The crystal structure described by CsC(OF)2 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 10-coordinate geometry to six equivalent O(1), one F(1), and three equivalent F(2) atoms. C(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 C(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Cs(1) and one C(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to three equivalent Cs(1) and one C(1) atom. is represented by the CIF file [CIF]
data_CsC(OF)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.910
_cell_length_b   7.951
_cell_length_c   9.630
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   452.514
_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  0.663  0.182  1.0
  Cs  Cs1  1  0.750  0.337  0.818  1.0
  Cs  Cs2  1  0.750  0.163  0.318  1.0
  Cs  Cs3  1  0.250  0.837  0.682  1.0
  C  C4  1  0.250  0.202  0.065  1.0
  C  C5  1  0.750  0.798  0.935  1.0
  C  C6  1  0.750  0.702  0.435  1.0
  C  C7  1  0.250  0.298  0.565  1.0
  O  O8  1  0.071  0.297  0.079  1.0
  O  O9  1  0.929  0.703  0.921  1.0
  O  O10  1  0.929  0.797  0.421  1.0
  O  O11  1  0.571  0.703  0.921  1.0
  O  O12  1  0.071  0.203  0.579  1.0
  O  O13  1  0.429  0.297  0.079  1.0
  O  O14  1  0.429  0.203  0.579  1.0
  O  O15  1  0.571  0.797  0.421  1.0
  F  F16  1  0.250  0.390  0.435  1.0
  F  F17  1  0.750  0.610  0.565  1.0
  F  F18  1  0.750  0.890  0.065  1.0
  F  F19  1  0.250  0.110  0.935  1.0
  F  F20  1  0.250  0.061  0.164  1.0
  F  F21  1  0.750  0.939  0.836  1.0
  F  F22  1  0.750  0.561  0.336  1.0
  F  F23  1  0.250  0.439  0.664  1.0
[/CIF]
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The crystal structure described by CsC(OF)2 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 10-coordinate geometry to six equivalent O(1), one F(1), and three equivalent F(2) atoms. C(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 C(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Cs(1) and one C(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to three equivalent Cs(1) and one C(1) atom. is represented by the CIF file [CIF]
data_CsC(OF)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.910
_cell_length_b   7.951
_cell_length_c   9.630
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   452.514
_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  0.663  0.182  1.0
  Cs  Cs1  1  0.750  0.337  0.818  1.0
  Cs  Cs2  1  0.750  0.163  0.318  1.0
  Cs  Cs3  1  0.250  0.837  0.682  1.0
  C  C4  1  0.250  0.202  0.065  1.0
  C  C5  1  0.750  0.798  0.935  1.0
  C  C6  1  0.750  0.702  0.435  1.0
  C  C7  1  0.250  0.298  0.565  1.0
  O  O8  1  0.071  0.297  0.079  1.0
  O  O9  1  0.929  0.703  0.921  1.0
  O  O10  1  0.929  0.797  0.421  1.0
  O  O11  1  0.571  0.703  0.921  1.0
  O  O12  1  0.071  0.203  0.579  1.0
  O  O13  1  0.429  0.297  0.079  1.0
  O  O14  1  0.429  0.203  0.579  1.0
  O  O15  1  0.571  0.797  0.421  1.0
  F  F16  1  0.250  0.390  0.435  1.0
  F  F17  1  0.750  0.610  0.565  1.0
  F  F18  1  0.750  0.890  0.065  1.0
  F  F19  1  0.250  0.110  0.935  1.0
  F  F20  1  0.250  0.061  0.164  1.0
  F  F21  1  0.750  0.939  0.836  1.0
  F  F22  1  0.750  0.561  0.336  1.0
  F  F23  1  0.250  0.439  0.664  1.0
[/CIF]
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