The crystal structure described by NaTbH2S2O9 crystallizes in the trigonal P3_121 space group. Na(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. Tb(1) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. H(1) is bonded in a single-bond geometry to one O(3) atom. S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(4), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(4) is bonded in a distorted single-bond geometry to one Na(1), one Tb(1), and one S(1) atom. In the second O site, O(5) is bonded in a 1-coordinate geometry to one Na(1), one Tb(1), and one S(1) atom. In the third O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Tb(1), and one S(1) atom. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Tb(1), and one S(1) atom. In the fifth O site, O(3) is bonded in a distorted water-like geometry to one Tb(1) and two equivalent H(1) atoms. is represented by the CIF card [CIF]
data_NaTbH2S2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.981
_cell_length_b   6.981
_cell_length_c   12.798
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   540.056
_cell_formula_units_Z   3
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
  Na  Na0  1  0.472  0.000  0.833  1.0
  Na  Na1  1  0.528  0.528  0.500  1.0
  Na  Na2  1  0.000  0.472  0.167  1.0
  Tb  Tb3  1  0.000  0.441  0.667  1.0
  Tb  Tb4  1  0.441  0.000  0.333  1.0
  Tb  Tb5  1  0.559  0.559  0.000  1.0
  H  H6  1  0.894  0.964  0.703  1.0
  H  H7  1  0.070  0.106  0.369  1.0
  H  H8  1  0.036  0.930  0.036  1.0
  H  H9  1  0.106  0.070  0.631  1.0
  H  H10  1  0.964  0.894  0.297  1.0
  H  H11  1  0.930  0.036  0.964  1.0
  S  S12  1  0.986  0.444  0.426  1.0
  S  S13  1  0.458  0.014  0.093  1.0
  S  S14  1  0.556  0.542  0.760  1.0
  S  S15  1  0.014  0.458  0.907  1.0
  S  S16  1  0.444  0.986  0.574  1.0
  S  S17  1  0.542  0.556  0.240  1.0
  O  O18  1  0.125  0.386  0.495  1.0
  O  O19  1  0.261  0.875  0.161  1.0
  O  O20  1  0.614  0.739  0.828  1.0
  O  O21  1  0.875  0.261  0.839  1.0
  O  O22  1  0.386  0.125  0.505  1.0
  O  O23  1  0.739  0.614  0.172  1.0
  O  O24  1  0.868  0.514  0.501  1.0
  O  O25  1  0.646  0.132  0.168  1.0
  O  O26  1  0.486  0.354  0.834  1.0
  O  O27  1  0.132  0.646  0.832  1.0
  O  O28  1  0.514  0.868  0.499  1.0
  O  O29  1  0.354  0.486  0.166  1.0
  O  O30  1  0.000  0.099  0.667  1.0
  O  O31  1  0.099  0.000  0.333  1.0
  O  O32  1  0.901  0.901  0.000  1.0
  O  O33  1  0.125  0.621  0.351  1.0
  O  O34  1  0.496  0.875  0.018  1.0
  O  O35  1  0.379  0.504  0.685  1.0
  O  O36  1  0.875  0.496  0.982  1.0
  O  O37  1  0.621  0.125  0.649  1.0
  O  O38  1  0.504  0.379  0.315  1.0
  O  O39  1  0.829  0.247  0.365  1.0
  O  O40  1  0.418  0.171  0.031  1.0
  O  O41  1  0.753  0.582  0.698  1.0
  O  O42  1  0.171  0.418  0.969  1.0
  O  O43  1  0.247  0.829  0.635  1.0
  O  O44  1  0.582  0.753  0.302  1.0
[/CIF]
.
The crystal structure described by NaTbH2S2O9 crystallizes in the trigonal P3_121 space group. Na(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. Tb(1) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. H(1) is bonded in a single-bond geometry to one O(3) atom. S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(4), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(4) is bonded in a distorted single-bond geometry to one Na(1), one Tb(1), and one S(1) atom. In the second O site, O(5) is bonded in a 1-coordinate geometry to one Na(1), one Tb(1), and one S(1) atom. In the third O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Tb(1), and one S(1) atom. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Tb(1), and one S(1) atom. In the fifth O site, O(3) is bonded in a distorted water-like geometry to one Tb(1) and two equivalent H(1) atoms. is represented by the CIF card [CIF]
data_NaTbH2S2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.981
_cell_length_b   6.981
_cell_length_c   12.798
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   540.056
_cell_formula_units_Z   3
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
  Na  Na0  1  0.472  0.000  0.833  1.0
  Na  Na1  1  0.528  0.528  0.500  1.0
  Na  Na2  1  0.000  0.472  0.167  1.0
  Tb  Tb3  1  0.000  0.441  0.667  1.0
  Tb  Tb4  1  0.441  0.000  0.333  1.0
  Tb  Tb5  1  0.559  0.559  0.000  1.0
  H  H6  1  0.894  0.964  0.703  1.0
  H  H7  1  0.070  0.106  0.369  1.0
  H  H8  1  0.036  0.930  0.036  1.0
  H  H9  1  0.106  0.070  0.631  1.0
  H  H10  1  0.964  0.894  0.297  1.0
  H  H11  1  0.930  0.036  0.964  1.0
  S  S12  1  0.986  0.444  0.426  1.0
  S  S13  1  0.458  0.014  0.093  1.0
  S  S14  1  0.556  0.542  0.760  1.0
  S  S15  1  0.014  0.458  0.907  1.0
  S  S16  1  0.444  0.986  0.574  1.0
  S  S17  1  0.542  0.556  0.240  1.0
  O  O18  1  0.125  0.386  0.495  1.0
  O  O19  1  0.261  0.875  0.161  1.0
  O  O20  1  0.614  0.739  0.828  1.0
  O  O21  1  0.875  0.261  0.839  1.0
  O  O22  1  0.386  0.125  0.505  1.0
  O  O23  1  0.739  0.614  0.172  1.0
  O  O24  1  0.868  0.514  0.501  1.0
  O  O25  1  0.646  0.132  0.168  1.0
  O  O26  1  0.486  0.354  0.834  1.0
  O  O27  1  0.132  0.646  0.832  1.0
  O  O28  1  0.514  0.868  0.499  1.0
  O  O29  1  0.354  0.486  0.166  1.0
  O  O30  1  0.000  0.099  0.667  1.0
  O  O31  1  0.099  0.000  0.333  1.0
  O  O32  1  0.901  0.901  0.000  1.0
  O  O33  1  0.125  0.621  0.351  1.0
  O  O34  1  0.496  0.875  0.018  1.0
  O  O35  1  0.379  0.504  0.685  1.0
  O  O36  1  0.875  0.496  0.982  1.0
  O  O37  1  0.621  0.125  0.649  1.0
  O  O38  1  0.504  0.379  0.315  1.0
  O  O39  1  0.829  0.247  0.365  1.0
  O  O40  1  0.418  0.171  0.031  1.0
  O  O41  1  0.753  0.582  0.698  1.0
  O  O42  1  0.171  0.418  0.969  1.0
  O  O43  1  0.247  0.829  0.635  1.0
  O  O44  1  0.582  0.753  0.302  1.0
[/CIF]
.