The material described by PNF2 is Indium-like structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of four 2,2,4,4,6,6-hexafluoro-1,3,5,2,4,6-triazatriphosphinane-2,4,6-triium molecules. There are three inequivalent P sites. In the first P site, P(1) is bonded to one N(1), one N(3), one F(1), and one F(6) atom to form corner-sharing PN2F2 tetrahedra. In the second P site, P(2) is bonded to one N(1), one N(2), one F(2), and one F(4) atom to form corner-sharing PN2F2 tetrahedra. In the third P site, P(3) is bonded to one N(2), one N(3), one F(3), and one F(5) atom to form corner-sharing PN2F2 tetrahedra. There are three 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 one P(2) and one P(3) atom. In the third N site, N(3) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. There are six inequivalent F sites. In the first F site, F(5) is bonded in a single-bond geometry to one P(3) atom. In the second F site, F(6) is bonded in a single-bond geometry to one P(1) atom. In the third F site, F(1) is bonded in a single-bond geometry to one P(1) atom. In the fourth F site, F(2) is bonded in a single-bond geometry to one P(2) atom. In the fifth F site, F(3) is bonded in a single-bond geometry to one P(3) atom. In the sixth F site, F(4) is bonded in a single-bond geometry to one P(2) atom. is represented by the CIF card [CIF]
data_PNF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.520
_cell_length_b   9.043
_cell_length_c   13.738
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   934.298
_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  0.316  0.450  0.161  1.0
  P  P1  1  0.184  0.950  0.661  1.0
  P  P2  1  0.159  0.960  0.861  1.0
  P  P3  1  0.976  0.478  0.771  1.0
  P  P4  1  0.024  0.522  0.271  1.0
  P  P5  1  0.476  0.022  0.771  1.0
  P  P6  1  0.524  0.978  0.271  1.0
  P  P7  1  0.659  0.540  0.861  1.0
  P  P8  1  0.684  0.550  0.661  1.0
  P  P9  1  0.841  0.040  0.361  1.0
  P  P10  1  0.816  0.050  0.161  1.0
  P  P11  1  0.341  0.460  0.361  1.0
  N  N12  1  0.428  0.428  0.258  1.0
  N  N13  1  0.861  0.492  0.866  1.0
  N  N14  1  0.611  0.012  0.168  1.0
  N  N15  1  0.389  0.988  0.668  1.0
  N  N16  1  0.928  0.072  0.258  1.0
  N  N17  1  0.139  0.508  0.366  1.0
  N  N18  1  0.889  0.512  0.668  1.0
  N  N19  1  0.111  0.488  0.168  1.0
  N  N20  1  0.361  0.008  0.866  1.0
  N  N21  1  0.639  0.992  0.366  1.0
  N  N22  1  0.072  0.928  0.758  1.0
  N  N23  1  0.572  0.572  0.758  1.0
  F  F24  1  0.658  0.688  0.595  1.0
  F  F25  1  0.127  0.825  0.929  1.0
  F  F26  1  0.649  0.929  0.782  1.0
  F  F27  1  0.342  0.312  0.095  1.0
  F  F28  1  0.956  0.924  0.416  1.0
  F  F29  1  0.456  0.576  0.416  1.0
  F  F30  1  0.373  0.325  0.429  1.0
  F  F31  1  0.873  0.175  0.429  1.0
  F  F32  1  0.351  0.071  0.282  1.0
  F  F33  1  0.065  0.322  0.767  1.0
  F  F34  1  0.910  0.933  0.096  1.0
  F  F35  1  0.435  0.822  0.267  1.0
  F  F36  1  0.627  0.675  0.929  1.0
  F  F37  1  0.044  0.076  0.916  1.0
  F  F38  1  0.842  0.188  0.095  1.0
  F  F39  1  0.090  0.067  0.596  1.0
  F  F40  1  0.935  0.678  0.267  1.0
  F  F41  1  0.149  0.571  0.782  1.0
  F  F42  1  0.158  0.812  0.595  1.0
  F  F43  1  0.565  0.178  0.767  1.0
  F  F44  1  0.410  0.567  0.096  1.0
  F  F45  1  0.590  0.433  0.596  1.0
  F  F46  1  0.851  0.429  0.282  1.0
  F  F47  1  0.544  0.424  0.916  1.0
[/CIF]
.
