The crystal structure described by NaGdH2S2O9 crystallizes in the trigonal P3_221 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(1) is bonded in a 1-coordinate geometry to one Na(1), one Gd(1), and one S(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Gd(1), and one S(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Gd(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 Gd(1), and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one Gd(1) and two equivalent H(1) atoms. is represented by the CIF card [CIF]
data_NaGdH2S2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.990
_cell_length_b   6.990
_cell_length_c   12.877
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   544.865
_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  0.470  0.000  0.167  1.0
  Na  Na1  1  0.530  0.530  0.500  1.0
  Na  Na2  1  0.000  0.470  0.833  1.0
  Gd  Gd3  1  0.441  0.000  0.667  1.0
  Gd  Gd4  1  0.559  0.559  0.000  1.0
  Gd  Gd5  1  0.000  0.441  0.333  1.0
  H  H6  1  0.062  0.102  0.629  1.0
  H  H7  1  0.898  0.960  0.296  1.0
  H  H8  1  0.938  0.040  0.037  1.0
  H  H9  1  0.960  0.898  0.704  1.0
  H  H10  1  0.102  0.062  0.371  1.0
  H  H11  1  0.040  0.938  0.963  1.0
  S  S12  1  0.556  0.544  0.242  1.0
  S  S13  1  0.988  0.444  0.575  1.0
  S  S14  1  0.544  0.556  0.758  1.0
  S  S15  1  0.456  0.012  0.908  1.0
  S  S16  1  0.444  0.988  0.425  1.0
  S  S17  1  0.012  0.456  0.092  1.0
  O  O18  1  0.587  0.754  0.697  1.0
  O  O19  1  0.413  0.167  0.969  1.0
  O  O20  1  0.167  0.413  0.031  1.0
  O  O21  1  0.754  0.587  0.303  1.0
  O  O22  1  0.486  0.355  0.169  1.0
  O  O23  1  0.739  0.611  0.826  1.0
  O  O24  1  0.246  0.833  0.364  1.0
  O  O25  1  0.645  0.131  0.835  1.0
  O  O26  1  0.621  0.126  0.350  1.0
  O  O27  1  0.869  0.514  0.502  1.0
  O  O28  1  0.495  0.874  0.984  1.0
  O  O29  1  0.094  0.000  0.667  1.0
  O  O30  1  0.128  0.389  0.507  1.0
  O  O31  1  0.833  0.246  0.636  1.0
  O  O32  1  0.872  0.261  0.159  1.0
  O  O33  1  0.514  0.869  0.498  1.0
  O  O34  1  0.505  0.379  0.683  1.0
  O  O35  1  0.906  0.906  0.000  1.0
  O  O36  1  0.874  0.495  0.017  1.0
  O  O37  1  0.611  0.739  0.174  1.0
  O  O38  1  0.379  0.505  0.317  1.0
  O  O39  1  0.000  0.094  0.333  1.0
  O  O40  1  0.355  0.486  0.831  1.0
  O  O41  1  0.131  0.645  0.165  1.0
  O  O42  1  0.126  0.621  0.650  1.0
  O  O43  1  0.261  0.872  0.841  1.0
  O  O44  1  0.389  0.128  0.493  1.0
[/CIF]
.
The crystal structure described by NaGdH2S2O9 crystallizes in the trigonal P3_221 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(1) is bonded in a 1-coordinate geometry to one Na(1), one Gd(1), and one S(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Gd(1), and one S(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Gd(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 Gd(1), and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one Gd(1) and two equivalent H(1) atoms. is represented by the CIF card [CIF]
data_NaGdH2S2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.990
_cell_length_b   6.990
_cell_length_c   12.877
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   544.865
_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  0.470  0.000  0.167  1.0
  Na  Na1  1  0.530  0.530  0.500  1.0
  Na  Na2  1  0.000  0.470  0.833  1.0
  Gd  Gd3  1  0.441  0.000  0.667  1.0
  Gd  Gd4  1  0.559  0.559  0.000  1.0
  Gd  Gd5  1  0.000  0.441  0.333  1.0
  H  H6  1  0.062  0.102  0.629  1.0
  H  H7  1  0.898  0.960  0.296  1.0
  H  H8  1  0.938  0.040  0.037  1.0
  H  H9  1  0.960  0.898  0.704  1.0
  H  H10  1  0.102  0.062  0.371  1.0
  H  H11  1  0.040  0.938  0.963  1.0
  S  S12  1  0.556  0.544  0.242  1.0
  S  S13  1  0.988  0.444  0.575  1.0
  S  S14  1  0.544  0.556  0.758  1.0
  S  S15  1  0.456  0.012  0.908  1.0
  S  S16  1  0.444  0.988  0.425  1.0
  S  S17  1  0.012  0.456  0.092  1.0
  O  O18  1  0.587  0.754  0.697  1.0
  O  O19  1  0.413  0.167  0.969  1.0
  O  O20  1  0.167  0.413  0.031  1.0
  O  O21  1  0.754  0.587  0.303  1.0
  O  O22  1  0.486  0.355  0.169  1.0
  O  O23  1  0.739  0.611  0.826  1.0
  O  O24  1  0.246  0.833  0.364  1.0
  O  O25  1  0.645  0.131  0.835  1.0
  O  O26  1  0.621  0.126  0.350  1.0
  O  O27  1  0.869  0.514  0.502  1.0
  O  O28  1  0.495  0.874  0.984  1.0
  O  O29  1  0.094  0.000  0.667  1.0
  O  O30  1  0.128  0.389  0.507  1.0
  O  O31  1  0.833  0.246  0.636  1.0
  O  O32  1  0.872  0.261  0.159  1.0
  O  O33  1  0.514  0.869  0.498  1.0
  O  O34  1  0.505  0.379  0.683  1.0
  O  O35  1  0.906  0.906  0.000  1.0
  O  O36  1  0.874  0.495  0.017  1.0
  O  O37  1  0.611  0.739  0.174  1.0
  O  O38  1  0.379  0.505  0.317  1.0
  O  O39  1  0.000  0.094  0.333  1.0
  O  O40  1  0.355  0.486  0.831  1.0
  O  O41  1  0.131  0.645  0.165  1.0
  O  O42  1  0.126  0.621  0.650  1.0
  O  O43  1  0.261  0.872  0.841  1.0
  O  O44  1  0.389  0.128  0.493  1.0
[/CIF]
.