The material structure described by NbCl5 is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two NbCl5 clusters. Nb(1) is bonded to one Cl(1), one Cl(3), one Cl(4), one Cl(5), and two equivalent Cl(2) atoms to form edge-sharing NbCl6 octahedra. There are five inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Nb(1) atom. In the second Cl site, Cl(2) is bonded in a water-like geometry to two equivalent Nb(1) atoms. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Nb(1) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Nb(1) atom. In the fifth Cl site, Cl(5) is bonded in a single-bond geometry to one Nb(1) atom. is represented by the CIF file [CIF]
data_NbCl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.057
_cell_length_b   8.196
_cell_length_c   10.370
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.975
_symmetry_Int_Tables_number   1
_cell_volume   684.773
_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  0.554  0.337  0.139  1.0
  Nb  Nb1  1  0.946  0.163  0.639  1.0
  Nb  Nb2  1  0.054  0.837  0.361  1.0
  Nb  Nb3  1  0.446  0.663  0.861  1.0
  Cl  Cl4  1  0.139  0.573  0.380  1.0
  Cl  Cl5  1  0.459  0.636  0.109  1.0
  Cl  Cl6  1  0.774  0.772  0.377  1.0
  Cl  Cl7  1  0.226  0.228  0.623  1.0
  Cl  Cl8  1  0.639  0.073  0.120  1.0
  Cl  Cl9  1  0.361  0.927  0.880  1.0
  Cl  Cl10  1  0.678  0.060  0.618  1.0
  Cl  Cl11  1  0.822  0.440  0.118  1.0
  Cl  Cl12  1  0.454  0.631  0.643  1.0
  Cl  Cl13  1  0.541  0.364  0.891  1.0
  Cl  Cl14  1  0.178  0.560  0.882  1.0
  Cl  Cl15  1  0.726  0.728  0.877  1.0
  Cl  Cl16  1  0.954  0.131  0.857  1.0
  Cl  Cl17  1  0.274  0.272  0.123  1.0
  Cl  Cl18  1  0.041  0.864  0.609  1.0
  Cl  Cl19  1  0.959  0.136  0.391  1.0
  Cl  Cl20  1  0.546  0.369  0.357  1.0
  Cl  Cl21  1  0.322  0.940  0.382  1.0
  Cl  Cl22  1  0.861  0.427  0.620  1.0
  Cl  Cl23  1  0.046  0.869  0.143  1.0
[/CIF]
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The material structure described by NbCl5 is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two NbCl5 clusters. Nb(1) is bonded to one Cl(1), one Cl(3), one Cl(4), one Cl(5), and two equivalent Cl(2) atoms to form edge-sharing NbCl6 octahedra. There are five inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Nb(1) atom. In the second Cl site, Cl(2) is bonded in a water-like geometry to two equivalent Nb(1) atoms. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Nb(1) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Nb(1) atom. In the fifth Cl site, Cl(5) is bonded in a single-bond geometry to one Nb(1) atom. is represented by the CIF file [CIF]
data_NbCl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.057
_cell_length_b   8.196
_cell_length_c   10.370
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.975
_symmetry_Int_Tables_number   1
_cell_volume   684.773
_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  0.554  0.337  0.139  1.0
  Nb  Nb1  1  0.946  0.163  0.639  1.0
  Nb  Nb2  1  0.054  0.837  0.361  1.0
  Nb  Nb3  1  0.446  0.663  0.861  1.0
  Cl  Cl4  1  0.139  0.573  0.380  1.0
  Cl  Cl5  1  0.459  0.636  0.109  1.0
  Cl  Cl6  1  0.774  0.772  0.377  1.0
  Cl  Cl7  1  0.226  0.228  0.623  1.0
  Cl  Cl8  1  0.639  0.073  0.120  1.0
  Cl  Cl9  1  0.361  0.927  0.880  1.0
  Cl  Cl10  1  0.678  0.060  0.618  1.0
  Cl  Cl11  1  0.822  0.440  0.118  1.0
  Cl  Cl12  1  0.454  0.631  0.643  1.0
  Cl  Cl13  1  0.541  0.364  0.891  1.0
  Cl  Cl14  1  0.178  0.560  0.882  1.0
  Cl  Cl15  1  0.726  0.728  0.877  1.0
  Cl  Cl16  1  0.954  0.131  0.857  1.0
  Cl  Cl17  1  0.274  0.272  0.123  1.0
  Cl  Cl18  1  0.041  0.864  0.609  1.0
  Cl  Cl19  1  0.959  0.136  0.391  1.0
  Cl  Cl20  1  0.546  0.369  0.357  1.0
  Cl  Cl21  1  0.322  0.940  0.382  1.0
  Cl  Cl22  1  0.861  0.427  0.620  1.0
  Cl  Cl23  1  0.046  0.869  0.143  1.0
[/CIF]
.