The material described by PNF2 is Indium-like structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of four 2,2,4,4,6,6-hexafluoro-1,3,5,2,4,6-triazatriphosphinane-2,4,6-triium molecules. There are three inequivalent P sites. In the first P site, P(1) is bonded to one N(1), one N(3), one F(1), and one F(6) atom to form corner-sharing PN2F2 tetrahedra. In the second P site, P(2) is bonded to one N(1), one N(2), one F(2), and one F(4) atom to form corner-sharing PN2F2 tetrahedra. In the third P site, P(3) is bonded to one N(2), one N(3), one F(3), and one F(5) atom to form corner-sharing PN2F2 tetrahedra. There are three 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 one P(2) and one P(3) atom. In the third N site, N(3) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. There are six inequivalent F sites. In the first F site, F(5) is bonded in a single-bond geometry to one P(3) atom. In the second F site, F(6) is bonded in a single-bond geometry to one P(1) atom. In the third F site, F(1) is bonded in a single-bond geometry to one P(1) atom. In the fourth F site, F(2) is bonded in a single-bond geometry to one P(2) atom. In the fifth F site, F(3) is bonded in a single-bond geometry to one P(3) atom. In the sixth F site, F(4) is bonded in a single-bond geometry to one P(2) atom. is represented by the CIF card [CIF]
data_PNF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.520
_cell_length_b   9.043
_cell_length_c   13.738
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   934.298
_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  0.316  0.450  0.161  1.0
  P  P1  1  0.184  0.950  0.661  1.0
  P  P2  1  0.159  0.960  0.861  1.0
  P  P3  1  0.976  0.478  0.771  1.0
  P  P4  1  0.024  0.522  0.271  1.0
  P  P5  1  0.476  0.022  0.771  1.0
  P  P6  1  0.524  0.978  0.271  1.0
  P  P7  1  0.659  0.540  0.861  1.0
  P  P8  1  0.684  0.550  0.661  1.0
  P  P9  1  0.841  0.040  0.361  1.0
  P  P10  1  0.816  0.050  0.161  1.0
  P  P11  1  0.341  0.460  0.361  1.0
  N  N12  1  0.428  0.428  0.258  1.0
  N  N13  1  0.861  0.492  0.866  1.0
  N  N14  1  0.611  0.012  0.168  1.0
  N  N15  1  0.389  0.988  0.668  1.0
  N  N16  1  0.928  0.072  0.258  1.0
  N  N17  1  0.139  0.508  0.366  1.0
  N  N18  1  0.889  0.512  0.668  1.0
  N  N19  1  0.111  0.488  0.168  1.0
  N  N20  1  0.361  0.008  0.866  1.0
  N  N21  1  0.639  0.992  0.366  1.0
  N  N22  1  0.072  0.928  0.758  1.0
  N  N23  1  0.572  0.572  0.758  1.0
  F  F24  1  0.658  0.688  0.595  1.0
  F  F25  1  0.127  0.825  0.929  1.0
  F  F26  1  0.649  0.929  0.782  1.0
  F  F27  1  0.342  0.312  0.095  1.0
  F  F28  1  0.956  0.924  0.416  1.0
  F  F29  1  0.456  0.576  0.416  1.0
  F  F30  1  0.373  0.325  0.429  1.0
  F  F31  1  0.873  0.175  0.429  1.0
  F  F32  1  0.351  0.071  0.282  1.0
  F  F33  1  0.065  0.322  0.767  1.0
  F  F34  1  0.910  0.933  0.096  1.0
  F  F35  1  0.435  0.822  0.267  1.0
  F  F36  1  0.627  0.675  0.929  1.0
  F  F37  1  0.044  0.076  0.916  1.0
  F  F38  1  0.842  0.188  0.095  1.0
  F  F39  1  0.090  0.067  0.596  1.0
  F  F40  1  0.935  0.678  0.267  1.0
  F  F41  1  0.149  0.571  0.782  1.0
  F  F42  1  0.158  0.812  0.595  1.0
  F  F43  1  0.565  0.178  0.767  1.0
  F  F44  1  0.410  0.567  0.096  1.0
  F  F45  1  0.590  0.433  0.596  1.0
  F  F46  1  0.851  0.429  0.282  1.0
  F  F47  1  0.544  0.424  0.916  1.0
[/CIF]
.