The structure described by NbCl6P2NCl6 is Indium-derived structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four NbCl6 clusters and four P2NCl6 clusters. In each NbCl6 cluster, Nb(1) is bonded in an octahedral geometry to two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(5) atoms. There are three 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 single-bond geometry to one Nb(1) atom. In the third Cl site, Cl(5) is bonded in a single-bond geometry to one Nb(1) atom. In each P2NCl6 cluster, P(1) is bonded to one N(1), one Cl(3), one Cl(4), and one Cl(6) atom to form corner-sharing PNCl3 tetrahedra. N(1) is bonded in a bent 150 degrees geometry to two equivalent P(1) atoms. There are three inequivalent Cl sites. In the first Cl site, Cl(3) is bonded in a single-bond geometry to one P(1) atom. In the second Cl site, Cl(4) is bonded in a single-bond geometry to one P(1) atom. In the third Cl site, Cl(6) is bonded in a single-bond geometry to one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbP2NCl12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.320
_cell_length_b   8.320
_cell_length_c   15.926
_cell_angle_alpha   78.477
_cell_angle_beta   78.477
_cell_angle_gamma   65.811
_symmetry_Int_Tables_number   1
_cell_volume   976.715
_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  0.460  0.320  0.771  1.0
  P  P3  1  0.680  0.540  0.729  1.0
  P  P4  1  0.320  0.460  0.271  1.0
  P  P5  1  0.540  0.680  0.229  1.0
  N  N6  1  0.621  0.379  0.750  1.0
  N  N7  1  0.379  0.621  0.250  1.0
  Cl  Cl8  1  0.704  0.219  0.008  1.0
  Cl  Cl9  1  0.787  0.897  0.473  1.0
  Cl  Cl10  1  0.296  0.781  0.992  1.0
  Cl  Cl11  1  0.902  0.483  0.649  1.0
  Cl  Cl12  1  0.239  0.498  0.824  1.0
  Cl  Cl13  1  0.517  0.098  0.851  1.0
  Cl  Cl14  1  0.103  0.213  0.027  1.0
  Cl  Cl15  1  0.483  0.902  0.149  1.0
  Cl  Cl16  1  0.954  0.910  0.151  1.0
  Cl  Cl17  1  0.781  0.296  0.492  1.0
  Cl  Cl18  1  0.910  0.954  0.651  1.0
  Cl  Cl19  1  0.213  0.103  0.527  1.0
  Cl  Cl20  1  0.897  0.787  0.973  1.0
  Cl  Cl21  1  0.273  0.401  0.166  1.0
  Cl  Cl22  1  0.599  0.727  0.334  1.0
  Cl  Cl23  1  0.090  0.046  0.349  1.0
  Cl  Cl24  1  0.727  0.599  0.834  1.0
  Cl  Cl25  1  0.219  0.704  0.508  1.0
  Cl  Cl26  1  0.046  0.090  0.849  1.0
  Cl  Cl27  1  0.098  0.517  0.351  1.0
  Cl  Cl28  1  0.761  0.502  0.176  1.0
  Cl  Cl29  1  0.502  0.761  0.676  1.0
  Cl  Cl30  1  0.401  0.273  0.666  1.0
  Cl  Cl31  1  0.498  0.239  0.324  1.0
[/CIF]
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The structure described by NbCl6P2NCl6 is Indium-derived structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four NbCl6 clusters and four P2NCl6 clusters. In each NbCl6 cluster, Nb(1) is bonded in an octahedral geometry to two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(5) atoms. There are three 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 single-bond geometry to one Nb(1) atom. In the third Cl site, Cl(5) is bonded in a single-bond geometry to one Nb(1) atom. In each P2NCl6 cluster, P(1) is bonded to one N(1), one Cl(3), one Cl(4), and one Cl(6) atom to form corner-sharing PNCl3 tetrahedra. N(1) is bonded in a bent 150 degrees geometry to two equivalent P(1) atoms. There are three inequivalent Cl sites. In the first Cl site, Cl(3) is bonded in a single-bond geometry to one P(1) atom. In the second Cl site, Cl(4) is bonded in a single-bond geometry to one P(1) atom. In the third Cl site, Cl(6) is bonded in a single-bond geometry to one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbP2NCl12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.320
_cell_length_b   8.320
_cell_length_c   15.926
_cell_angle_alpha   78.477
_cell_angle_beta   78.477
_cell_angle_gamma   65.811
_symmetry_Int_Tables_number   1
_cell_volume   976.715
_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  0.460  0.320  0.771  1.0
  P  P3  1  0.680  0.540  0.729  1.0
  P  P4  1  0.320  0.460  0.271  1.0
  P  P5  1  0.540  0.680  0.229  1.0
  N  N6  1  0.621  0.379  0.750  1.0
  N  N7  1  0.379  0.621  0.250  1.0
  Cl  Cl8  1  0.704  0.219  0.008  1.0
  Cl  Cl9  1  0.787  0.897  0.473  1.0
  Cl  Cl10  1  0.296  0.781  0.992  1.0
  Cl  Cl11  1  0.902  0.483  0.649  1.0
  Cl  Cl12  1  0.239  0.498  0.824  1.0
  Cl  Cl13  1  0.517  0.098  0.851  1.0
  Cl  Cl14  1  0.103  0.213  0.027  1.0
  Cl  Cl15  1  0.483  0.902  0.149  1.0
  Cl  Cl16  1  0.954  0.910  0.151  1.0
  Cl  Cl17  1  0.781  0.296  0.492  1.0
  Cl  Cl18  1  0.910  0.954  0.651  1.0
  Cl  Cl19  1  0.213  0.103  0.527  1.0
  Cl  Cl20  1  0.897  0.787  0.973  1.0
  Cl  Cl21  1  0.273  0.401  0.166  1.0
  Cl  Cl22  1  0.599  0.727  0.334  1.0
  Cl  Cl23  1  0.090  0.046  0.349  1.0
  Cl  Cl24  1  0.727  0.599  0.834  1.0
  Cl  Cl25  1  0.219  0.704  0.508  1.0
  Cl  Cl26  1  0.046  0.090  0.849  1.0
  Cl  Cl27  1  0.098  0.517  0.351  1.0
  Cl  Cl28  1  0.761  0.502  0.176  1.0
  Cl  Cl29  1  0.502  0.761  0.676  1.0
  Cl  Cl30  1  0.401  0.273  0.666  1.0
  Cl  Cl31  1  0.498  0.239  0.324  1.0
[/CIF]
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