The crystal structure described by CsP(OF)2 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 12-coordinate geometry to six equivalent O(1), two equivalent F(2), and four equivalent F(1) atoms. P(1) is bonded in a tetrahedral geometry to two equivalent O(1), one F(1), and one F(2) atom. O(1) is bonded in a single-bond geometry to three equivalent Cs(1) and one P(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to four equivalent Cs(1) and one P(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to two equivalent Cs(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsP(OF)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.865
_cell_length_b   7.968
_cell_length_c   8.240
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   450.722
_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  0.357  0.633  1.0
  Cs  Cs1  1  0.250  0.143  0.133  1.0
  Cs  Cs2  1  0.750  0.643  0.367  1.0
  Cs  Cs3  1  0.750  0.857  0.867  1.0
  P  P4  1  0.250  0.820  0.619  1.0
  P  P5  1  0.250  0.680  0.119  1.0
  P  P6  1  0.750  0.180  0.381  1.0
  P  P7  1  0.750  0.320  0.881  1.0
  O  O8  1  0.062  0.731  0.618  1.0
  O  O9  1  0.438  0.769  0.118  1.0
  O  O10  1  0.562  0.269  0.382  1.0
  O  O11  1  0.938  0.231  0.882  1.0
  O  O12  1  0.938  0.269  0.382  1.0
  O  O13  1  0.562  0.231  0.882  1.0
  O  O14  1  0.438  0.731  0.618  1.0
  O  O15  1  0.062  0.769  0.118  1.0
  F  F16  1  0.250  0.950  0.764  1.0
  F  F17  1  0.250  0.550  0.264  1.0
  F  F18  1  0.750  0.050  0.236  1.0
  F  F19  1  0.750  0.450  0.736  1.0
  F  F20  1  0.250  0.954  0.478  1.0
  F  F21  1  0.250  0.546  0.978  1.0
  F  F22  1  0.750  0.046  0.522  1.0
  F  F23  1  0.750  0.454  0.022  1.0
[/CIF]
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The crystal structure described by CsP(OF)2 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 12-coordinate geometry to six equivalent O(1), two equivalent F(2), and four equivalent F(1) atoms. P(1) is bonded in a tetrahedral geometry to two equivalent O(1), one F(1), and one F(2) atom. O(1) is bonded in a single-bond geometry to three equivalent Cs(1) and one P(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to four equivalent Cs(1) and one P(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to two equivalent Cs(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsP(OF)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.865
_cell_length_b   7.968
_cell_length_c   8.240
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   450.722
_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  0.357  0.633  1.0
  Cs  Cs1  1  0.250  0.143  0.133  1.0
  Cs  Cs2  1  0.750  0.643  0.367  1.0
  Cs  Cs3  1  0.750  0.857  0.867  1.0
  P  P4  1  0.250  0.820  0.619  1.0
  P  P5  1  0.250  0.680  0.119  1.0
  P  P6  1  0.750  0.180  0.381  1.0
  P  P7  1  0.750  0.320  0.881  1.0
  O  O8  1  0.062  0.731  0.618  1.0
  O  O9  1  0.438  0.769  0.118  1.0
  O  O10  1  0.562  0.269  0.382  1.0
  O  O11  1  0.938  0.231  0.882  1.0
  O  O12  1  0.938  0.269  0.382  1.0
  O  O13  1  0.562  0.231  0.882  1.0
  O  O14  1  0.438  0.731  0.618  1.0
  O  O15  1  0.062  0.769  0.118  1.0
  F  F16  1  0.250  0.950  0.764  1.0
  F  F17  1  0.250  0.550  0.264  1.0
  F  F18  1  0.750  0.050  0.236  1.0
  F  F19  1  0.750  0.450  0.736  1.0
  F  F20  1  0.250  0.954  0.478  1.0
  F  F21  1  0.250  0.546  0.978  1.0
  F  F22  1  0.750  0.046  0.522  1.0
  F  F23  1  0.750  0.454  0.022  1.0
[/CIF]
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