The crystal structure described by PNF2 is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two PNF2 clusters. There are two inequivalent P sites. In the first P site, P(1) 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 second P site, P(2) is bonded to one N(1), one N(2), one F(1), 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 150 degrees geometry to one P(1) and one P(2) atom. In the second N site, N(2) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one P(2) 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(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   13.632
_cell_length_b   4.859
_cell_length_c   7.169
_cell_angle_alpha   71.508
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   450.387
_cell_formula_units_Z   8
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  0.618  0.921  0.696  1.0
  P  P1  1  0.925  0.342  0.802  1.0
  P  P2  1  0.382  0.079  0.304  1.0
  P  P3  1  0.882  0.921  0.196  1.0
  P  P4  1  0.425  0.658  0.698  1.0
  P  P5  1  0.075  0.658  0.198  1.0
  P  P6  1  0.575  0.342  0.302  1.0
  P  P7  1  0.118  0.079  0.804  1.0
  N  N8  1  0.381  0.818  0.495  1.0
  N  N9  1  0.881  0.182  0.005  1.0
  N  N10  1  0.972  0.719  0.263  1.0
  N  N11  1  0.119  0.818  0.995  1.0
  N  N12  1  0.619  0.182  0.505  1.0
  N  N13  1  0.028  0.281  0.737  1.0
  N  N14  1  0.528  0.719  0.763  1.0
  N  N15  1  0.472  0.281  0.237  1.0
  F  F16  1  0.421  0.329  0.723  1.0
  F  F17  1  0.079  0.329  0.223  1.0
  F  F18  1  0.292  0.271  0.304  1.0
  F  F19  1  0.792  0.729  0.196  1.0
  F  F20  1  0.149  0.666  0.358  1.0
  F  F21  1  0.208  0.271  0.804  1.0
  F  F22  1  0.579  0.671  0.277  1.0
  F  F23  1  0.647  0.033  0.866  1.0
  F  F24  1  0.353  0.967  0.134  1.0
  F  F25  1  0.649  0.334  0.142  1.0
  F  F26  1  0.708  0.729  0.696  1.0
  F  F27  1  0.853  0.033  0.366  1.0
  F  F28  1  0.147  0.967  0.634  1.0
  F  F29  1  0.351  0.666  0.858  1.0
  F  F30  1  0.851  0.334  0.642  1.0
  F  F31  1  0.921  0.671  0.777  1.0
[/CIF]
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The crystal structure described by PNF2 is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two PNF2 clusters. There are two inequivalent P sites. In the first P site, P(1) 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 second P site, P(2) is bonded to one N(1), one N(2), one F(1), 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 150 degrees geometry to one P(1) and one P(2) atom. In the second N site, N(2) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one P(2) 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(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   13.632
_cell_length_b   4.859
_cell_length_c   7.169
_cell_angle_alpha   71.508
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   450.387
_cell_formula_units_Z   8
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  0.618  0.921  0.696  1.0
  P  P1  1  0.925  0.342  0.802  1.0
  P  P2  1  0.382  0.079  0.304  1.0
  P  P3  1  0.882  0.921  0.196  1.0
  P  P4  1  0.425  0.658  0.698  1.0
  P  P5  1  0.075  0.658  0.198  1.0
  P  P6  1  0.575  0.342  0.302  1.0
  P  P7  1  0.118  0.079  0.804  1.0
  N  N8  1  0.381  0.818  0.495  1.0
  N  N9  1  0.881  0.182  0.005  1.0
  N  N10  1  0.972  0.719  0.263  1.0
  N  N11  1  0.119  0.818  0.995  1.0
  N  N12  1  0.619  0.182  0.505  1.0
  N  N13  1  0.028  0.281  0.737  1.0
  N  N14  1  0.528  0.719  0.763  1.0
  N  N15  1  0.472  0.281  0.237  1.0
  F  F16  1  0.421  0.329  0.723  1.0
  F  F17  1  0.079  0.329  0.223  1.0
  F  F18  1  0.292  0.271  0.304  1.0
  F  F19  1  0.792  0.729  0.196  1.0
  F  F20  1  0.149  0.666  0.358  1.0
  F  F21  1  0.208  0.271  0.804  1.0
  F  F22  1  0.579  0.671  0.277  1.0
  F  F23  1  0.647  0.033  0.866  1.0
  F  F24  1  0.353  0.967  0.134  1.0
  F  F25  1  0.649  0.334  0.142  1.0
  F  F26  1  0.708  0.729  0.696  1.0
  F  F27  1  0.853  0.033  0.366  1.0
  F  F28  1  0.147  0.967  0.634  1.0
  F  F29  1  0.351  0.666  0.858  1.0
  F  F30  1  0.851  0.334  0.642  1.0
  F  F31  1  0.921  0.671  0.777  1.0
[/CIF]
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