The material 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(1), one Cl(2), and one Cl(3) atom. O(1) is bonded in a single-bond geometry to one P(1) atom. There are three 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. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one P(1) atom. is represented by the CIF file [CIF]
data_PCl3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.969
_cell_length_b   9.505
_cell_length_c   12.104
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   686.748
_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  0.868  0.759  0.179  1.0
  P  P1  1  0.368  0.259  0.321  1.0
  P  P2  1  0.868  0.741  0.679  1.0
  P  P3  1  0.368  0.241  0.821  1.0
  Cl  Cl4  1  0.096  0.750  0.057  1.0
  Cl  Cl5  1  0.673  0.923  0.137  1.0
  Cl  Cl6  1  0.675  0.589  0.154  1.0
  Cl  Cl7  1  0.175  0.089  0.346  1.0
  Cl  Cl8  1  0.173  0.423  0.363  1.0
  Cl  Cl9  1  0.596  0.250  0.443  1.0
  Cl  Cl10  1  0.096  0.750  0.557  1.0
  Cl  Cl11  1  0.673  0.577  0.637  1.0
  Cl  Cl12  1  0.675  0.911  0.654  1.0
  Cl  Cl13  1  0.175  0.411  0.846  1.0
  Cl  Cl14  1  0.173  0.077  0.863  1.0
  Cl  Cl15  1  0.596  0.250  0.943  1.0
  O  O16  1  0.463  0.269  0.209  1.0
  O  O17  1  0.963  0.769  0.291  1.0
  O  O18  1  0.463  0.231  0.709  1.0
  O  O19  1  0.963  0.731  0.791  1.0
[/CIF]
.
The material 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(1), one Cl(2), and one Cl(3) atom. O(1) is bonded in a single-bond geometry to one P(1) atom. There are three 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. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one P(1) atom. is represented by the CIF file [CIF]
data_PCl3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.969
_cell_length_b   9.505
_cell_length_c   12.104
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   686.748
_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  0.868  0.759  0.179  1.0
  P  P1  1  0.368  0.259  0.321  1.0
  P  P2  1  0.868  0.741  0.679  1.0
  P  P3  1  0.368  0.241  0.821  1.0
  Cl  Cl4  1  0.096  0.750  0.057  1.0
  Cl  Cl5  1  0.673  0.923  0.137  1.0
  Cl  Cl6  1  0.675  0.589  0.154  1.0
  Cl  Cl7  1  0.175  0.089  0.346  1.0
  Cl  Cl8  1  0.173  0.423  0.363  1.0
  Cl  Cl9  1  0.596  0.250  0.443  1.0
  Cl  Cl10  1  0.096  0.750  0.557  1.0
  Cl  Cl11  1  0.673  0.577  0.637  1.0
  Cl  Cl12  1  0.675  0.911  0.654  1.0
  Cl  Cl13  1  0.175  0.411  0.846  1.0
  Cl  Cl14  1  0.173  0.077  0.863  1.0
  Cl  Cl15  1  0.596  0.250  0.943  1.0
  O  O16  1  0.463  0.269  0.209  1.0
  O  O17  1  0.963  0.769  0.291  1.0
  O  O18  1  0.463  0.231  0.709  1.0
  O  O19  1  0.963  0.731  0.791  1.0
[/CIF]
.