The structure described by NaLaH2S2O9 crystallizes in the trigonal P3_1 space group. Na(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), one O(7), one O(8), and one O(9) atom. La(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(5) 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(4), one O(6), and one O(8) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(7), and one O(9) atom. There are nine inequivalent O sites. In the first O site, O(7) is bonded in a distorted single-bond geometry to one Na(1), one La(1), and one S(2) atom. In the second O site, O(8) is bonded in a 3-coordinate geometry to one Na(1), one La(1), and one S(1) atom. In the third O site, O(9) is bonded in a distorted single-bond geometry to one Na(1), one La(1), and one S(2) atom. In the fourth O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one La(1), and one S(2) atom. In the fifth O site, O(2) is bonded in a distorted single-bond geometry to one Na(1), one La(1), and one S(1) atom. In the sixth O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one La(1), and one S(2) atom. In the seventh O site, O(4) is bonded in a distorted single-bond geometry to one Na(1), one La(1), and one S(1) atom. In the eighth O site, O(5) is bonded in a distorted water-like geometry to one La(1), one H(1), and one H(2) atom. In the ninth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one La(1), and one S(1) atom. is represented by the CIF file [CIF]
data_NaLaH2S2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.203
_cell_length_b   7.203
_cell_length_c   12.816
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   575.789
_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  0.476  0.997  0.832  1.0
  Na  Na1  1  0.522  0.524  0.499  1.0
  Na  Na2  1  0.003  0.478  0.166  1.0
  La  La3  1  0.561  0.559  0.999  1.0
  La  La4  1  0.441  0.002  0.332  1.0
  La  La5  1  0.998  0.439  0.666  1.0
  H  H6  1  0.038  0.941  0.038  1.0
  H  H7  1  0.059  0.096  0.371  1.0
  H  H8  1  0.092  0.059  0.622  1.0
  H  H9  1  0.904  0.962  0.705  1.0
  H  H10  1  0.967  0.908  0.289  1.0
  H  H11  1  0.941  0.033  0.955  1.0
  S  S12  1  0.003  0.438  0.919  1.0
  S  S13  1  0.435  0.997  0.586  1.0
  S  S14  1  0.562  0.565  0.252  1.0
  S  S15  1  0.560  0.558  0.746  1.0
  S  S16  1  0.442  0.002  0.079  1.0
  S  S17  1  0.998  0.440  0.413  1.0
  O  O18  1  0.136  0.621  0.342  1.0
  O  O19  1  0.120  0.619  0.844  1.0
  O  O20  1  0.246  0.872  0.144  1.0
  O  O21  1  0.252  0.846  0.652  1.0
  O  O22  1  0.128  0.375  0.478  1.0
  O  O23  1  0.154  0.407  0.986  1.0
  O  O24  1  0.485  0.864  0.009  1.0
  O  O25  1  0.499  0.880  0.510  1.0
  O  O26  1  0.094  0.005  0.329  1.0
  O  O27  1  0.381  0.501  0.177  1.0
  O  O28  1  0.379  0.515  0.676  1.0
  O  O29  1  0.593  0.748  0.319  1.0
  O  O30  1  0.625  0.754  0.811  1.0
  O  O31  1  0.519  0.384  0.323  1.0
  O  O32  1  0.497  0.377  0.821  1.0
  O  O33  1  0.370  0.128  0.521  1.0
  O  O34  1  0.410  0.153  0.012  1.0
  O  O35  1  0.758  0.630  0.188  1.0
  O  O36  1  0.743  0.590  0.679  1.0
  O  O37  1  0.911  0.906  0.996  1.0
  O  O38  1  0.616  0.135  0.656  1.0
  O  O39  1  0.623  0.120  0.155  1.0
  O  O40  1  0.880  0.503  0.488  1.0
  O  O41  1  0.865  0.481  0.989  1.0
  O  O42  1  0.847  0.257  0.346  1.0
  O  O43  1  0.872  0.242  0.854  1.0
  O  O44  1  0.995  0.089  0.663  1.0
[/CIF]
.
