The material described by NbCl6PCl4 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two [pcl4]+1 molecules and two NbCl6 clusters. In one of the NbCl6 clusters, Nb(1) is bonded in an octahedral geometry to two equivalent Cl(2,3,5); two equivalent Cl(4); and two equivalent Cl(6) atoms. There are three inequivalent Cl sites. In the first Cl site, Cl(4) is bonded in a single-bond geometry to one Nb(1) atom. In the second Cl site, Cl(2,3,5) is bonded in a single-bond geometry to one Nb(2) atom. In the third Cl site, Cl(6) is bonded in a single-bond geometry to one Nb(1) atom. In one of the NbCl6 clusters, Nb(2) is bonded in an octahedral geometry to two equivalent Cl(1) and four equivalent Cl(2,3,5) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Nb(2) atom. In the second Cl site, Cl(2,3,5) is bonded in a single-bond geometry to one Nb(2) atom. is represented by the CIF card [CIF]
data_NbPCl10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.014
_cell_length_b   7.355
_cell_length_c   13.600
_cell_angle_alpha   90.664
_cell_angle_beta   91.484
_cell_angle_gamma   106.204
_symmetry_Int_Tables_number   1
_cell_volume   673.329
_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  0.000  0.000  0.500  1.0
  Nb  Nb1  1  0.000  0.000  0.000  1.0
  P  P2  1  0.378  0.593  0.761  1.0
  P  P3  1  0.622  0.407  0.239  1.0
  Cl  Cl4  1  0.308  0.080  0.920  1.0
  Cl  Cl5  1  0.692  0.920  0.080  1.0
  Cl  Cl6  1  0.118  0.275  0.104  1.0
  Cl  Cl7  1  0.882  0.725  0.896  1.0
  Cl  Cl8  1  0.129  0.818  0.114  1.0
  Cl  Cl9  1  0.871  0.182  0.886  1.0
  Cl  Cl10  1  0.235  0.299  0.477  1.0
  Cl  Cl11  1  0.765  0.701  0.523  1.0
  Cl  Cl12  1  0.241  0.842  0.454  1.0
  Cl  Cl13  1  0.759  0.158  0.546  1.0
  Cl  Cl14  1  0.105  0.006  0.667  1.0
  Cl  Cl15  1  0.895  0.994  0.333  1.0
  Cl  Cl16  1  0.662  0.411  0.098  1.0
  Cl  Cl17  1  0.338  0.589  0.902  1.0
  Cl  Cl18  1  0.878  0.476  0.308  1.0
  Cl  Cl19  1  0.122  0.524  0.692  1.0
  Cl  Cl20  1  0.470  0.157  0.277  1.0
  Cl  Cl21  1  0.530  0.843  0.723  1.0
  Cl  Cl22  1  0.478  0.588  0.274  1.0
  Cl  Cl23  1  0.522  0.412  0.726  1.0
[/CIF]
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The material described by NbCl6PCl4 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two [pcl4]+1 molecules and two NbCl6 clusters. In one of the NbCl6 clusters, Nb(1) is bonded in an octahedral geometry to two equivalent Cl(2,3,5); two equivalent Cl(4); and two equivalent Cl(6) atoms. There are three inequivalent Cl sites. In the first Cl site, Cl(4) is bonded in a single-bond geometry to one Nb(1) atom. In the second Cl site, Cl(2,3,5) is bonded in a single-bond geometry to one Nb(2) atom. In the third Cl site, Cl(6) is bonded in a single-bond geometry to one Nb(1) atom. In one of the NbCl6 clusters, Nb(2) is bonded in an octahedral geometry to two equivalent Cl(1) and four equivalent Cl(2,3,5) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Nb(2) atom. In the second Cl site, Cl(2,3,5) is bonded in a single-bond geometry to one Nb(2) atom. is represented by the CIF card [CIF]
data_NbPCl10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.014
_cell_length_b   7.355
_cell_length_c   13.600
_cell_angle_alpha   90.664
_cell_angle_beta   91.484
_cell_angle_gamma   106.204
_symmetry_Int_Tables_number   1
_cell_volume   673.329
_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  0.000  0.000  0.500  1.0
  Nb  Nb1  1  0.000  0.000  0.000  1.0
  P  P2  1  0.378  0.593  0.761  1.0
  P  P3  1  0.622  0.407  0.239  1.0
  Cl  Cl4  1  0.308  0.080  0.920  1.0
  Cl  Cl5  1  0.692  0.920  0.080  1.0
  Cl  Cl6  1  0.118  0.275  0.104  1.0
  Cl  Cl7  1  0.882  0.725  0.896  1.0
  Cl  Cl8  1  0.129  0.818  0.114  1.0
  Cl  Cl9  1  0.871  0.182  0.886  1.0
  Cl  Cl10  1  0.235  0.299  0.477  1.0
  Cl  Cl11  1  0.765  0.701  0.523  1.0
  Cl  Cl12  1  0.241  0.842  0.454  1.0
  Cl  Cl13  1  0.759  0.158  0.546  1.0
  Cl  Cl14  1  0.105  0.006  0.667  1.0
  Cl  Cl15  1  0.895  0.994  0.333  1.0
  Cl  Cl16  1  0.662  0.411  0.098  1.0
  Cl  Cl17  1  0.338  0.589  0.902  1.0
  Cl  Cl18  1  0.878  0.476  0.308  1.0
  Cl  Cl19  1  0.122  0.524  0.692  1.0
  Cl  Cl20  1  0.470  0.157  0.277  1.0
  Cl  Cl21  1  0.530  0.843  0.723  1.0
  Cl  Cl22  1  0.478  0.588  0.274  1.0
  Cl  Cl23  1  0.522  0.412  0.726  1.0
[/CIF]
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