The crystal structure described by K3H3S2(O4F)2 crystallizes in the monoclinic C2 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), one O(5), one O(7), one O(8), and one F(2) atom. In the second K site, K(2) is bonded in a 5-coordinate geometry to one O(3), 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 8-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(6), and two equivalent F(1) atoms. In the fourth K site, K(4) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(8), and two equivalent F(2) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(6) and one F(2) atom. In the second H site, H(2) is bonded in a linear geometry to one O(2) and one F(2) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one S(1) and one O(3) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted tetrahedral geometry to one H(3), one O(1), one O(2), and one O(4) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one O(5), one O(6), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one K(3), one K(4), and one S(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(1), one K(4), one H(2), and one S(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one K(2), one K(3), one H(3), and one F(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one K(1), one K(2), and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one K(1), one S(2), and one O(8) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one K(2), one K(3), one H(1), and one S(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one K(1), one K(2), and one S(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one K(1), one K(2), one K(4), and one O(5) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one K(3) and one O(3) atom. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to one K(1), one K(4), one H(1), and one H(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3H3S2(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.034
_cell_length_b   10.034
_cell_length_c   10.421
_cell_angle_alpha   72.019
_cell_angle_beta   72.019
_cell_angle_gamma   38.386
_symmetry_Int_Tables_number   1
_cell_volume   615.683
_cell_formula_units_Z   2
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  0.616  0.686  0.453  1.0
  K  K1  1  0.314  0.384  0.547  1.0
  K  K2  1  0.724  0.779  0.813  1.0
  K  K3  1  0.221  0.276  0.187  1.0
  K  K4  1  0.867  0.133  0.000  1.0
  K  K5  1  0.977  0.023  0.500  1.0
  H  H6  1  0.612  0.190  0.280  1.0
  H  H7  1  0.810  0.388  0.720  1.0
  H  H8  1  0.485  0.540  0.307  1.0
  H  H9  1  0.460  0.515  0.693  1.0
  H  H10  1  0.327  0.514  0.990  1.0
  H  H11  1  0.486  0.673  0.010  1.0
  S  S12  1  0.369  0.823  0.160  1.0
  S  S13  1  0.177  0.631  0.840  1.0
  S  S14  1  0.859  0.846  0.333  1.0
  S  S15  1  0.154  0.141  0.667  1.0
  O  O16  1  0.130  0.026  0.172  1.0
  O  O17  1  0.974  0.870  0.828  1.0
  O  O18  1  0.415  0.686  0.314  1.0
  O  O19  1  0.314  0.585  0.686  1.0
  O  O20  1  0.559  0.612  0.917  1.0
  O  O21  1  0.388  0.441  0.083  1.0
  O  O22  1  0.488  0.865  0.144  1.0
  O  O23  1  0.135  0.512  0.856  1.0
  O  O24  1  0.731  0.916  0.487  1.0
  O  O25  1  0.084  0.269  0.513  1.0
  O  O26  1  0.650  0.066  0.255  1.0
  O  O27  1  0.934  0.350  0.745  1.0
  O  O28  1  0.901  0.677  0.310  1.0
  O  O29  1  0.323  0.099  0.690  1.0
  O  O30  1  0.910  0.785  0.570  1.0
  O  O31  1  0.215  0.090  0.430  1.0
  F  F32  1  0.242  0.638  0.146  1.0
  F  F33  1  0.362  0.758  0.854  1.0
  F  F34  1  0.593  0.319  0.326  1.0
  F  F35  1  0.681  0.407  0.674  1.0
[/CIF]
.
The crystal structure described by K3H3S2(O4F)2 crystallizes in the monoclinic C2 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), one O(5), one O(7), one O(8), and one F(2) atom. In the second K site, K(2) is bonded in a 5-coordinate geometry to one O(3), 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 8-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(6), and two equivalent F(1) atoms. In the fourth K site, K(4) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(8), and two equivalent F(2) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(6) and one F(2) atom. In the second H site, H(2) is bonded in a linear geometry to one O(2) and one F(2) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one S(1) and one O(3) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted tetrahedral geometry to one H(3), one O(1), one O(2), and one O(4) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one O(5), one O(6), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one K(3), one K(4), and one S(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(1), one K(4), one H(2), and one S(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one K(2), one K(3), one H(3), and one F(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one K(1), one K(2), and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one K(1), one S(2), and one O(8) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one K(2), one K(3), one H(1), and one S(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one K(1), one K(2), and one S(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one K(1), one K(2), one K(4), and one O(5) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one K(3) and one O(3) atom. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to one K(1), one K(4), one H(1), and one H(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3H3S2(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.034
_cell_length_b   10.034
_cell_length_c   10.421
_cell_angle_alpha   72.019
_cell_angle_beta   72.019
_cell_angle_gamma   38.386
_symmetry_Int_Tables_number   1
_cell_volume   615.683
_cell_formula_units_Z   2
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  0.616  0.686  0.453  1.0
  K  K1  1  0.314  0.384  0.547  1.0
  K  K2  1  0.724  0.779  0.813  1.0
  K  K3  1  0.221  0.276  0.187  1.0
  K  K4  1  0.867  0.133  0.000  1.0
  K  K5  1  0.977  0.023  0.500  1.0
  H  H6  1  0.612  0.190  0.280  1.0
  H  H7  1  0.810  0.388  0.720  1.0
  H  H8  1  0.485  0.540  0.307  1.0
  H  H9  1  0.460  0.515  0.693  1.0
  H  H10  1  0.327  0.514  0.990  1.0
  H  H11  1  0.486  0.673  0.010  1.0
  S  S12  1  0.369  0.823  0.160  1.0
  S  S13  1  0.177  0.631  0.840  1.0
  S  S14  1  0.859  0.846  0.333  1.0
  S  S15  1  0.154  0.141  0.667  1.0
  O  O16  1  0.130  0.026  0.172  1.0
  O  O17  1  0.974  0.870  0.828  1.0
  O  O18  1  0.415  0.686  0.314  1.0
  O  O19  1  0.314  0.585  0.686  1.0
  O  O20  1  0.559  0.612  0.917  1.0
  O  O21  1  0.388  0.441  0.083  1.0
  O  O22  1  0.488  0.865  0.144  1.0
  O  O23  1  0.135  0.512  0.856  1.0
  O  O24  1  0.731  0.916  0.487  1.0
  O  O25  1  0.084  0.269  0.513  1.0
  O  O26  1  0.650  0.066  0.255  1.0
  O  O27  1  0.934  0.350  0.745  1.0
  O  O28  1  0.901  0.677  0.310  1.0
  O  O29  1  0.323  0.099  0.690  1.0
  O  O30  1  0.910  0.785  0.570  1.0
  O  O31  1  0.215  0.090  0.430  1.0
  F  F32  1  0.242  0.638  0.146  1.0
  F  F33  1  0.362  0.758  0.854  1.0
  F  F34  1  0.593  0.319  0.326  1.0
  F  F35  1  0.681  0.407  0.674  1.0
[/CIF]
.