The material described by KCF3SO3 crystallizes in the monoclinic P2_1 space group. The structure consists of six trifluoromethane molecules inside a KSO3 framework. In the KSO3 framework, there are three inequivalent K sites. In the first K site, K(1) is bonded in a distorted trigonal bipyramidal geometry to one O(1), one O(3), one O(4), one O(5), and one O(7) atom. In the second K site, K(2) is bonded in a 5-coordinate geometry to one O(2), one O(4), one O(6), one O(7), and one O(8) atom. In the third K site, K(3) is bonded in a 10-coordinate geometry to one O(1), one O(4), one O(5), one O(7), two equivalent O(2), two equivalent O(8), and two equivalent O(9) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted trigonal non-coplanar geometry to one O(4), one O(6), and one O(7) atom. In the second S site, S(2) is bonded in a distorted trigonal non-coplanar geometry to one O(2), one O(8), and one O(9) atom. In the third S site, S(3) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(3), and one O(5) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one K(3), and one S(3) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(2), two equivalent K(3), and one S(2) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one K(1) and one S(3) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one K(1), one K(2), one K(3), and one S(1) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one K(1), one K(3), and one S(3) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one K(2) and one S(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one K(1), one K(2), one K(3), and one S(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one K(2), two equivalent K(3), and one S(2) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to two equivalent K(3) and one S(2) atom. is represented by the CIF card [CIF]
data_KCS(OF)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.075
_cell_length_b   10.984
_cell_length_c   14.742
_cell_angle_alpha   68.839
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   917.326
_cell_formula_units_Z   6
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
  K  K0  1  0.777  0.435  0.664  1.0
  K  K1  1  0.274  0.809  0.014  1.0
  K  K2  1  0.774  0.191  0.986  1.0
  K  K3  1  0.277  0.565  0.336  1.0
  K  K4  1  0.281  0.532  0.842  1.0
  K  K5  1  0.781  0.468  0.158  1.0
  C  C6  1  0.788  0.820  0.282  1.0
  C  C7  1  0.818  0.825  0.805  1.0
  C  C8  1  0.240  0.832  0.534  1.0
  C  C9  1  0.318  0.175  0.195  1.0
  C  C10  1  0.288  0.180  0.718  1.0
  C  C11  1  0.740  0.168  0.466  1.0
  S  S12  1  0.776  0.790  0.165  1.0
  S  S13  1  0.280  0.340  0.099  1.0
  S  S14  1  0.276  0.210  0.835  1.0
  S  S15  1  0.780  0.660  0.901  1.0
  S  S16  1  0.764  0.350  0.416  1.0
  S  S17  1  0.264  0.650  0.584  1.0
  O  O18  1  0.589  0.392  0.343  1.0
  O  O19  1  0.573  0.671  0.949  1.0
  O  O20  1  0.730  0.387  0.500  1.0
  O  O21  1  0.073  0.329  0.051  1.0
  O  O22  1  0.569  0.719  0.172  1.0
  O  O23  1  0.984  0.375  0.373  1.0
  O  O24  1  0.282  0.080  0.911  1.0
  O  O25  1  0.973  0.710  0.170  1.0
  O  O26  1  0.977  0.647  0.961  1.0
  O  O27  1  0.089  0.608  0.657  1.0
  O  O28  1  0.230  0.613  0.500  1.0
  O  O29  1  0.069  0.281  0.828  1.0
  O  O30  1  0.771  0.571  0.848  1.0
  O  O31  1  0.782  0.920  0.089  1.0
  O  O32  1  0.473  0.290  0.830  1.0
  O  O33  1  0.477  0.353  0.039  1.0
  O  O34  1  0.271  0.429  0.152  1.0
  O  O35  1  0.484  0.625  0.627  1.0
  F  F36  1  0.786  0.118  0.396  1.0
  F  F37  1  0.126  0.099  0.714  1.0
  F  F38  1  0.033  0.867  0.501  1.0
  F  F39  1  0.286  0.882  0.604  1.0
  F  F40  1  0.382  0.884  0.459  1.0
  F  F41  1  0.882  0.116  0.541  1.0
  F  F42  1  0.790  0.919  0.845  1.0
  F  F43  1  0.026  0.836  0.770  1.0
  F  F44  1  0.765  0.705  0.358  1.0
  F  F45  1  0.290  0.081  0.155  1.0
  F  F46  1  0.626  0.901  0.286  1.0
  F  F47  1  0.485  0.127  0.710  1.0
  F  F48  1  0.985  0.873  0.290  1.0
  F  F49  1  0.533  0.133  0.499  1.0
  F  F50  1  0.265  0.295  0.642  1.0
  F  F51  1  0.173  0.152  0.268  1.0
  F  F52  1  0.526  0.164  0.230  1.0
  F  F53  1  0.673  0.848  0.732  1.0
[/CIF]
.
