The structure described by NaLaH2S2O9 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. La(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 distorted single-bond geometry to one Na(1), one La(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 La(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 La(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 La(1), and one S(1) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one La(1) and two equivalent H(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaLaH2S2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.150
_cell_length_b   7.150
_cell_length_c   13.059
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   578.080
_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  0.528  0.528  0.500  1.0
  Na  Na1  1  0.472  0.000  0.833  1.0
  Na  Na2  1  0.000  0.472  0.167  1.0
  La  La3  1  0.564  0.564  0.000  1.0
  La  La4  1  0.000  0.436  0.667  1.0
  La  La5  1  0.436  0.000  0.333  1.0
  H  H6  1  0.047  0.096  0.372  1.0
  H  H7  1  0.049  0.953  0.039  1.0
  H  H8  1  0.951  0.904  0.294  1.0
  H  H9  1  0.953  0.049  0.961  1.0
  H  H10  1  0.096  0.047  0.628  1.0
  H  H11  1  0.904  0.951  0.706  1.0
  S  S12  1  0.453  0.012  0.087  1.0
  S  S13  1  0.988  0.441  0.421  1.0
  S  S14  1  0.547  0.559  0.246  1.0
  S  S15  1  0.559  0.547  0.754  1.0
  S  S16  1  0.441  0.988  0.579  1.0
  S  S17  1  0.012  0.453  0.913  1.0
  O  O18  1  0.880  0.496  0.986  1.0
  O  O19  1  0.873  0.260  0.847  1.0
  O  O20  1  0.131  0.637  0.840  1.0
  O  O21  1  0.740  0.613  0.181  1.0
  O  O22  1  0.837  0.246  0.360  1.0
  O  O23  1  0.387  0.127  0.514  1.0
  O  O24  1  0.127  0.387  0.486  1.0
  O  O25  1  0.363  0.494  0.174  1.0
  O  O26  1  0.754  0.590  0.694  1.0
  O  O27  1  0.506  0.869  0.507  1.0
  O  O28  1  0.163  0.410  0.973  1.0
  O  O29  1  0.590  0.754  0.306  1.0
  O  O30  1  0.000  0.081  0.667  1.0
  O  O31  1  0.384  0.504  0.680  1.0
  O  O32  1  0.120  0.616  0.347  1.0
  O  O33  1  0.504  0.384  0.320  1.0
  O  O34  1  0.246  0.837  0.640  1.0
  O  O35  1  0.081  0.000  0.333  1.0
  O  O36  1  0.494  0.363  0.826  1.0
  O  O37  1  0.869  0.506  0.493  1.0
  O  O38  1  0.919  0.919  0.000  1.0
  O  O39  1  0.496  0.880  0.014  1.0
  O  O40  1  0.613  0.740  0.819  1.0
  O  O41  1  0.260  0.873  0.153  1.0
  O  O42  1  0.410  0.163  0.027  1.0
  O  O43  1  0.616  0.120  0.653  1.0
  O  O44  1  0.637  0.131  0.160  1.0
[/CIF]
.
The structure described by NaLaH2S2O9 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. La(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 distorted single-bond geometry to one Na(1), one La(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 La(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 La(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 La(1), and one S(1) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one La(1) and two equivalent H(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaLaH2S2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.150
_cell_length_b   7.150
_cell_length_c   13.059
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   578.080
_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  0.528  0.528  0.500  1.0
  Na  Na1  1  0.472  0.000  0.833  1.0
  Na  Na2  1  0.000  0.472  0.167  1.0
  La  La3  1  0.564  0.564  0.000  1.0
  La  La4  1  0.000  0.436  0.667  1.0
  La  La5  1  0.436  0.000  0.333  1.0
  H  H6  1  0.047  0.096  0.372  1.0
  H  H7  1  0.049  0.953  0.039  1.0
  H  H8  1  0.951  0.904  0.294  1.0
  H  H9  1  0.953  0.049  0.961  1.0
  H  H10  1  0.096  0.047  0.628  1.0
  H  H11  1  0.904  0.951  0.706  1.0
  S  S12  1  0.453  0.012  0.087  1.0
  S  S13  1  0.988  0.441  0.421  1.0
  S  S14  1  0.547  0.559  0.246  1.0
  S  S15  1  0.559  0.547  0.754  1.0
  S  S16  1  0.441  0.988  0.579  1.0
  S  S17  1  0.012  0.453  0.913  1.0
  O  O18  1  0.880  0.496  0.986  1.0
  O  O19  1  0.873  0.260  0.847  1.0
  O  O20  1  0.131  0.637  0.840  1.0
  O  O21  1  0.740  0.613  0.181  1.0
  O  O22  1  0.837  0.246  0.360  1.0
  O  O23  1  0.387  0.127  0.514  1.0
  O  O24  1  0.127  0.387  0.486  1.0
  O  O25  1  0.363  0.494  0.174  1.0
  O  O26  1  0.754  0.590  0.694  1.0
  O  O27  1  0.506  0.869  0.507  1.0
  O  O28  1  0.163  0.410  0.973  1.0
  O  O29  1  0.590  0.754  0.306  1.0
  O  O30  1  0.000  0.081  0.667  1.0
  O  O31  1  0.384  0.504  0.680  1.0
  O  O32  1  0.120  0.616  0.347  1.0
  O  O33  1  0.504  0.384  0.320  1.0
  O  O34  1  0.246  0.837  0.640  1.0
  O  O35  1  0.081  0.000  0.333  1.0
  O  O36  1  0.494  0.363  0.826  1.0
  O  O37  1  0.869  0.506  0.493  1.0
  O  O38  1  0.919  0.919  0.000  1.0
  O  O39  1  0.496  0.880  0.014  1.0
  O  O40  1  0.613  0.740  0.819  1.0
  O  O41  1  0.260  0.873  0.153  1.0
  O  O42  1  0.410  0.163  0.027  1.0
  O  O43  1  0.616  0.120  0.653  1.0
  O  O44  1  0.637  0.131  0.160  1.0
[/CIF]
.