The material described by Nb3Ni2Si crystallizes in the cubic Fd-3m space group. Nb(1) is bonded in a 6-coordinate geometry to four equivalent Ni(1) and two equivalent Si(1) atoms. Ni(1) is bonded in a 12-coordinate geometry to six equivalent Nb(1), three equivalent Ni(1), and three equivalent Si(1) atoms. Si(1) is bonded to six equivalent Nb(1) and six equivalent Ni(1) atoms to form face-sharing SiNb6Ni6 cuboctahedra. is represented by the CIF file [CIF]
data_Nb3SiNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.931
_cell_length_b   7.931
_cell_length_c   7.931
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   352.687
_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  0.703  0.297  0.703  1.0
  Nb  Nb1  1  0.953  0.547  0.547  1.0
  Nb  Nb2  1  0.547  0.953  0.953  1.0
  Nb  Nb3  1  0.953  0.547  0.953  1.0
  Nb  Nb4  1  0.547  0.547  0.953  1.0
  Nb  Nb5  1  0.953  0.953  0.547  1.0
  Nb  Nb6  1  0.703  0.703  0.297  1.0
  Nb  Nb7  1  0.297  0.703  0.703  1.0
  Nb  Nb8  1  0.703  0.297  0.297  1.0
  Nb  Nb9  1  0.297  0.297  0.703  1.0
  Nb  Nb10  1  0.547  0.953  0.547  1.0
  Nb  Nb11  1  0.297  0.703  0.297  1.0
  Si  Si12  1  0.125  0.125  0.125  1.0
  Si  Si13  1  0.625  0.125  0.125  1.0
  Si  Si14  1  0.125  0.625  0.125  1.0
  Si  Si15  1  0.125  0.125  0.625  1.0
  Ni  Ni16  1  0.332  0.332  0.332  1.0
  Ni  Ni17  1  0.247  0.918  0.918  1.0
  Ni  Ni18  1  0.918  0.247  0.918  1.0
  Ni  Ni19  1  0.918  0.918  0.247  1.0
  Ni  Ni20  1  0.332  0.003  0.332  1.0
  Ni  Ni21  1  0.332  0.332  0.003  1.0
  Ni  Ni22  1  0.003  0.332  0.332  1.0
  Ni  Ni23  1  0.918  0.918  0.918  1.0
[/CIF]
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The material described by Nb3Ni2Si crystallizes in the cubic Fd-3m space group. Nb(1) is bonded in a 6-coordinate geometry to four equivalent Ni(1) and two equivalent Si(1) atoms. Ni(1) is bonded in a 12-coordinate geometry to six equivalent Nb(1), three equivalent Ni(1), and three equivalent Si(1) atoms. Si(1) is bonded to six equivalent Nb(1) and six equivalent Ni(1) atoms to form face-sharing SiNb6Ni6 cuboctahedra. is represented by the CIF file [CIF]
data_Nb3SiNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.931
_cell_length_b   7.931
_cell_length_c   7.931
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   352.687
_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  0.703  0.297  0.703  1.0
  Nb  Nb1  1  0.953  0.547  0.547  1.0
  Nb  Nb2  1  0.547  0.953  0.953  1.0
  Nb  Nb3  1  0.953  0.547  0.953  1.0
  Nb  Nb4  1  0.547  0.547  0.953  1.0
  Nb  Nb5  1  0.953  0.953  0.547  1.0
  Nb  Nb6  1  0.703  0.703  0.297  1.0
  Nb  Nb7  1  0.297  0.703  0.703  1.0
  Nb  Nb8  1  0.703  0.297  0.297  1.0
  Nb  Nb9  1  0.297  0.297  0.703  1.0
  Nb  Nb10  1  0.547  0.953  0.547  1.0
  Nb  Nb11  1  0.297  0.703  0.297  1.0
  Si  Si12  1  0.125  0.125  0.125  1.0
  Si  Si13  1  0.625  0.125  0.125  1.0
  Si  Si14  1  0.125  0.625  0.125  1.0
  Si  Si15  1  0.125  0.125  0.625  1.0
  Ni  Ni16  1  0.332  0.332  0.332  1.0
  Ni  Ni17  1  0.247  0.918  0.918  1.0
  Ni  Ni18  1  0.918  0.247  0.918  1.0
  Ni  Ni19  1  0.918  0.918  0.247  1.0
  Ni  Ni20  1  0.332  0.003  0.332  1.0
  Ni  Ni21  1  0.332  0.332  0.003  1.0
  Ni  Ni22  1  0.003  0.332  0.332  1.0
  Ni  Ni23  1  0.918  0.918  0.918  1.0
[/CIF]
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