The material described by Nb3Si2 crystallizes in the tetragonal P4/mbm space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a square co-planar geometry to four equivalent Si(1) atoms. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to six equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to two equivalent Nb(1), six equivalent Nb(2), and one Si(1) atom. is represented by the CIF card [CIF]
data_Nb3Si2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.746
_cell_length_b   6.746
_cell_length_c   3.521
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   160.236
_cell_formula_units_Z   2
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  0.500  0.500  0.000  1.0
  Nb  Nb1  1  0.000  0.000  0.000  1.0
  Nb  Nb2  1  0.671  0.171  0.500  1.0
  Nb  Nb3  1  0.329  0.829  0.500  1.0
  Nb  Nb4  1  0.171  0.329  0.500  1.0
  Nb  Nb5  1  0.829  0.671  0.500  1.0
  Si  Si6  1  0.127  0.627  0.000  1.0
  Si  Si7  1  0.873  0.373  0.000  1.0
  Si  Si8  1  0.627  0.873  0.000  1.0
  Si  Si9  1  0.373  0.127  0.000  1.0
[/CIF]
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The material described by Nb3Si2 crystallizes in the tetragonal P4/mbm space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a square co-planar geometry to four equivalent Si(1) atoms. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to six equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to two equivalent Nb(1), six equivalent Nb(2), and one Si(1) atom. is represented by the CIF card [CIF]
data_Nb3Si2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.746
_cell_length_b   6.746
_cell_length_c   3.521
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   160.236
_cell_formula_units_Z   2
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  0.500  0.500  0.000  1.0
  Nb  Nb1  1  0.000  0.000  0.000  1.0
  Nb  Nb2  1  0.671  0.171  0.500  1.0
  Nb  Nb3  1  0.329  0.829  0.500  1.0
  Nb  Nb4  1  0.171  0.329  0.500  1.0
  Nb  Nb5  1  0.829  0.671  0.500  1.0
  Si  Si6  1  0.127  0.627  0.000  1.0
  Si  Si7  1  0.873  0.373  0.000  1.0
  Si  Si8  1  0.627  0.873  0.000  1.0
  Si  Si9  1  0.373  0.127  0.000  1.0
[/CIF]
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