The structure described by NaNdH2S2O9 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(3), two equivalent O(4), and two equivalent O(5) atoms. Nd(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. H(1) is bonded in a single-bond geometry to one O(2) atom. S(1) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(4), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Nd(1), and one S(1) atom. In the second O site, O(2) is bonded in a water-like geometry to one Nd(1) and two equivalent H(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Nd(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Na(1), one Nd(1), and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Na(1), one Nd(1), and one S(1) atom. is represented by the CIF card [CIF]
data_NaNdH2S2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.064
_cell_length_b   7.064
_cell_length_c   12.978
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   560.856
_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  0.527  0.527  0.500  1.0
  Na  Na1  1  0.473  0.000  0.833  1.0
  Na  Na2  1  0.000  0.473  0.167  1.0
  Nd  Nd3  1  0.438  0.000  0.333  1.0
  Nd  Nd4  1  0.000  0.438  0.667  1.0
  Nd  Nd5  1  0.562  0.562  0.000  1.0
  H  H6  1  0.052  0.096  0.373  1.0
  H  H7  1  0.096  0.052  0.627  1.0
  H  H8  1  0.956  0.904  0.293  1.0
  H  H9  1  0.948  0.044  0.960  1.0
  H  H10  1  0.904  0.956  0.707  1.0
  H  H11  1  0.044  0.948  0.040  1.0
  S  S12  1  0.454  0.011  0.090  1.0
  S  S13  1  0.557  0.546  0.757  1.0
  S  S14  1  0.989  0.443  0.423  1.0
  S  S15  1  0.011  0.454  0.910  1.0
  S  S16  1  0.443  0.989  0.577  1.0
  S  S17  1  0.546  0.557  0.243  1.0
  O  O18  1  0.489  0.359  0.829  1.0
  O  O19  1  0.000  0.086  0.667  1.0
  O  O20  1  0.612  0.740  0.824  1.0
  O  O21  1  0.914  0.914  0.000  1.0
  O  O22  1  0.086  0.000  0.333  1.0
  O  O23  1  0.128  0.388  0.490  1.0
  O  O24  1  0.410  0.164  0.029  1.0
  O  O25  1  0.382  0.507  0.682  1.0
  O  O26  1  0.507  0.382  0.318  1.0
  O  O27  1  0.870  0.511  0.495  1.0
  O  O28  1  0.359  0.489  0.171  1.0
  O  O29  1  0.590  0.754  0.304  1.0
  O  O30  1  0.740  0.612  0.176  1.0
  O  O31  1  0.754  0.590  0.696  1.0
  O  O32  1  0.493  0.875  0.016  1.0
  O  O33  1  0.836  0.246  0.363  1.0
  O  O34  1  0.511  0.870  0.505  1.0
  O  O35  1  0.618  0.125  0.651  1.0
  O  O36  1  0.125  0.618  0.349  1.0
  O  O37  1  0.641  0.130  0.162  1.0
  O  O38  1  0.130  0.641  0.838  1.0
  O  O39  1  0.246  0.836  0.637  1.0
  O  O40  1  0.164  0.410  0.971  1.0
  O  O41  1  0.872  0.260  0.843  1.0
  O  O42  1  0.388  0.128  0.510  1.0
  O  O43  1  0.875  0.493  0.984  1.0
  O  O44  1  0.260  0.872  0.157  1.0
[/CIF]
.
The structure described by NaNdH2S2O9 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(3), two equivalent O(4), and two equivalent O(5) atoms. Nd(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. H(1) is bonded in a single-bond geometry to one O(2) atom. S(1) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(4), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Nd(1), and one S(1) atom. In the second O site, O(2) is bonded in a water-like geometry to one Nd(1) and two equivalent H(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Nd(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Na(1), one Nd(1), and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Na(1), one Nd(1), and one S(1) atom. is represented by the CIF card [CIF]
data_NaNdH2S2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.064
_cell_length_b   7.064
_cell_length_c   12.978
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   560.856
_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  0.527  0.527  0.500  1.0
  Na  Na1  1  0.473  0.000  0.833  1.0
  Na  Na2  1  0.000  0.473  0.167  1.0
  Nd  Nd3  1  0.438  0.000  0.333  1.0
  Nd  Nd4  1  0.000  0.438  0.667  1.0
  Nd  Nd5  1  0.562  0.562  0.000  1.0
  H  H6  1  0.052  0.096  0.373  1.0
  H  H7  1  0.096  0.052  0.627  1.0
  H  H8  1  0.956  0.904  0.293  1.0
  H  H9  1  0.948  0.044  0.960  1.0
  H  H10  1  0.904  0.956  0.707  1.0
  H  H11  1  0.044  0.948  0.040  1.0
  S  S12  1  0.454  0.011  0.090  1.0
  S  S13  1  0.557  0.546  0.757  1.0
  S  S14  1  0.989  0.443  0.423  1.0
  S  S15  1  0.011  0.454  0.910  1.0
  S  S16  1  0.443  0.989  0.577  1.0
  S  S17  1  0.546  0.557  0.243  1.0
  O  O18  1  0.489  0.359  0.829  1.0
  O  O19  1  0.000  0.086  0.667  1.0
  O  O20  1  0.612  0.740  0.824  1.0
  O  O21  1  0.914  0.914  0.000  1.0
  O  O22  1  0.086  0.000  0.333  1.0
  O  O23  1  0.128  0.388  0.490  1.0
  O  O24  1  0.410  0.164  0.029  1.0
  O  O25  1  0.382  0.507  0.682  1.0
  O  O26  1  0.507  0.382  0.318  1.0
  O  O27  1  0.870  0.511  0.495  1.0
  O  O28  1  0.359  0.489  0.171  1.0
  O  O29  1  0.590  0.754  0.304  1.0
  O  O30  1  0.740  0.612  0.176  1.0
  O  O31  1  0.754  0.590  0.696  1.0
  O  O32  1  0.493  0.875  0.016  1.0
  O  O33  1  0.836  0.246  0.363  1.0
  O  O34  1  0.511  0.870  0.505  1.0
  O  O35  1  0.618  0.125  0.651  1.0
  O  O36  1  0.125  0.618  0.349  1.0
  O  O37  1  0.641  0.130  0.162  1.0
  O  O38  1  0.130  0.641  0.838  1.0
  O  O39  1  0.246  0.836  0.637  1.0
  O  O40  1  0.164  0.410  0.971  1.0
  O  O41  1  0.872  0.260  0.843  1.0
  O  O42  1  0.388  0.128  0.510  1.0
  O  O43  1  0.875  0.493  0.984  1.0
  O  O44  1  0.260  0.872  0.157  1.0
[/CIF]
.