The crystal structure described by NaGdH2S2O9 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(3), and two equivalent O(4) atoms. Gd(1) is bonded in a 9-coordinate geometry to one O(5), two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. H(1) is bonded in a single-bond geometry to one O(5) atom. S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Gd(1), and one S(1) atom. In the second O site, O(5) is bonded in a distorted water-like geometry to one Gd(1) and two equivalent H(1) atoms. In the third O site, O(1) is bonded in a 1-coordinate geometry to one Na(1), one Gd(1), and one S(1) atom. In the fourth O site, O(2) is bonded in a distorted single-bond geometry to one Na(1), one Gd(1), and one S(1) atom. In the fifth O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Gd(1), and one S(1) atom. is represented by the CIF file [CIF]
data_NaGdH2S2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.024
_cell_length_b   7.024
_cell_length_c   12.867
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   549.759
_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  0.471  0.471  0.667  1.0
  Na  Na1  1  0.529  0.000  1.000  1.0
  Na  Na2  1  1.000  0.529  0.333  1.0
  Gd  Gd3  1  0.559  0.000  0.500  1.0
  Gd  Gd4  1  1.000  0.559  0.833  1.0
  Gd  Gd5  1  0.441  0.441  0.167  1.0
  H  H6  1  0.035  0.098  0.460  1.0
  H  H7  1  0.902  0.937  0.793  1.0
  H  H8  1  0.063  0.965  0.126  1.0
  H  H9  1  0.965  0.063  0.207  1.0
  H  H10  1  0.937  0.902  0.540  1.0
  H  H11  1  0.098  0.035  0.874  1.0
  S  S12  1  0.557  0.013  0.741  1.0
  S  S13  1  0.987  0.543  0.074  1.0
  S  S14  1  0.457  0.443  0.408  1.0
  S  S15  1  0.443  0.457  0.926  1.0
  S  S16  1  0.543  0.987  0.259  1.0
  S  S17  1  0.013  0.557  0.592  1.0
  O  O18  1  0.753  0.169  0.802  1.0
  O  O19  1  0.831  0.584  0.136  1.0
  O  O20  1  0.416  0.247  0.469  1.0
  O  O21  1  0.247  0.416  0.864  1.0
  O  O22  1  0.584  0.831  0.198  1.0
  O  O23  1  0.169  0.753  0.531  1.0
  O  O24  1  0.380  0.875  0.816  1.0
  O  O25  1  0.125  0.504  0.149  1.0
  O  O26  1  0.496  0.620  0.482  1.0
  O  O27  1  0.620  0.496  0.851  1.0
  O  O28  1  0.504  0.125  0.184  1.0
  O  O29  1  0.875  0.380  0.518  1.0
  O  O30  1  0.614  0.875  0.673  1.0
  O  O31  1  0.125  0.739  0.006  1.0
  O  O32  1  0.261  0.386  0.340  1.0
  O  O33  1  0.386  0.261  0.994  1.0
  O  O34  1  0.739  0.125  0.327  1.0
  O  O35  1  0.875  0.614  0.660  1.0
  O  O36  1  0.488  0.132  0.667  1.0
  O  O37  1  0.868  0.356  0.000  1.0
  O  O38  1  0.644  0.512  0.334  1.0
  O  O39  1  0.512  0.644  1.000  1.0
  O  O40  1  0.356  0.868  0.333  1.0
  O  O41  1  0.132  0.488  0.666  1.0
  O  O42  1  0.904  0.000  0.500  1.0
  O  O43  1  1.000  0.904  0.833  1.0
  O  O44  1  0.096  0.096  0.167  1.0
[/CIF]
.
The crystal structure described by NaGdH2S2O9 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(3), and two equivalent O(4) atoms. Gd(1) is bonded in a 9-coordinate geometry to one O(5), two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. H(1) is bonded in a single-bond geometry to one O(5) atom. S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Gd(1), and one S(1) atom. In the second O site, O(5) is bonded in a distorted water-like geometry to one Gd(1) and two equivalent H(1) atoms. In the third O site, O(1) is bonded in a 1-coordinate geometry to one Na(1), one Gd(1), and one S(1) atom. In the fourth O site, O(2) is bonded in a distorted single-bond geometry to one Na(1), one Gd(1), and one S(1) atom. In the fifth O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Gd(1), and one S(1) atom. is represented by the CIF file [CIF]
data_NaGdH2S2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.024
_cell_length_b   7.024
_cell_length_c   12.867
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   549.759
_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  0.471  0.471  0.667  1.0
  Na  Na1  1  0.529  0.000  1.000  1.0
  Na  Na2  1  1.000  0.529  0.333  1.0
  Gd  Gd3  1  0.559  0.000  0.500  1.0
  Gd  Gd4  1  1.000  0.559  0.833  1.0
  Gd  Gd5  1  0.441  0.441  0.167  1.0
  H  H6  1  0.035  0.098  0.460  1.0
  H  H7  1  0.902  0.937  0.793  1.0
  H  H8  1  0.063  0.965  0.126  1.0
  H  H9  1  0.965  0.063  0.207  1.0
  H  H10  1  0.937  0.902  0.540  1.0
  H  H11  1  0.098  0.035  0.874  1.0
  S  S12  1  0.557  0.013  0.741  1.0
  S  S13  1  0.987  0.543  0.074  1.0
  S  S14  1  0.457  0.443  0.408  1.0
  S  S15  1  0.443  0.457  0.926  1.0
  S  S16  1  0.543  0.987  0.259  1.0
  S  S17  1  0.013  0.557  0.592  1.0
  O  O18  1  0.753  0.169  0.802  1.0
  O  O19  1  0.831  0.584  0.136  1.0
  O  O20  1  0.416  0.247  0.469  1.0
  O  O21  1  0.247  0.416  0.864  1.0
  O  O22  1  0.584  0.831  0.198  1.0
  O  O23  1  0.169  0.753  0.531  1.0
  O  O24  1  0.380  0.875  0.816  1.0
  O  O25  1  0.125  0.504  0.149  1.0
  O  O26  1  0.496  0.620  0.482  1.0
  O  O27  1  0.620  0.496  0.851  1.0
  O  O28  1  0.504  0.125  0.184  1.0
  O  O29  1  0.875  0.380  0.518  1.0
  O  O30  1  0.614  0.875  0.673  1.0
  O  O31  1  0.125  0.739  0.006  1.0
  O  O32  1  0.261  0.386  0.340  1.0
  O  O33  1  0.386  0.261  0.994  1.0
  O  O34  1  0.739  0.125  0.327  1.0
  O  O35  1  0.875  0.614  0.660  1.0
  O  O36  1  0.488  0.132  0.667  1.0
  O  O37  1  0.868  0.356  0.000  1.0
  O  O38  1  0.644  0.512  0.334  1.0
  O  O39  1  0.512  0.644  1.000  1.0
  O  O40  1  0.356  0.868  0.333  1.0
  O  O41  1  0.132  0.488  0.666  1.0
  O  O42  1  0.904  0.000  0.500  1.0
  O  O43  1  1.000  0.904  0.833  1.0
  O  O44  1  0.096  0.096  0.167  1.0
[/CIF]
.