The compound described by Cs2PO3F crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 9-coordinate geometry to two equivalent O(1), four equivalent O(2), and three equivalent F(1) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to three equivalent O(1), six equivalent O(2), and one F(1) atom. P(1) is bonded in a tetrahedral geometry to one O(1), two equivalent O(2), and one F(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to two equivalent Cs(1), three equivalent Cs(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Cs(1), three equivalent Cs(2), and one P(1) atom. F(1) is bonded in a distorted single-bond geometry to one Cs(2), three equivalent Cs(1), and one P(1) atom. is represented by the CIF card [CIF]
data_Cs2PO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.472
_cell_length_b   8.505
_cell_length_c   11.207
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   616.934
_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
  Cs  Cs0  1  0.250  0.001  0.286  1.0
  Cs  Cs1  1  0.750  0.999  0.714  1.0
  Cs  Cs2  1  0.250  0.501  0.214  1.0
  Cs  Cs3  1  0.750  0.499  0.786  1.0
  Cs  Cs4  1  0.250  0.175  0.918  1.0
  Cs  Cs5  1  0.750  0.825  0.082  1.0
  Cs  Cs6  1  0.250  0.675  0.582  1.0
  Cs  Cs7  1  0.750  0.325  0.418  1.0
  P  P8  1  0.250  0.248  0.583  1.0
  P  P9  1  0.750  0.752  0.417  1.0
  P  P10  1  0.250  0.748  0.917  1.0
  P  P11  1  0.750  0.252  0.083  1.0
  O  O12  1  0.750  0.701  0.547  1.0
  O  O13  1  0.250  0.299  0.453  1.0
  O  O14  1  0.250  0.799  0.047  1.0
  O  O15  1  0.750  0.201  0.953  1.0
  O  O16  1  0.551  0.719  0.349  1.0
  O  O17  1  0.051  0.281  0.651  1.0
  O  O18  1  0.949  0.219  0.151  1.0
  O  O19  1  0.449  0.781  0.849  1.0
  O  O20  1  0.449  0.281  0.651  1.0
  O  O21  1  0.949  0.719  0.349  1.0
  O  O22  1  0.051  0.781  0.849  1.0
  O  O23  1  0.551  0.219  0.151  1.0
  F  F24  1  0.750  0.450  0.074  1.0
  F  F25  1  0.250  0.550  0.926  1.0
  F  F26  1  0.250  0.050  0.574  1.0
  F  F27  1  0.750  0.950  0.426  1.0
[/CIF]
.
The compound described by Cs2PO3F crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 9-coordinate geometry to two equivalent O(1), four equivalent O(2), and three equivalent F(1) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to three equivalent O(1), six equivalent O(2), and one F(1) atom. P(1) is bonded in a tetrahedral geometry to one O(1), two equivalent O(2), and one F(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to two equivalent Cs(1), three equivalent Cs(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Cs(1), three equivalent Cs(2), and one P(1) atom. F(1) is bonded in a distorted single-bond geometry to one Cs(2), three equivalent Cs(1), and one P(1) atom. is represented by the CIF card [CIF]
data_Cs2PO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.472
_cell_length_b   8.505
_cell_length_c   11.207
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   616.934
_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
  Cs  Cs0  1  0.250  0.001  0.286  1.0
  Cs  Cs1  1  0.750  0.999  0.714  1.0
  Cs  Cs2  1  0.250  0.501  0.214  1.0
  Cs  Cs3  1  0.750  0.499  0.786  1.0
  Cs  Cs4  1  0.250  0.175  0.918  1.0
  Cs  Cs5  1  0.750  0.825  0.082  1.0
  Cs  Cs6  1  0.250  0.675  0.582  1.0
  Cs  Cs7  1  0.750  0.325  0.418  1.0
  P  P8  1  0.250  0.248  0.583  1.0
  P  P9  1  0.750  0.752  0.417  1.0
  P  P10  1  0.250  0.748  0.917  1.0
  P  P11  1  0.750  0.252  0.083  1.0
  O  O12  1  0.750  0.701  0.547  1.0
  O  O13  1  0.250  0.299  0.453  1.0
  O  O14  1  0.250  0.799  0.047  1.0
  O  O15  1  0.750  0.201  0.953  1.0
  O  O16  1  0.551  0.719  0.349  1.0
  O  O17  1  0.051  0.281  0.651  1.0
  O  O18  1  0.949  0.219  0.151  1.0
  O  O19  1  0.449  0.781  0.849  1.0
  O  O20  1  0.449  0.281  0.651  1.0
  O  O21  1  0.949  0.719  0.349  1.0
  O  O22  1  0.051  0.781  0.849  1.0
  O  O23  1  0.551  0.219  0.151  1.0
  F  F24  1  0.750  0.450  0.074  1.0
  F  F25  1  0.250  0.550  0.926  1.0
  F  F26  1  0.250  0.050  0.574  1.0
  F  F27  1  0.750  0.950  0.426  1.0
[/CIF]
.