The material structure described by TaCl6P2NCl6 is Indium-derived structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four P2NCl6 clusters and four TaCl6 clusters. In each P2NCl6 cluster, P(1) is bonded to one N(1), one Cl(1), one Cl(2), and one Cl(5) 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(1) is bonded in a single-bond geometry to one P(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one P(1) atom. In the third Cl site, Cl(5) is bonded in a single-bond geometry to one P(1) atom. In each TaCl6 cluster, Ta(1) is bonded in an octahedral geometry to two equivalent Cl(3), two equivalent Cl(4), and two equivalent Cl(6) atoms. There are three inequivalent Cl sites. In the first Cl site, Cl(6) is bonded in a single-bond geometry to one Ta(1) atom. In the second Cl site, Cl(3) is bonded in a single-bond geometry to one Ta(1) atom. In the third Cl site, Cl(4) is bonded in a single-bond geometry to one Ta(1) atom. is represented by the CIF file [CIF]
data_TaP2NCl12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.078
_cell_length_b   8.078
_cell_length_c   15.392
_cell_angle_alpha   78.314
_cell_angle_beta   78.314
_cell_angle_gamma   65.512
_symmetry_Int_Tables_number   1
_cell_volume   887.214
_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
  Ta  Ta0  1  0.000  0.000  0.500  1.0
  Ta  Ta1  1  0.000  0.000  0.000  1.0
  P  P2  1  0.459  0.318  0.271  1.0
  P  P3  1  0.682  0.541  0.229  1.0
  P  P4  1  0.318  0.459  0.771  1.0
  P  P5  1  0.541  0.682  0.729  1.0
  N  N6  1  0.376  0.624  0.750  1.0
  N  N7  1  0.624  0.376  0.250  1.0
  Cl  Cl8  1  0.767  0.499  0.674  1.0
  Cl  Cl9  1  0.270  0.398  0.664  1.0
  Cl  Cl10  1  0.398  0.270  0.164  1.0
  Cl  Cl11  1  0.499  0.767  0.174  1.0
  Cl  Cl12  1  0.103  0.216  0.529  1.0
  Cl  Cl13  1  0.047  0.095  0.345  1.0
  Cl  Cl14  1  0.501  0.233  0.826  1.0
  Cl  Cl15  1  0.095  0.047  0.845  1.0
  Cl  Cl16  1  0.089  0.515  0.854  1.0
  Cl  Cl17  1  0.911  0.485  0.146  1.0
  Cl  Cl18  1  0.905  0.953  0.155  1.0
  Cl  Cl19  1  0.697  0.223  0.509  1.0
  Cl  Cl20  1  0.216  0.103  0.029  1.0
  Cl  Cl21  1  0.953  0.905  0.655  1.0
  Cl  Cl22  1  0.303  0.777  0.491  1.0
  Cl  Cl23  1  0.223  0.697  0.009  1.0
  Cl  Cl24  1  0.515  0.089  0.354  1.0
  Cl  Cl25  1  0.784  0.897  0.971  1.0
  Cl  Cl26  1  0.233  0.501  0.326  1.0
  Cl  Cl27  1  0.485  0.911  0.646  1.0
  Cl  Cl28  1  0.897  0.784  0.471  1.0
  Cl  Cl29  1  0.730  0.602  0.336  1.0
  Cl  Cl30  1  0.602  0.730  0.836  1.0
  Cl  Cl31  1  0.777  0.303  0.991  1.0
[/CIF]
.
The material structure described by TaCl6P2NCl6 is Indium-derived structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four P2NCl6 clusters and four TaCl6 clusters. In each P2NCl6 cluster, P(1) is bonded to one N(1), one Cl(1), one Cl(2), and one Cl(5) 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(1) is bonded in a single-bond geometry to one P(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one P(1) atom. In the third Cl site, Cl(5) is bonded in a single-bond geometry to one P(1) atom. In each TaCl6 cluster, Ta(1) is bonded in an octahedral geometry to two equivalent Cl(3), two equivalent Cl(4), and two equivalent Cl(6) atoms. There are three inequivalent Cl sites. In the first Cl site, Cl(6) is bonded in a single-bond geometry to one Ta(1) atom. In the second Cl site, Cl(3) is bonded in a single-bond geometry to one Ta(1) atom. In the third Cl site, Cl(4) is bonded in a single-bond geometry to one Ta(1) atom. is represented by the CIF file [CIF]
data_TaP2NCl12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.078
_cell_length_b   8.078
_cell_length_c   15.392
_cell_angle_alpha   78.314
_cell_angle_beta   78.314
_cell_angle_gamma   65.512
_symmetry_Int_Tables_number   1
_cell_volume   887.214
_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
  Ta  Ta0  1  0.000  0.000  0.500  1.0
  Ta  Ta1  1  0.000  0.000  0.000  1.0
  P  P2  1  0.459  0.318  0.271  1.0
  P  P3  1  0.682  0.541  0.229  1.0
  P  P4  1  0.318  0.459  0.771  1.0
  P  P5  1  0.541  0.682  0.729  1.0
  N  N6  1  0.376  0.624  0.750  1.0
  N  N7  1  0.624  0.376  0.250  1.0
  Cl  Cl8  1  0.767  0.499  0.674  1.0
  Cl  Cl9  1  0.270  0.398  0.664  1.0
  Cl  Cl10  1  0.398  0.270  0.164  1.0
  Cl  Cl11  1  0.499  0.767  0.174  1.0
  Cl  Cl12  1  0.103  0.216  0.529  1.0
  Cl  Cl13  1  0.047  0.095  0.345  1.0
  Cl  Cl14  1  0.501  0.233  0.826  1.0
  Cl  Cl15  1  0.095  0.047  0.845  1.0
  Cl  Cl16  1  0.089  0.515  0.854  1.0
  Cl  Cl17  1  0.911  0.485  0.146  1.0
  Cl  Cl18  1  0.905  0.953  0.155  1.0
  Cl  Cl19  1  0.697  0.223  0.509  1.0
  Cl  Cl20  1  0.216  0.103  0.029  1.0
  Cl  Cl21  1  0.953  0.905  0.655  1.0
  Cl  Cl22  1  0.303  0.777  0.491  1.0
  Cl  Cl23  1  0.223  0.697  0.009  1.0
  Cl  Cl24  1  0.515  0.089  0.354  1.0
  Cl  Cl25  1  0.784  0.897  0.971  1.0
  Cl  Cl26  1  0.233  0.501  0.326  1.0
  Cl  Cl27  1  0.485  0.911  0.646  1.0
  Cl  Cl28  1  0.897  0.784  0.471  1.0
  Cl  Cl29  1  0.730  0.602  0.336  1.0
  Cl  Cl30  1  0.602  0.730  0.836  1.0
  Cl  Cl31  1  0.777  0.303  0.991  1.0
[/CIF]
.