The material described by KH3SO6 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 10-coordinate geometry to one O(2), one O(6), two equivalent O(1), three equivalent O(4), and three equivalent O(5) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one O(1) and one O(6) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(6) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(6) atom. S(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(4), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to two equivalent K(1), one H(1), and one O(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(1), one S(1), and one O(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one S(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to three equivalent K(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to three equivalent K(1) and one S(1) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one K(1), one H(1), one H(2), and one H(3) atom. is represented by the CIF card [CIF]
data_KH3SO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.022
_cell_length_b   10.022
_cell_length_c   7.566
_cell_angle_alpha   89.015
_cell_angle_beta   89.015
_cell_angle_gamma   45.492
_symmetry_Int_Tables_number   1
_cell_volume   541.787
_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
  K  K0  1  0.802  0.559  0.623  1.0
  K  K1  1  0.441  0.198  0.877  1.0
  K  K2  1  0.198  0.441  0.377  1.0
  K  K3  1  0.559  0.802  0.123  1.0
  H  H4  1  0.367  0.718  0.457  1.0
  H  H5  1  0.282  0.633  0.043  1.0
  H  H6  1  0.633  0.282  0.543  1.0
  H  H7  1  0.718  0.367  0.957  1.0
  H  H8  1  0.086  0.823  0.377  1.0
  H  H9  1  0.177  0.914  0.123  1.0
  H  H10  1  0.914  0.177  0.623  1.0
  H  H11  1  0.823  0.086  0.877  1.0
  H  H12  1  0.139  0.761  0.574  1.0
  H  H13  1  0.239  0.861  0.926  1.0
  H  H14  1  0.861  0.239  0.426  1.0
  H  H15  1  0.761  0.139  0.074  1.0
  S  S16  1  0.293  0.013  0.645  1.0
  S  S17  1  0.987  0.707  0.855  1.0
  S  S18  1  0.707  0.987  0.355  1.0
  S  S19  1  0.013  0.293  0.145  1.0
  O  O20  1  0.471  0.714  0.462  1.0
  O  O21  1  0.286  0.529  0.038  1.0
  O  O22  1  0.529  0.286  0.538  1.0
  O  O23  1  0.714  0.471  0.962  1.0
  O  O24  1  0.365  0.914  0.446  1.0
  O  O25  1  0.086  0.635  0.054  1.0
  O  O26  1  0.635  0.086  0.554  1.0
  O  O27  1  0.914  0.365  0.946  1.0
  O  O28  1  0.168  0.994  0.711  1.0
  O  O29  1  0.006  0.832  0.789  1.0
  O  O30  1  0.832  0.006  0.289  1.0
  O  O31  1  0.994  0.168  0.211  1.0
  O  O32  1  0.460  0.911  0.752  1.0
  O  O33  1  0.089  0.540  0.748  1.0
  O  O34  1  0.540  0.089  0.248  1.0
  O  O35  1  0.911  0.460  0.252  1.0
  O  O36  1  0.200  0.201  0.592  1.0
  O  O37  1  0.799  0.800  0.908  1.0
  O  O38  1  0.800  0.799  0.408  1.0
  O  O39  1  0.201  0.200  0.092  1.0
  O  O40  1  0.194  0.727  0.453  1.0
  O  O41  1  0.273  0.806  0.047  1.0
  O  O42  1  0.806  0.273  0.547  1.0
  O  O43  1  0.727  0.194  0.953  1.0
[/CIF]
.
The material described by KH3SO6 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 10-coordinate geometry to one O(2), one O(6), two equivalent O(1), three equivalent O(4), and three equivalent O(5) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one O(1) and one O(6) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(6) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(6) atom. S(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(4), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to two equivalent K(1), one H(1), and one O(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(1), one S(1), and one O(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one S(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to three equivalent K(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to three equivalent K(1) and one S(1) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one K(1), one H(1), one H(2), and one H(3) atom. is represented by the CIF card [CIF]
data_KH3SO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.022
_cell_length_b   10.022
_cell_length_c   7.566
_cell_angle_alpha   89.015
_cell_angle_beta   89.015
_cell_angle_gamma   45.492
_symmetry_Int_Tables_number   1
_cell_volume   541.787
_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
  K  K0  1  0.802  0.559  0.623  1.0
  K  K1  1  0.441  0.198  0.877  1.0
  K  K2  1  0.198  0.441  0.377  1.0
  K  K3  1  0.559  0.802  0.123  1.0
  H  H4  1  0.367  0.718  0.457  1.0
  H  H5  1  0.282  0.633  0.043  1.0
  H  H6  1  0.633  0.282  0.543  1.0
  H  H7  1  0.718  0.367  0.957  1.0
  H  H8  1  0.086  0.823  0.377  1.0
  H  H9  1  0.177  0.914  0.123  1.0
  H  H10  1  0.914  0.177  0.623  1.0
  H  H11  1  0.823  0.086  0.877  1.0
  H  H12  1  0.139  0.761  0.574  1.0
  H  H13  1  0.239  0.861  0.926  1.0
  H  H14  1  0.861  0.239  0.426  1.0
  H  H15  1  0.761  0.139  0.074  1.0
  S  S16  1  0.293  0.013  0.645  1.0
  S  S17  1  0.987  0.707  0.855  1.0
  S  S18  1  0.707  0.987  0.355  1.0
  S  S19  1  0.013  0.293  0.145  1.0
  O  O20  1  0.471  0.714  0.462  1.0
  O  O21  1  0.286  0.529  0.038  1.0
  O  O22  1  0.529  0.286  0.538  1.0
  O  O23  1  0.714  0.471  0.962  1.0
  O  O24  1  0.365  0.914  0.446  1.0
  O  O25  1  0.086  0.635  0.054  1.0
  O  O26  1  0.635  0.086  0.554  1.0
  O  O27  1  0.914  0.365  0.946  1.0
  O  O28  1  0.168  0.994  0.711  1.0
  O  O29  1  0.006  0.832  0.789  1.0
  O  O30  1  0.832  0.006  0.289  1.0
  O  O31  1  0.994  0.168  0.211  1.0
  O  O32  1  0.460  0.911  0.752  1.0
  O  O33  1  0.089  0.540  0.748  1.0
  O  O34  1  0.540  0.089  0.248  1.0
  O  O35  1  0.911  0.460  0.252  1.0
  O  O36  1  0.200  0.201  0.592  1.0
  O  O37  1  0.799  0.800  0.908  1.0
  O  O38  1  0.800  0.799  0.408  1.0
  O  O39  1  0.201  0.200  0.092  1.0
  O  O40  1  0.194  0.727  0.453  1.0
  O  O41  1  0.273  0.806  0.047  1.0
  O  O42  1  0.806  0.273  0.547  1.0
  O  O43  1  0.727  0.194  0.953  1.0
[/CIF]
.