The material described by PNH3F5 is beta Np structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four azane;pentafluoro-lambda5-phosphane molecules. P(1) is bonded in an octahedral geometry to one N(1), one F(1), one F(2), one F(3), one F(4), and one F(5) atom. N(1) is bonded in a distorted trigonal non-coplanar geometry to one P(1); one H(3); and two equivalent H(1,2) atoms. There are two inequivalent H sites. In the first H site, H(1,2) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(3) is bonded in a single-bond geometry to one N(1) atom. There are five 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(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one P(1) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one P(1) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one P(1) atom. is represented by the CIF file [CIF]
data_PH3NF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.399
_cell_length_b   4.867
_cell_length_c   9.837
_cell_angle_alpha   61.700
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   396.164
_cell_formula_units_Z   4
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  0.389  0.874  0.749  1.0
  P  P1  1  0.889  0.127  0.751  1.0
  P  P2  1  0.111  0.874  0.249  1.0
  P  P3  1  0.611  0.127  0.251  1.0
  H  H4  1  0.342  0.366  0.969  1.0
  H  H5  1  0.227  0.629  0.967  1.0
  H  H6  1  0.204  0.475  0.849  1.0
  H  H7  1  0.704  0.525  0.651  1.0
  H  H8  1  0.842  0.634  0.531  1.0
  H  H9  1  0.727  0.371  0.533  1.0
  H  H10  1  0.273  0.629  0.467  1.0
  H  H11  1  0.158  0.366  0.469  1.0
  H  H12  1  0.296  0.475  0.349  1.0
  H  H13  1  0.796  0.525  0.151  1.0
  H  H14  1  0.773  0.371  0.033  1.0
  H  H15  1  0.658  0.634  0.031  1.0
  N  N16  1  0.279  0.552  0.899  1.0
  N  N17  1  0.779  0.448  0.601  1.0
  N  N18  1  0.221  0.552  0.399  1.0
  N  N19  1  0.721  0.448  0.101  1.0
  F  F20  1  0.789  0.141  0.885  1.0
  F  F21  1  0.480  0.876  0.890  1.0
  F  F22  1  0.982  0.847  0.880  1.0
  F  F23  1  0.276  0.122  0.757  1.0
  F  F24  1  0.993  0.392  0.752  1.0
  F  F25  1  0.493  0.608  0.748  1.0
  F  F26  1  0.776  0.878  0.743  1.0
  F  F27  1  0.289  0.859  0.615  1.0
  F  F28  1  0.482  0.153  0.620  1.0
  F  F29  1  0.980  0.124  0.610  1.0
  F  F30  1  0.020  0.876  0.390  1.0
  F  F31  1  0.518  0.847  0.380  1.0
  F  F32  1  0.711  0.141  0.385  1.0
  F  F33  1  0.224  0.122  0.257  1.0
  F  F34  1  0.507  0.392  0.252  1.0
  F  F35  1  0.007  0.608  0.248  1.0
  F  F36  1  0.724  0.878  0.243  1.0
  F  F37  1  0.018  0.153  0.120  1.0
  F  F38  1  0.520  0.124  0.110  1.0
  F  F39  1  0.211  0.859  0.115  1.0
[/CIF]
.
The material described by PNH3F5 is beta Np structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four azane;pentafluoro-lambda5-phosphane molecules. P(1) is bonded in an octahedral geometry to one N(1), one F(1), one F(2), one F(3), one F(4), and one F(5) atom. N(1) is bonded in a distorted trigonal non-coplanar geometry to one P(1); one H(3); and two equivalent H(1,2) atoms. There are two inequivalent H sites. In the first H site, H(1,2) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(3) is bonded in a single-bond geometry to one N(1) atom. There are five 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(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one P(1) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one P(1) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one P(1) atom. is represented by the CIF file [CIF]
data_PH3NF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.399
_cell_length_b   4.867
_cell_length_c   9.837
_cell_angle_alpha   61.700
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   396.164
_cell_formula_units_Z   4
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  0.389  0.874  0.749  1.0
  P  P1  1  0.889  0.127  0.751  1.0
  P  P2  1  0.111  0.874  0.249  1.0
  P  P3  1  0.611  0.127  0.251  1.0
  H  H4  1  0.342  0.366  0.969  1.0
  H  H5  1  0.227  0.629  0.967  1.0
  H  H6  1  0.204  0.475  0.849  1.0
  H  H7  1  0.704  0.525  0.651  1.0
  H  H8  1  0.842  0.634  0.531  1.0
  H  H9  1  0.727  0.371  0.533  1.0
  H  H10  1  0.273  0.629  0.467  1.0
  H  H11  1  0.158  0.366  0.469  1.0
  H  H12  1  0.296  0.475  0.349  1.0
  H  H13  1  0.796  0.525  0.151  1.0
  H  H14  1  0.773  0.371  0.033  1.0
  H  H15  1  0.658  0.634  0.031  1.0
  N  N16  1  0.279  0.552  0.899  1.0
  N  N17  1  0.779  0.448  0.601  1.0
  N  N18  1  0.221  0.552  0.399  1.0
  N  N19  1  0.721  0.448  0.101  1.0
  F  F20  1  0.789  0.141  0.885  1.0
  F  F21  1  0.480  0.876  0.890  1.0
  F  F22  1  0.982  0.847  0.880  1.0
  F  F23  1  0.276  0.122  0.757  1.0
  F  F24  1  0.993  0.392  0.752  1.0
  F  F25  1  0.493  0.608  0.748  1.0
  F  F26  1  0.776  0.878  0.743  1.0
  F  F27  1  0.289  0.859  0.615  1.0
  F  F28  1  0.482  0.153  0.620  1.0
  F  F29  1  0.980  0.124  0.610  1.0
  F  F30  1  0.020  0.876  0.390  1.0
  F  F31  1  0.518  0.847  0.380  1.0
  F  F32  1  0.711  0.141  0.385  1.0
  F  F33  1  0.224  0.122  0.257  1.0
  F  F34  1  0.507  0.392  0.252  1.0
  F  F35  1  0.007  0.608  0.248  1.0
  F  F36  1  0.724  0.878  0.243  1.0
  F  F37  1  0.018  0.153  0.120  1.0
  F  F38  1  0.520  0.124  0.110  1.0
  F  F39  1  0.211  0.859  0.115  1.0
[/CIF]
.