The material described by KCF3SO3 crystallizes in the monoclinic P2_1 space group. The structure consists of six trifluoromethane molecules inside a KSO3 framework. In the KSO3 framework, there are three inequivalent K sites. In the first K site, K(1) is bonded in a distorted trigonal bipyramidal geometry to one O(1), one O(3), one O(4), one O(5), and one O(7) atom. In the second K site, K(2) is bonded in a 5-coordinate geometry to one O(2), one O(4), one O(6), one O(7), and one O(8) atom. In the third K site, K(3) is bonded in a 10-coordinate geometry to one O(1), one O(4), one O(5), one O(7), two equivalent O(2), two equivalent O(8), and two equivalent O(9) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted trigonal non-coplanar geometry to one O(4), one O(6), and one O(7) atom. In the second S site, S(2) is bonded in a distorted trigonal non-coplanar geometry to one O(2), one O(8), and one O(9) atom. In the third S site, S(3) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(3), and one O(5) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one K(3), and one S(3) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(2), two equivalent K(3), and one S(2) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one K(1) and one S(3) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one K(1), one K(2), one K(3), and one S(1) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one K(1), one K(3), and one S(3) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one K(2) and one S(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one K(1), one K(2), one K(3), and one S(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one K(2), two equivalent K(3), and one S(2) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to two equivalent K(3) and one S(2) atom. is represented by the CIF card [CIF]
data_KCS(OF)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.075
_cell_length_b   10.984
_cell_length_c   14.742
_cell_angle_alpha   68.839
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   917.326
_cell_formula_units_Z   6
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
  K  K0  1  0.777  0.435  0.664  1.0
  K  K1  1  0.274  0.809  0.014  1.0
  K  K2  1  0.774  0.191  0.986  1.0
  K  K3  1  0.277  0.565  0.336  1.0
  K  K4  1  0.281  0.532  0.842  1.0
  K  K5  1  0.781  0.468  0.158  1.0
  C  C6  1  0.788  0.820  0.282  1.0
  C  C7  1  0.818  0.825  0.805  1.0
  C  C8  1  0.240  0.832  0.534  1.0
  C  C9  1  0.318  0.175  0.195  1.0
  C  C10  1  0.288  0.180  0.718  1.0
  C  C11  1  0.740  0.168  0.466  1.0
  S  S12  1  0.776  0.790  0.165  1.0
  S  S13  1  0.280  0.340  0.099  1.0
  S  S14  1  0.276  0.210  0.835  1.0
  S  S15  1  0.780  0.660  0.901  1.0
  S  S16  1  0.764  0.350  0.416  1.0
  S  S17  1  0.264  0.650  0.584  1.0
  O  O18  1  0.589  0.392  0.343  1.0
  O  O19  1  0.573  0.671  0.949  1.0
  O  O20  1  0.730  0.387  0.500  1.0
  O  O21  1  0.073  0.329  0.051  1.0
  O  O22  1  0.569  0.719  0.172  1.0
  O  O23  1  0.984  0.375  0.373  1.0
  O  O24  1  0.282  0.080  0.911  1.0
  O  O25  1  0.973  0.710  0.170  1.0
  O  O26  1  0.977  0.647  0.961  1.0
  O  O27  1  0.089  0.608  0.657  1.0
  O  O28  1  0.230  0.613  0.500  1.0
  O  O29  1  0.069  0.281  0.828  1.0
  O  O30  1  0.771  0.571  0.848  1.0
  O  O31  1  0.782  0.920  0.089  1.0
  O  O32  1  0.473  0.290  0.830  1.0
  O  O33  1  0.477  0.353  0.039  1.0
  O  O34  1  0.271  0.429  0.152  1.0
  O  O35  1  0.484  0.625  0.627  1.0
  F  F36  1  0.786  0.118  0.396  1.0
  F  F37  1  0.126  0.099  0.714  1.0
  F  F38  1  0.033  0.867  0.501  1.0
  F  F39  1  0.286  0.882  0.604  1.0
  F  F40  1  0.382  0.884  0.459  1.0
  F  F41  1  0.882  0.116  0.541  1.0
  F  F42  1  0.790  0.919  0.845  1.0
  F  F43  1  0.026  0.836  0.770  1.0
  F  F44  1  0.765  0.705  0.358  1.0
  F  F45  1  0.290  0.081  0.155  1.0
  F  F46  1  0.626  0.901  0.286  1.0
  F  F47  1  0.485  0.127  0.710  1.0
  F  F48  1  0.985  0.873  0.290  1.0
  F  F49  1  0.533  0.133  0.499  1.0
  F  F50  1  0.265  0.295  0.642  1.0
  F  F51  1  0.173  0.152  0.268  1.0
  F  F52  1  0.526  0.164  0.230  1.0
  F  F53  1  0.673  0.848  0.732  1.0
[/CIF]
.