The material structure described by PNCl2 is Indium-like structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four 2,2,4,4,6,6-hexachloro-1,3,5,2,4,6-triazatriphosphinane-2,4,6-triium molecules. There are two inequivalent P sites. In the first P site, P(1) is bonded to one N(1), one N(2), one Cl(3), and one Cl(4) atom to form corner-sharing PN2Cl2 tetrahedra. In the second P site, P(2) is bonded to two equivalent N(1) and two equivalent Cl(1,2) atoms to form corner-sharing PN2Cl2 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the second N site, N(2) is bonded in a bent 120 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(1,2) is bonded in a single-bond geometry to one P(2) atom. is represented by the CIF file [CIF]
data_PNCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.554
_cell_length_b   13.750
_cell_length_c   14.740
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1328.339
_cell_formula_units_Z   12
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
  P  P0  1  0.938  0.351  0.905  1.0
  P  P1  1  0.438  0.649  0.595  1.0
  P  P2  1  0.062  0.851  0.095  1.0
  P  P3  1  0.562  0.149  0.405  1.0
  P  P4  1  0.062  0.649  0.095  1.0
  P  P5  1  0.562  0.351  0.405  1.0
  P  P6  1  0.938  0.149  0.905  1.0
  P  P7  1  0.438  0.851  0.595  1.0
  P  P8  1  0.910  0.750  0.946  1.0
  P  P9  1  0.410  0.250  0.554  1.0
  P  P10  1  0.090  0.250  0.054  1.0
  P  P11  1  0.590  0.750  0.446  1.0
  N  N12  1  0.044  0.350  0.003  1.0
  N  N13  1  0.544  0.650  0.497  1.0
  N  N14  1  0.956  0.850  0.997  1.0
  N  N15  1  0.456  0.150  0.503  1.0
  N  N16  1  0.956  0.650  0.997  1.0
  N  N17  1  0.456  0.350  0.503  1.0
  N  N18  1  0.044  0.150  0.003  1.0
  N  N19  1  0.544  0.850  0.497  1.0
  N  N20  1  0.103  0.750  0.145  1.0
  N  N21  1  0.603  0.250  0.355  1.0
  N  N22  1  0.897  0.250  0.855  1.0
  N  N23  1  0.397  0.750  0.645  1.0
  Cl  Cl24  1  0.442  0.750  0.326  1.0
  Cl  Cl25  1  0.942  0.250  0.174  1.0
  Cl  Cl26  1  0.558  0.250  0.674  1.0
  Cl  Cl27  1  0.058  0.750  0.826  1.0
  Cl  Cl28  1  0.884  0.750  0.406  1.0
  Cl  Cl29  1  0.384  0.250  0.094  1.0
  Cl  Cl30  1  0.116  0.250  0.594  1.0
  Cl  Cl31  1  0.616  0.750  0.906  1.0
  Cl  Cl32  1  0.172  0.925  0.586  1.0
  Cl  Cl33  1  0.672  0.075  0.914  1.0
  Cl  Cl34  1  0.828  0.425  0.414  1.0
  Cl  Cl35  1  0.328  0.575  0.086  1.0
  Cl  Cl36  1  0.828  0.075  0.414  1.0
  Cl  Cl37  1  0.328  0.925  0.086  1.0
  Cl  Cl38  1  0.172  0.575  0.586  1.0
  Cl  Cl39  1  0.672  0.425  0.914  1.0
  Cl  Cl40  1  0.602  0.936  0.678  1.0
  Cl  Cl41  1  0.102  0.064  0.822  1.0
  Cl  Cl42  1  0.398  0.436  0.322  1.0
  Cl  Cl43  1  0.898  0.564  0.178  1.0
  Cl  Cl44  1  0.398  0.064  0.322  1.0
  Cl  Cl45  1  0.898  0.936  0.178  1.0
  Cl  Cl46  1  0.602  0.564  0.678  1.0
  Cl  Cl47  1  0.102  0.436  0.822  1.0
[/CIF]
.
