The structure described by Nb2V4Si5 crystallizes in the orthorhombic Ibam space group. Nb(1) is bonded in a 6-coordinate geometry to two equivalent Si(1) and four equivalent Si(2) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one Si(1), two equivalent Si(3), and four equivalent Si(2) atoms to form a mixture of distorted edge, corner, and face-sharing VSi7 pentagonal bipyramids. In the second V site, V(2) is bonded in a 7-coordinate geometry to one Si(2), two equivalent Si(3), and four equivalent Si(1) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to two equivalent Nb(1), one V(1), four equivalent V(2), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to four equivalent Nb(1), one V(2), and four equivalent V(1) atoms. In the third Si site, Si(3) is bonded in a 10-coordinate geometry to four equivalent V(1), four equivalent V(2), and two equivalent Si(3) atoms. is represented by the CIF file [CIF]
data_Nb2V4Si5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.391
_cell_length_b   9.391
_cell_length_c   9.391
_cell_angle_alpha   148.272
_cell_angle_beta   132.430
_cell_angle_gamma   58.315
_symmetry_Int_Tables_number   1
_cell_volume   318.896
_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  0.311  0.561  0.250  1.0
  Nb  Nb1  1  0.689  0.939  0.250  1.0
  Nb  Nb2  1  0.689  0.439  0.750  1.0
  Nb  Nb3  1  0.311  0.061  0.750  1.0
  V  V4  1  0.975  0.359  0.616  1.0
  V  V5  1  0.025  0.641  0.384  1.0
  V  V6  1  0.187  0.936  0.251  1.0
  V  V7  1  0.813  0.064  0.749  1.0
  V  V8  1  0.315  0.564  0.751  1.0
  V  V9  1  0.685  0.436  0.249  1.0
  V  V10  1  0.257  0.141  0.116  1.0
  V  V11  1  0.743  0.859  0.884  1.0
  Si  Si12  1  0.653  0.560  0.093  1.0
  Si  Si13  1  0.347  0.440  0.907  1.0
  Si  Si14  1  0.533  0.940  0.593  1.0
  Si  Si15  1  0.467  0.060  0.407  1.0
  Si  Si16  1  0.403  0.708  0.695  1.0
  Si  Si17  1  0.597  0.292  0.305  1.0
  Si  Si18  1  0.000  0.250  0.250  1.0
  Si  Si19  1  0.000  0.750  0.750  1.0
  Si  Si20  1  0.013  0.208  0.805  1.0
  Si  Si21  1  0.987  0.792  0.195  1.0
[/CIF]
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The structure described by Nb2V4Si5 crystallizes in the orthorhombic Ibam space group. Nb(1) is bonded in a 6-coordinate geometry to two equivalent Si(1) and four equivalent Si(2) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one Si(1), two equivalent Si(3), and four equivalent Si(2) atoms to form a mixture of distorted edge, corner, and face-sharing VSi7 pentagonal bipyramids. In the second V site, V(2) is bonded in a 7-coordinate geometry to one Si(2), two equivalent Si(3), and four equivalent Si(1) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to two equivalent Nb(1), one V(1), four equivalent V(2), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to four equivalent Nb(1), one V(2), and four equivalent V(1) atoms. In the third Si site, Si(3) is bonded in a 10-coordinate geometry to four equivalent V(1), four equivalent V(2), and two equivalent Si(3) atoms. is represented by the CIF file [CIF]
data_Nb2V4Si5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.391
_cell_length_b   9.391
_cell_length_c   9.391
_cell_angle_alpha   148.272
_cell_angle_beta   132.430
_cell_angle_gamma   58.315
_symmetry_Int_Tables_number   1
_cell_volume   318.896
_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  0.311  0.561  0.250  1.0
  Nb  Nb1  1  0.689  0.939  0.250  1.0
  Nb  Nb2  1  0.689  0.439  0.750  1.0
  Nb  Nb3  1  0.311  0.061  0.750  1.0
  V  V4  1  0.975  0.359  0.616  1.0
  V  V5  1  0.025  0.641  0.384  1.0
  V  V6  1  0.187  0.936  0.251  1.0
  V  V7  1  0.813  0.064  0.749  1.0
  V  V8  1  0.315  0.564  0.751  1.0
  V  V9  1  0.685  0.436  0.249  1.0
  V  V10  1  0.257  0.141  0.116  1.0
  V  V11  1  0.743  0.859  0.884  1.0
  Si  Si12  1  0.653  0.560  0.093  1.0
  Si  Si13  1  0.347  0.440  0.907  1.0
  Si  Si14  1  0.533  0.940  0.593  1.0
  Si  Si15  1  0.467  0.060  0.407  1.0
  Si  Si16  1  0.403  0.708  0.695  1.0
  Si  Si17  1  0.597  0.292  0.305  1.0
  Si  Si18  1  0.000  0.250  0.250  1.0
  Si  Si19  1  0.000  0.750  0.750  1.0
  Si  Si20  1  0.013  0.208  0.805  1.0
  Si  Si21  1  0.987  0.792  0.195  1.0
[/CIF]
.