The structure described by Nb5Si3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 6-coordinate geometry to two equivalent Si(2) and four equivalent Si(1) atoms. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to two equivalent Nb(2) and four equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to two equivalent Nb(2) and eight equivalent Nb(1) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to eight equivalent Nb(1) and two equivalent Si(2) atoms. is represented by the CIF card [CIF]
data_Nb5Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.091
_cell_length_b   7.564
_cell_length_c   7.564
_cell_angle_alpha   83.496
_cell_angle_beta   70.332
_cell_angle_gamma   70.332
_symmetry_Int_Tables_number   1
_cell_volume   258.277
_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  0.576  0.705  0.143  1.0
  Nb  Nb1  1  0.719  0.857  0.705  1.0
  Nb  Nb2  1  0.424  0.295  0.857  1.0
  Nb  Nb3  1  0.250  0.500  0.500  1.0
  Nb  Nb4  1  0.924  0.857  0.295  1.0
  Nb  Nb5  1  0.781  0.295  0.143  1.0
  Nb  Nb6  1  0.281  0.143  0.295  1.0
  Nb  Nb7  1  0.076  0.143  0.705  1.0
  Nb  Nb8  1  0.219  0.705  0.857  1.0
  Nb  Nb9  1  0.750  0.500  0.500  1.0
  Si  Si10  1  0.165  0.500  0.171  1.0
  Si  Si11  1  0.250  0.000  1.000  1.0
  Si  Si12  1  0.750  1.000  0.000  1.0
  Si  Si13  1  0.665  0.171  0.500  1.0
  Si  Si14  1  0.335  0.829  0.500  1.0
  Si  Si15  1  0.835  0.500  0.829  1.0
[/CIF]
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The structure described by Nb5Si3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 6-coordinate geometry to two equivalent Si(2) and four equivalent Si(1) atoms. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to two equivalent Nb(2) and four equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to two equivalent Nb(2) and eight equivalent Nb(1) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to eight equivalent Nb(1) and two equivalent Si(2) atoms. is represented by the CIF card [CIF]
data_Nb5Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.091
_cell_length_b   7.564
_cell_length_c   7.564
_cell_angle_alpha   83.496
_cell_angle_beta   70.332
_cell_angle_gamma   70.332
_symmetry_Int_Tables_number   1
_cell_volume   258.277
_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  0.576  0.705  0.143  1.0
  Nb  Nb1  1  0.719  0.857  0.705  1.0
  Nb  Nb2  1  0.424  0.295  0.857  1.0
  Nb  Nb3  1  0.250  0.500  0.500  1.0
  Nb  Nb4  1  0.924  0.857  0.295  1.0
  Nb  Nb5  1  0.781  0.295  0.143  1.0
  Nb  Nb6  1  0.281  0.143  0.295  1.0
  Nb  Nb7  1  0.076  0.143  0.705  1.0
  Nb  Nb8  1  0.219  0.705  0.857  1.0
  Nb  Nb9  1  0.750  0.500  0.500  1.0
  Si  Si10  1  0.165  0.500  0.171  1.0
  Si  Si11  1  0.250  0.000  1.000  1.0
  Si  Si12  1  0.750  1.000  0.000  1.0
  Si  Si13  1  0.665  0.171  0.500  1.0
  Si  Si14  1  0.335  0.829  0.500  1.0
  Si  Si15  1  0.835  0.500  0.829  1.0
[/CIF]
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