934  0.566  0.566  1.0
  Nb  Nb11  1  0.566  0.934  0.934  1.0
  Nb  Nb12  1  0.684  0.316  0.316  1.0
  Nb  Nb13  1  0.316  0.684  0.316  1.0
  Nb  Nb14  1  0.566  0.566  0.934  1.0
  Nb  Nb15  1  0.268  0.911  0.911  1.0
  Nb  Nb16  1  0.339  0.339  0.339  1.0
  Nb  Nb17  1  0.684  0.316  0.684  1.0
  Nb  Nb18  1  0.684  0.684  0.316  1.0
  Nb  Nb19  1  0.316  0.684  0.684  1.0
  Ni  Ni20  1  0.125  0.125  0.625  1.0
  Ni  Ni21  1  0.125  0.625  0.125  1.0
  Ni  Ni22  1  0.125  0.125  0.125  1.0
  Ni  Ni23  1  0.625  0.125  0.125  1.0
[/CIF]
.
The structure described by Nb5Ni crystallizes in the cubic Fd-3m space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a distorted trigonal non-coplanar geometry to six equivalent Nb(2) and three equivalent Ni(1) atoms. In the second Nb site, Nb(2) is bonded in a 14-coordinate geometry to four equivalent Nb(1), eight equivalent Nb(2), and two equivalent Ni(1) atoms. Ni(1) is bonded to six equivalent Nb(1) and six equivalent Nb(2) atoms to form distorted face-sharing NiNb12 cuboctahedra. is represented by the CIF card [CIF]
data_Nb5Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.436
_cell_length_b   8.436
_cell_length_c   8.436
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   424.491
_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  0.339  0.982  0.339  1.0
  Nb  Nb1  1  0.316  0.316  0.684  1.0
  Nb  Nb2  1  0.339  0.339  0.982  1.0
  Nb  Nb3  1  0.934  0.934  0.566  1.0
  Nb  Nb4  1  0.911  0.268  0.911  1.0
  Nb  Nb5  1  0.566  0.934  0.566  1.0
  Nb  Nb6  1  0.934  0.566  0.934  1.0
  Nb  Nb7  1  0.911  0.911  0.268  1.0
  Nb  Nb8  1  0.982  0.339  0.339  1.0
  Nb  Nb9  1  0.911  0.911  0.911  1.0
  Nb  Nb10  1  0.934  0.566  0.566  1.0
  Nb  Nb11  1  0.566  0.934  0.934  1.0
  Nb  Nb12  1  0.684  0.316  0.316  1.0
  Nb  Nb13  1  0.316  0.684  0.316  1.0
  Nb  Nb14  1  0.566  0.566  0.934  1.0
  Nb  Nb15  1  0.268  0.911  0.911  1.0
  Nb  Nb16  1  0.339  0.339  0.339  1.0
  Nb  Nb17  1  0.684  0.316  0.684  1.0
  Nb  Nb18  1  0.684  0.684  0.316  1.0
  Nb  Nb19  1  0.316  0.684  0.684  1.0
  Ni  Ni20  1  0.125  0.125  0.625  1.0
  Ni  Ni21  1  0.125  0.625  0.125  1.0
  Ni  Ni22  1  0.125  0.125  0.125  1.0
  Ni  Ni23  1  0.625  0.125  0.125  1.0
[/CIF]
.