The structure described by Nb3Si crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 3-coordinate geometry to three equivalent Nb(2) and three equivalent Si(1) atoms. In the second Nb site, Nb(2) is bonded to six equivalent Nb(1) and six equivalent Nb(2) atoms to form a mixture of corner, edge, and face-sharing NbNb12 cuboctahedra. Si(1) is bonded in a 6-coordinate geometry to six equivalent Nb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb3Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.167
_cell_length_b   3.167
_cell_length_c   8.137
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.023
_symmetry_Int_Tables_number   1
_cell_volume   71.369
_cell_formula_units_Z   1
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  0.999  0.001  0.484  1.0
  Nb  Nb1  1  0.999  0.001  0.016  1.0
  Nb  Nb2  1  0.666  0.334  0.750  1.0
  Si  Si3  1  0.336  0.664  0.250  1.0
[/CIF]
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The structure described by Nb3Si crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 3-coordinate geometry to three equivalent Nb(2) and three equivalent Si(1) atoms. In the second Nb site, Nb(2) is bonded to six equivalent Nb(1) and six equivalent Nb(2) atoms to form a mixture of corner, edge, and face-sharing NbNb12 cuboctahedra. Si(1) is bonded in a 6-coordinate geometry to six equivalent Nb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb3Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.167
_cell_length_b   3.167
_cell_length_c   8.137
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.023
_symmetry_Int_Tables_number   1
_cell_volume   71.369
_cell_formula_units_Z   1
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  0.999  0.001  0.484  1.0
  Nb  Nb1  1  0.999  0.001  0.016  1.0
  Nb  Nb2  1  0.666  0.334  0.750  1.0
  Si  Si3  1  0.336  0.664  0.250  1.0
[/CIF]
.