The crystal structure described by Nb3Co2Si crystallizes in the cubic Fd-3m space group. Nb(1) is bonded in a 6-coordinate geometry to four equivalent Co(1) and two equivalent Si(1) atoms. Co(1) is bonded in a 12-coordinate geometry to six equivalent Nb(1), three equivalent Co(1), and three equivalent Si(1) atoms. Si(1) is bonded to six equivalent Nb(1) and six equivalent Co(1) atoms to form face-sharing SiNb6Co6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb3Co2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.913
_cell_length_b   7.913
_cell_length_c   7.913
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   350.362
_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  0.951  0.951  0.549  1.0
  Nb  Nb1  1  0.701  0.299  0.299  1.0
  Nb  Nb2  1  0.299  0.701  0.701  1.0
  Nb  Nb3  1  0.701  0.701  0.299  1.0
  Nb  Nb4  1  0.701  0.299  0.701  1.0
  Nb  Nb5  1  0.299  0.701  0.299  1.0
  Nb  Nb6  1  0.549  0.951  0.549  1.0
  Nb  Nb7  1  0.549  0.951  0.951  1.0
  Nb  Nb8  1  0.951  0.549  0.549  1.0
  Nb  Nb9  1  0.951  0.549  0.951  1.0
  Nb  Nb10  1  0.299  0.299  0.701  1.0
  Nb  Nb11  1  0.549  0.549  0.951  1.0
  Co  Co12  1  0.917  0.248  0.917  1.0
  Co  Co13  1  0.333  0.333  0.002  1.0
  Co  Co14  1  0.002  0.333  0.333  1.0
  Co  Co15  1  0.333  0.333  0.333  1.0
  Co  Co16  1  0.248  0.917  0.917  1.0
  Co  Co17  1  0.917  0.917  0.917  1.0
  Co  Co18  1  0.917  0.917  0.248  1.0
  Co  Co19  1  0.333  0.002  0.333  1.0
  Si  Si20  1  0.125  0.625  0.125  1.0
  Si  Si21  1  0.125  0.125  0.625  1.0
  Si  Si22  1  0.625  0.125  0.125  1.0
  Si  Si23  1  0.125  0.125  0.125  1.0
[/CIF]
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The crystal structure described by Nb3Co2Si crystallizes in the cubic Fd-3m space group. Nb(1) is bonded in a 6-coordinate geometry to four equivalent Co(1) and two equivalent Si(1) atoms. Co(1) is bonded in a 12-coordinate geometry to six equivalent Nb(1), three equivalent Co(1), and three equivalent Si(1) atoms. Si(1) is bonded to six equivalent Nb(1) and six equivalent Co(1) atoms to form face-sharing SiNb6Co6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb3Co2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.913
_cell_length_b   7.913
_cell_length_c   7.913
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   350.362
_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  0.951  0.951  0.549  1.0
  Nb  Nb1  1  0.701  0.299  0.299  1.0
  Nb  Nb2  1  0.299  0.701  0.701  1.0
  Nb  Nb3  1  0.701  0.701  0.299  1.0
  Nb  Nb4  1  0.701  0.299  0.701  1.0
  Nb  Nb5  1  0.299  0.701  0.299  1.0
  Nb  Nb6  1  0.549  0.951  0.549  1.0
  Nb  Nb7  1  0.549  0.951  0.951  1.0
  Nb  Nb8  1  0.951  0.549  0.549  1.0
  Nb  Nb9  1  0.951  0.549  0.951  1.0
  Nb  Nb10  1  0.299  0.299  0.701  1.0
  Nb  Nb11  1  0.549  0.549  0.951  1.0
  Co  Co12  1  0.917  0.248  0.917  1.0
  Co  Co13  1  0.333  0.333  0.002  1.0
  Co  Co14  1  0.002  0.333  0.333  1.0
  Co  Co15  1  0.333  0.333  0.333  1.0
  Co  Co16  1  0.248  0.917  0.917  1.0
  Co  Co17  1  0.917  0.917  0.917  1.0
  Co  Co18  1  0.917  0.917  0.248  1.0
  Co  Co19  1  0.333  0.002  0.333  1.0
  Si  Si20  1  0.125  0.625  0.125  1.0
  Si  Si21  1  0.125  0.125  0.625  1.0
  Si  Si22  1  0.625  0.125  0.125  1.0
  Si  Si23  1  0.125  0.125  0.125  1.0
[/CIF]
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