The structure described by NaLaH2S2O9 crystallizes in the trigonal P3_1 space group. Na(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), one O(7), one O(8), and one O(9) atom. La(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(5) 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(4), one O(6), and one O(8) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(7), and one O(9) atom. There are nine inequivalent O sites. In the first O site, O(7) is bonded in a distorted single-bond geometry to one Na(1), one La(1), and one S(2) atom. In the second O site, O(8) is bonded in a 3-coordinate geometry to one Na(1), one La(1), and one S(1) atom. In the third O site, O(9) is bonded in a distorted single-bond geometry to one Na(1), one La(1), and one S(2) atom. In the fourth O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one La(1), and one S(2) atom. In the fifth O site, O(2) is bonded in a distorted single-bond geometry to one Na(1), one La(1), and one S(1) atom. In the sixth O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one La(1), and one S(2) atom. In the seventh O site, O(4) is bonded in a distorted single-bond geometry to one Na(1), one La(1), and one S(1) atom. In the eighth O site, O(5) is bonded in a distorted water-like geometry to one La(1), one H(1), and one H(2) atom. In the ninth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one La(1), and one S(1) atom. is represented by the CIF file [CIF]
data_NaLaH2S2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.203
_cell_length_b   7.203
_cell_length_c   12.816
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   575.789
_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  0.476  0.997  0.832  1.0
  Na  Na1  1  0.522  0.524  0.499  1.0
  Na  Na2  1  0.003  0.478  0.166  1.0
  La  La3  1  0.561  0.559  0.999  1.0
  La  La4  1  0.441  0.002  0.332  1.0
  La  La5  1  0.998  0.439  0.666  1.0
  H  H6  1  0.038  0.941  0.038  1.0
  H  H7  1  0.059  0.096  0.371  1.0
  H  H8  1  0.092  0.059  0.622  1.0
  H  H9  1  0.904  0.962  0.705  1.0
  H  H10  1  0.967  0.908  0.289  1.0
  H  H11  1  0.941  0.033  0.955  1.0
  S  S12  1  0.003  0.438  0.919  1.0
  S  S13  1  0.435  0.997  0.586  1.0
  S  S14  1  0.562  0.565  0.252  1.0
  S  S15  1  0.560  0.558  0.746  1.0
  S  S16  1  0.442  0.002  0.079  1.0
  S  S17  1  0.998  0.440  0.413  1.0
  O  O18  1  0.136  0.621  0.342  1.0
  O  O19  1  0.120  0.619  0.844  1.0
  O  O20  1  0.246  0.872  0.144  1.0
  O  O21  1  0.252  0.846  0.652  1.0
  O  O22  1  0.128  0.375  0.478  1.0
  O  O23  1  0.154  0.407  0.986  1.0
  O  O24  1  0.485  0.864  0.009  1.0
  O  O25  1  0.499  0.880  0.510  1.0
  O  O26  1  0.094  0.005  0.329  1.0
  O  O27  1  0.381  0.501  0.177  1.0
  O  O28  1  0.379  0.515  0.676  1.0
  O  O29  1  0.593  0.748  0.319  1.0
  O  O30  1  0.625  0.754  0.811  1.0
  O  O31  1  0.519  0.384  0.323  1.0
  O  O32  1  0.497  0.377  0.821  1.0
  O  O33  1  0.370  0.128  0.521  1.0
  O  O34  1  0.410  0.153  0.012  1.0
  O  O35  1  0.758  0.630  0.188  1.0
  O  O36  1  0.743  0.590  0.679  1.0
  O  O37  1  0.911  0.906  0.996  1.0
  O  O38  1  0.616  0.135  0.656  1.0
  O  O39  1  0.623  0.120  0.155  1.0
  O  O40  1  0.880  0.503  0.488  1.0
  O  O41  1  0.865  0.481  0.989  1.0
  O  O42  1  0.847  0.257  0.346  1.0
  O  O43  1  0.872  0.242  0.854  1.0
  O  O44  1  0.995  0.089  0.663  1.0
[/CIF]
.