The structure described by POCl3 is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of four phosphorus oxychloride molecules. P(1) is bonded in a tetrahedral geometry to one O(1); one Cl(2); and two equivalent Cl(1,3) atoms. 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(2) is bonded in a single-bond geometry to one P(1) atom. In the second Cl site, Cl(1,3) is bonded in a single-bond geometry to one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_PCl3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.847
_cell_length_b   9.431
_cell_length_c   9.213
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   507.996
_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  0.871  0.757  0.817  1.0
  P  P1  1  0.129  0.257  0.183  1.0
  P  P2  1  0.629  0.757  0.317  1.0
  P  P3  1  0.371  0.257  0.683  1.0
  Cl  Cl4  1  0.169  0.424  0.648  1.0
  Cl  Cl5  1  0.831  0.924  0.352  1.0
  Cl  Cl6  1  0.331  0.424  0.148  1.0
  Cl  Cl7  1  0.669  0.924  0.852  1.0
  Cl  Cl8  1  0.088  0.757  0.983  1.0
  Cl  Cl9  1  0.912  0.257  0.017  1.0
  Cl  Cl10  1  0.412  0.757  0.483  1.0
  Cl  Cl11  1  0.588  0.257  0.517  1.0
  Cl  Cl12  1  0.672  0.589  0.849  1.0
  Cl  Cl13  1  0.328  0.089  0.151  1.0
  Cl  Cl14  1  0.828  0.589  0.349  1.0
  Cl  Cl15  1  0.172  0.089  0.651  1.0
  O  O16  1  0.983  0.758  0.675  1.0
  O  O17  1  0.017  0.258  0.325  1.0
  O  O18  1  0.517  0.758  0.175  1.0
  O  O19  1  0.483  0.258  0.825  1.0
[/CIF]
.
The structure described by POCl3 is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of four phosphorus oxychloride molecules. P(1) is bonded in a tetrahedral geometry to one O(1); one Cl(2); and two equivalent Cl(1,3) atoms. 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(2) is bonded in a single-bond geometry to one P(1) atom. In the second Cl site, Cl(1,3) is bonded in a single-bond geometry to one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_PCl3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.847
_cell_length_b   9.431
_cell_length_c   9.213
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   507.996
_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  0.871  0.757  0.817  1.0
  P  P1  1  0.129  0.257  0.183  1.0
  P  P2  1  0.629  0.757  0.317  1.0
  P  P3  1  0.371  0.257  0.683  1.0
  Cl  Cl4  1  0.169  0.424  0.648  1.0
  Cl  Cl5  1  0.831  0.924  0.352  1.0
  Cl  Cl6  1  0.331  0.424  0.148  1.0
  Cl  Cl7  1  0.669  0.924  0.852  1.0
  Cl  Cl8  1  0.088  0.757  0.983  1.0
  Cl  Cl9  1  0.912  0.257  0.017  1.0
  Cl  Cl10  1  0.412  0.757  0.483  1.0
  Cl  Cl11  1  0.588  0.257  0.517  1.0
  Cl  Cl12  1  0.672  0.589  0.849  1.0
  Cl  Cl13  1  0.328  0.089  0.151  1.0
  Cl  Cl14  1  0.828  0.589  0.349  1.0
  Cl  Cl15  1  0.172  0.089  0.651  1.0
  O  O16  1  0.983  0.758  0.675  1.0
  O  O17  1  0.017  0.258  0.325  1.0
  O  O18  1  0.517  0.758  0.175  1.0
  O  O19  1  0.483  0.258  0.825  1.0
[/CIF]
.