The structure described by PNF2 is beta Np structured and crystallizes in the orthorhombic Pnma 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 two inequivalent P sites. In the first P site, P(1) is bonded to one N(1), one N(2), one F(1), and one F(4) atom to form corner-sharing PN2F2 tetrahedra. In the second P site, P(2) is bonded to two equivalent N(1), one F(2), and one F(3) atom to form corner-sharing PN2F2 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 four inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one P(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one P(2) atom. In the third F site, F(3) is bonded in a single-bond geometry to one P(2) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one P(1) atom. is represented by the CIF card [CIF]
data_PNF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.225
_cell_length_b   9.213
_cell_length_c   12.330
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   820.728
_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  0.667  0.599  0.861  1.0
  P  P1  1  0.592  0.559  0.250  1.0
  P  P2  1  0.833  0.099  0.139  1.0
  P  P3  1  0.908  0.059  0.750  1.0
  P  P4  1  0.333  0.401  0.361  1.0
  P  P5  1  0.092  0.941  0.250  1.0
  P  P6  1  0.167  0.901  0.861  1.0
  P  P7  1  0.333  0.401  0.139  1.0
  P  P8  1  0.667  0.599  0.639  1.0
  P  P9  1  0.833  0.099  0.361  1.0
  P  P10  1  0.408  0.441  0.750  1.0
  P  P11  1  0.167  0.901  0.639  1.0
  N  N12  1  0.503  0.509  0.361  1.0
  N  N13  1  0.497  0.491  0.861  1.0
  N  N14  1  0.997  0.009  0.639  1.0
  N  N15  1  0.254  0.849  0.750  1.0
  N  N16  1  0.003  0.991  0.139  1.0
  N  N17  1  0.497  0.491  0.639  1.0
  N  N18  1  0.997  0.009  0.861  1.0
  N  N19  1  0.003  0.991  0.361  1.0
  N  N20  1  0.746  0.151  0.250  1.0
  N  N21  1  0.246  0.349  0.250  1.0
  N  N22  1  0.754  0.651  0.750  1.0
  N  N23  1  0.503  0.509  0.139  1.0
  F  F24  1  0.119  0.765  0.569  1.0
  F  F25  1  0.891  0.228  0.750  1.0
  F  F26  1  0.698  0.023  0.750  1.0
  F  F27  1  0.619  0.735  0.569  1.0
  F  F28  1  0.609  0.728  0.250  1.0
  F  F29  1  0.802  0.523  0.250  1.0
  F  F30  1  0.177  0.465  0.434  1.0
  F  F31  1  0.881  0.235  0.069  1.0
  F  F32  1  0.119  0.765  0.931  1.0
  F  F33  1  0.391  0.272  0.750  1.0
  F  F34  1  0.823  0.535  0.934  1.0
  F  F35  1  0.198  0.477  0.750  1.0
  F  F36  1  0.823  0.535  0.566  1.0
  F  F37  1  0.302  0.977  0.250  1.0
  F  F38  1  0.323  0.965  0.934  1.0
  F  F39  1  0.677  0.035  0.434  1.0
  F  F40  1  0.109  0.772  0.250  1.0
  F  F41  1  0.881  0.235  0.431  1.0
  F  F42  1  0.177  0.465  0.066  1.0
  F  F43  1  0.381  0.265  0.431  1.0
  F  F44  1  0.619  0.735  0.931  1.0
  F  F45  1  0.677  0.035  0.066  1.0
  F  F46  1  0.323  0.965  0.566  1.0
  F  F47  1  0.381  0.265  0.069  1.0
[/CIF]
.
The structure described by PNF2 is beta Np structured and crystallizes in the orthorhombic Pnma 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 two inequivalent P sites. In the first P site, P(1) is bonded to one N(1), one N(2), one F(1), and one F(4) atom to form corner-sharing PN2F2 tetrahedra. In the second P site, P(2) is bonded to two equivalent N(1), one F(2), and one F(3) atom to form corner-sharing PN2F2 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 four inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one P(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one P(2) atom. In the third F site, F(3) is bonded in a single-bond geometry to one P(2) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one P(1) atom. is represented by the CIF card [CIF]
data_PNF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.225
_cell_length_b   9.213
_cell_length_c   12.330
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   820.728
_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  0.667  0.599  0.861  1.0
  P  P1  1  0.592  0.559  0.250  1.0
  P  P2  1  0.833  0.099  0.139  1.0
  P  P3  1  0.908  0.059  0.750  1.0
  P  P4  1  0.333  0.401  0.361  1.0
  P  P5  1  0.092  0.941  0.250  1.0
  P  P6  1  0.167  0.901  0.861  1.0
  P  P7  1  0.333  0.401  0.139  1.0
  P  P8  1  0.667  0.599  0.639  1.0
  P  P9  1  0.833  0.099  0.361  1.0
  P  P10  1  0.408  0.441  0.750  1.0
  P  P11  1  0.167  0.901  0.639  1.0
  N  N12  1  0.503  0.509  0.361  1.0
  N  N13  1  0.497  0.491  0.861  1.0
  N  N14  1  0.997  0.009  0.639  1.0
  N  N15  1  0.254  0.849  0.750  1.0
  N  N16  1  0.003  0.991  0.139  1.0
  N  N17  1  0.497  0.491  0.639  1.0
  N  N18  1  0.997  0.009  0.861  1.0
  N  N19  1  0.003  0.991  0.361  1.0
  N  N20  1  0.746  0.151  0.250  1.0
  N  N21  1  0.246  0.349  0.250  1.0
  N  N22  1  0.754  0.651  0.750  1.0
  N  N23  1  0.503  0.509  0.139  1.0
  F  F24  1  0.119  0.765  0.569  1.0
  F  F25  1  0.891  0.228  0.750  1.0
  F  F26  1  0.698  0.023  0.750  1.0
  F  F27  1  0.619  0.735  0.569  1.0
  F  F28  1  0.609  0.728  0.250  1.0
  F  F29  1  0.802  0.523  0.250  1.0
  F  F30  1  0.177  0.465  0.434  1.0
  F  F31  1  0.881  0.235  0.069  1.0
  F  F32  1  0.119  0.765  0.931  1.0
  F  F33  1  0.391  0.272  0.750  1.0
  F  F34  1  0.823  0.535  0.934  1.0
  F  F35  1  0.198  0.477  0.750  1.0
  F  F36  1  0.823  0.535  0.566  1.0
  F  F37  1  0.302  0.977  0.250  1.0
  F  F38  1  0.323  0.965  0.934  1.0
  F  F39  1  0.677  0.035  0.434  1.0
  F  F40  1  0.109  0.772  0.250  1.0
  F  F41  1  0.881  0.235  0.431  1.0
  F  F42  1  0.177  0.465  0.066  1.0
  F  F43  1  0.381  0.265  0.431  1.0
  F  F44  1  0.619  0.735  0.931  1.0
  F  F45  1  0.677  0.035  0.066  1.0
  F  F46  1  0.323  0.965  0.566  1.0
  F  F47  1  0.381  0.265  0.069  1.0
[/CIF]
.