The material structure described by KTbH(SO4)2 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. Tb(1) is bonded in a 8-coordinate geometry to one H(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. H(1) is bonded in a single-bond geometry to one Tb(1) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(2), one O(5), one O(6), and one O(7) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(4), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(4) is bonded in a 2-coordinate geometry to one K(1), one Tb(1), and one S(2) atom. In the second O site, O(5) is bonded in a 3-coordinate geometry to one K(1), one Tb(1), and one S(1) atom. In the third O site, O(6) is bonded in a distorted single-bond geometry to one K(1), one Tb(1), and one S(1) atom. In the fourth O site, O(7) is bonded in a 3-coordinate geometry to one K(1), one Tb(1), and one S(1) atom. In the fifth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one K(1), one Tb(1), and one S(2) atom. In the sixth O site, O(1) is bonded in a distorted bent 120 degrees geometry to one K(1) and one S(2) atom. In the seventh O site, O(2) is bonded in a 1-coordinate geometry to one K(1), one Tb(1), and one S(1) atom. In the eighth O site, O(3) is bonded in a distorted bent 150 degrees geometry to one K(1), one Tb(1), and one S(2) atom. is represented by the CIF card [CIF]
data_KTbH(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.824
_cell_length_b   10.128
_cell_length_c   10.220
_cell_angle_alpha   60.386
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   794.056
_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  0.317  0.286  0.691  1.0
  K  K1  1  0.683  0.714  0.309  1.0
  K  K2  1  0.817  0.714  0.809  1.0
  K  K3  1  0.183  0.286  0.191  1.0
  Tb  Tb4  1  0.375  0.754  0.963  1.0
  Tb  Tb5  1  0.625  0.246  0.037  1.0
  Tb  Tb6  1  0.875  0.246  0.537  1.0
  Tb  Tb7  1  0.125  0.754  0.463  1.0
  H  H8  1  0.074  0.834  0.948  1.0
  H  H9  1  0.926  0.166  0.052  1.0
  H  H10  1  0.574  0.166  0.552  1.0
  H  H11  1  0.426  0.834  0.448  1.0
  S  S12  1  0.133  0.559  0.314  1.0
  S  S13  1  0.867  0.441  0.686  1.0
  S  S14  1  0.633  0.441  0.186  1.0
  S  S15  1  0.367  0.559  0.814  1.0
  S  S16  1  0.199  0.998  0.604  1.0
  S  S17  1  0.801  0.002  0.396  1.0
  S  S18  1  0.699  0.002  0.896  1.0
  S  S19  1  0.301  0.998  0.104  1.0
  O  O20  1  0.781  0.922  0.038  1.0
  O  O21  1  0.219  0.078  0.962  1.0
  O  O22  1  0.281  0.078  0.462  1.0
  O  O23  1  0.719  0.922  0.538  1.0
  O  O24  1  0.205  0.593  0.170  1.0
  O  O25  1  0.795  0.407  0.830  1.0
  O  O26  1  0.705  0.407  0.330  1.0
  O  O27  1  0.295  0.593  0.670  1.0
  O  O28  1  0.305  0.946  0.735  1.0
  O  O29  1  0.695  0.054  0.265  1.0
  O  O30  1  0.805  0.054  0.765  1.0
  O  O31  1  0.195  0.946  0.235  1.0
  O  O32  1  0.380  0.860  0.117  1.0
  O  O33  1  0.620  0.140  0.883  1.0
  O  O34  1  0.880  0.140  0.383  1.0
  O  O35  1  0.120  0.860  0.617  1.0
  O  O36  1  0.246  0.562  0.422  1.0
  O  O37  1  0.754  0.438  0.578  1.0
  O  O38  1  0.746  0.438  0.078  1.0
  O  O39  1  0.254  0.562  0.922  1.0
  O  O40  1  0.015  0.672  0.296  1.0
  O  O41  1  0.985  0.328  0.704  1.0
  O  O42  1  0.515  0.328  0.204  1.0
  O  O43  1  0.485  0.672  0.796  1.0
  O  O44  1  0.065  0.403  0.379  1.0
  O  O45  1  0.935  0.597  0.621  1.0
  O  O46  1  0.565  0.597  0.121  1.0
  O  O47  1  0.435  0.403  0.879  1.0
  O  O48  1  0.586  0.903  0.878  1.0
  O  O49  1  0.414  0.097  0.122  1.0
  O  O50  1  0.086  0.097  0.622  1.0
  O  O51  1  0.914  0.903  0.378  1.0
[/CIF]
.