The material structure described by PNCl2 is Indium-like structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four 2,2,4,4,6,6-hexachloro-1,3,5,2,4,6-triazatriphosphinane-2,4,6-triium molecules. There are two inequivalent P sites. In the first P site, P(1) is bonded to one N(1), one N(2), one Cl(3), and one Cl(4) atom to form corner-sharing PN2Cl2 tetrahedra. In the second P site, P(2) is bonded to two equivalent N(1) and two equivalent Cl(1,2) atoms to form corner-sharing PN2Cl2 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the second N site, N(2) is bonded in a bent 120 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(1,2) is bonded in a single-bond geometry to one P(2) atom. is represented by the CIF file [CIF]
data_PNCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.554
_cell_length_b   13.750
_cell_length_c   14.740
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1328.339
_cell_formula_units_Z   12
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
  P  P0  1  0.938  0.351  0.905  1.0
  P  P1  1  0.438  0.649  0.595  1.0
  P  P2  1  0.062  0.851  0.095  1.0
  P  P3  1  0.562  0.149  0.405  1.0
  P  P4  1  0.062  0.649  0.095  1.0
  P  P5  1  0.562  0.351  0.405  1.0
  P  P6  1  0.938  0.149  0.905  1.0
  P  P7  1  0.438  0.851  0.595  1.0
  P  P8  1  0.910  0.750  0.946  1.0
  P  P9  1  0.410  0.250  0.554  1.0
  P  P10  1  0.090  0.250  0.054  1.0
  P  P11  1  0.590  0.750  0.446  1.0
  N  N12  1  0.044  0.350  0.003  1.0
  N  N13  1  0.544  0.650  0.497  1.0
  N  N14  1  0.956  0.850  0.997  1.0
  N  N15  1  0.456  0.150  0.503  1.0
  N  N16  1  0.956  0.650  0.997  1.0
  N  N17  1  0.456  0.350  0.503  1.0
  N  N18  1  0.044  0.150  0.003  1.0
  N  N19  1  0.544  0.850  0.497  1.0
  N  N20  1  0.103  0.750  0.145  1.0
  N  N21  1  0.603  0.250  0.355  1.0
  N  N22  1  0.897  0.250  0.855  1.0
  N  N23  1  0.397  0.750  0.645  1.0
  Cl  Cl24  1  0.442  0.750  0.326  1.0
  Cl  Cl25  1  0.942  0.250  0.174  1.0
  Cl  Cl26  1  0.558  0.250  0.674  1.0
  Cl  Cl27  1  0.058  0.750  0.826  1.0
  Cl  Cl28  1  0.884  0.750  0.406  1.0
  Cl  Cl29  1  0.384  0.250  0.094  1.0
  Cl  Cl30  1  0.116  0.250  0.594  1.0
  Cl  Cl31  1  0.616  0.750  0.906  1.0
  Cl  Cl32  1  0.172  0.925  0.586  1.0
  Cl  Cl33  1  0.672  0.075  0.914  1.0
  Cl  Cl34  1  0.828  0.425  0.414  1.0
  Cl  Cl35  1  0.328  0.575  0.086  1.0
  Cl  Cl36  1  0.828  0.075  0.414  1.0
  Cl  Cl37  1  0.328  0.925  0.086  1.0
  Cl  Cl38  1  0.172  0.575  0.586  1.0
  Cl  Cl39  1  0.672  0.425  0.914  1.0
  Cl  Cl40  1  0.602  0.936  0.678  1.0
  Cl  Cl41  1  0.102  0.064  0.822  1.0
  Cl  Cl42  1  0.398  0.436  0.322  1.0
  Cl  Cl43  1  0.898  0.564  0.178  1.0
  Cl  Cl44  1  0.398  0.064  0.322  1.0
  Cl  Cl45  1  0.898  0.936  0.178  1.0
  Cl  Cl46  1  0.602  0.564  0.678  1.0
  Cl  Cl47  1  0.102  0.436  0.822  1.0
[/CIF]
.