The compound described by POCl2F is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four phosphoric dichloride fluoride molecules. P(1) is bonded in a distorted tetrahedral geometry to one O(1), one Cl(1), one Cl(2), and one F(1) atom. O(1) is bonded in a single-bond geometry to one P(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one P(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one P(1) atom. F(1) is bonded in a single-bond geometry to one P(1) atom. is represented by the CIF card [CIF]
data_PCl2OF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.761
_cell_length_b   9.779
_cell_length_c   10.031
_cell_angle_alpha   63.940
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   507.648
_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  0.369  0.451  0.226  1.0
  P  P1  1  0.631  0.549  0.774  1.0
  P  P2  1  0.131  0.951  0.226  1.0
  P  P3  1  0.869  0.049  0.774  1.0
  Cl  Cl4  1  0.587  0.619  0.197  1.0
  Cl  Cl5  1  0.703  0.098  0.584  1.0
  Cl  Cl6  1  0.913  0.119  0.197  1.0
  Cl  Cl7  1  0.413  0.381  0.803  1.0
  Cl  Cl8  1  0.087  0.881  0.803  1.0
  Cl  Cl9  1  0.203  0.402  0.416  1.0
  Cl  Cl10  1  0.297  0.902  0.416  1.0
  Cl  Cl11  1  0.797  0.598  0.584  1.0
  O  O12  1  0.029  0.819  0.214  1.0
  O  O13  1  0.529  0.681  0.786  1.0
  O  O14  1  0.471  0.319  0.214  1.0
  O  O15  1  0.971  0.181  0.786  1.0
  F  F16  1  0.174  0.533  0.108  1.0
  F  F17  1  0.674  0.967  0.892  1.0
  F  F18  1  0.826  0.467  0.892  1.0
  F  F19  1  0.326  0.033  0.108  1.0
[/CIF]
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The compound described by POCl2F is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four phosphoric dichloride fluoride molecules. P(1) is bonded in a distorted tetrahedral geometry to one O(1), one Cl(1), one Cl(2), and one F(1) atom. O(1) is bonded in a single-bond geometry to one P(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one P(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one P(1) atom. F(1) is bonded in a single-bond geometry to one P(1) atom. is represented by the CIF card [CIF]
data_PCl2OF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.761
_cell_length_b   9.779
_cell_length_c   10.031
_cell_angle_alpha   63.940
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   507.648
_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  0.369  0.451  0.226  1.0
  P  P1  1  0.631  0.549  0.774  1.0
  P  P2  1  0.131  0.951  0.226  1.0
  P  P3  1  0.869  0.049  0.774  1.0
  Cl  Cl4  1  0.587  0.619  0.197  1.0
  Cl  Cl5  1  0.703  0.098  0.584  1.0
  Cl  Cl6  1  0.913  0.119  0.197  1.0
  Cl  Cl7  1  0.413  0.381  0.803  1.0
  Cl  Cl8  1  0.087  0.881  0.803  1.0
  Cl  Cl9  1  0.203  0.402  0.416  1.0
  Cl  Cl10  1  0.297  0.902  0.416  1.0
  Cl  Cl11  1  0.797  0.598  0.584  1.0
  O  O12  1  0.029  0.819  0.214  1.0
  O  O13  1  0.529  0.681  0.786  1.0
  O  O14  1  0.471  0.319  0.214  1.0
  O  O15  1  0.971  0.181  0.786  1.0
  F  F16  1  0.174  0.533  0.108  1.0
  F  F17  1  0.674  0.967  0.892  1.0
  F  F18  1  0.826  0.467  0.892  1.0
  F  F19  1  0.326  0.033  0.108  1.0
[/CIF]
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