The material structure described by KTbH(SO4)2 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. Tb(1) is bonded in a 8-coordinate geometry to one H(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. H(1) is bonded in a single-bond geometry to one Tb(1) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(2), one O(5), one O(6), and one O(7) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(4), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(4) is bonded in a 2-coordinate geometry to one K(1), one Tb(1), and one S(2) atom. In the second O site, O(5) is bonded in a 3-coordinate geometry to one K(1), one Tb(1), and one S(1) atom. In the third O site, O(6) is bonded in a distorted single-bond geometry to one K(1), one Tb(1), and one S(1) atom. In the fourth O site, O(7) is bonded in a 3-coordinate geometry to one K(1), one Tb(1), and one S(1) atom. In the fifth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one K(1), one Tb(1), and one S(2) atom. In the sixth O site, O(1) is bonded in a distorted bent 120 degrees geometry to one K(1) and one S(2) atom. In the seventh O site, O(2) is bonded in a 1-coordinate geometry to one K(1), one Tb(1), and one S(1) atom. In the eighth O site, O(3) is bonded in a distorted bent 150 degrees geometry to one K(1), one Tb(1), and one S(2) atom. is represented by the CIF card [CIF]
data_KTbH(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.824
_cell_length_b   10.128
_cell_length_c   10.220
_cell_angle_alpha   60.386
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   794.056
_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  0.317  0.286  0.691  1.0
  K  K1  1  0.683  0.714  0.309  1.0
  K  K2  1  0.817  0.714  0.809  1.0
  K  K3  1  0.183  0.286  0.191  1.0
  Tb  Tb4  1  0.375  0.754  0.963  1.0
  Tb  Tb5  1  0.625  0.246  0.037  1.0
  Tb  Tb6  1  0.875  0.246  0.537  1.0
  Tb  Tb7  1  0.125  0.754  0.463  1.0
  H  H8  1  0.074  0.834  0.948  1.0
  H  H9  1  0.926  0.166  0.052  1.0
  H  H10  1  0.574  0.166  0.552  1.0
  H  H11  1  0.426  0.834  0.448  1.0
  S  S12  1  0.133  0.559  0.314  1.0
  S  S13  1  0.867  0.441  0.686  1.0
  S  S14  1  0.633  0.441  0.186  1.0
  S  S15  1  0.367  0.559  0.814  1.0
  S  S16  1  0.199  0.998  0.604  1.0
  S  S17  1  0.801  0.002  0.396  1.0
  S  S18  1  0.699  0.002  0.896  1.0
  S  S19  1  0.301  0.998  0.104  1.0
  O  O20  1  0.781  0.922  0.038  1.0
  O  O21  1  0.219  0.078  0.962  1.0
  O  O22  1  0.281  0.078  0.462  1.0
  O  O23  1  0.719  0.922  0.538  1.0
  O  O24  1  0.205  0.593  0.170  1.0
  O  O25  1  0.795  0.407  0.830  1.0
  O  O26  1  0.705  0.407  0.330  1.0
  O  O27  1  0.295  0.593  0.670  1.0
  O  O28  1  0.305  0.946  0.735  1.0
  O  O29  1  0.695  0.054  0.265  1.0
  O  O30  1  0.805  0.054  0.765  1.0
  O  O31  1  0.195  0.946  0.235  1.0
  O  O32  1  0.380  0.860  0.117  1.0
  O  O33  1  0.620  0.140  0.883  1.0
  O  O34  1  0.880  0.140  0.383  1.0
  O  O35  1  0.120  0.860  0.617  1.0
  O  O36  1  0.246  0.562  0.422  1.0
  O  O37  1  0.754  0.438  0.578  1.0
  O  O38  1  0.746  0.438  0.078  1.0
  O  O39  1  0.254  0.562  0.922  1.0
  O  O40  1  0.015  0.672  0.296  1.0
  O  O41  1  0.985  0.328  0.704  1.0
  O  O42  1  0.515  0.328  0.204  1.0
  O  O43  1  0.485  0.672  0.796  1.0
  O  O44  1  0.065  0.403  0.379  1.0
  O  O45  1  0.935  0.597  0.621  1.0
  O  O46  1  0.565  0.597  0.121  1.0
  O  O47  1  0.435  0.403  0.879  1.0
  O  O48  1  0.586  0.903  0.878  1.0
  O  O49  1  0.414  0.097  0.122  1.0
  O  O50  1  0.086  0.097  0.622  1.0
  O  O51  1  0.914  0.903  0.378  1.0
[/CIF]
.