The material structure described by NaH2SeO4 crystallizes in the orthorhombic Cmc2_1 space group. Na(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NaO6 octahedra that share corners with three equivalent Se(2)O4 tetrahedra and edges with two equivalent Na(1)O6 octahedra. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(3) and one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(6) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(6) atom. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(5) and two equivalent O(4) atoms. In the second Se site, Se(2) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form SeO4 tetrahedra that share corners with six equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one Se(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Na(1) and one Se(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one H(1), and one Se(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Na(1), one H(1), and one Se(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one Se(1) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to two equivalent Na(1), one H(2), and one H(3) atom. is represented by the CIF file [CIF]
data_NaH2SeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.656
_cell_length_b   6.656
_cell_length_c   9.817
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   117.036
_symmetry_Int_Tables_number   1
_cell_volume   387.397
_cell_formula_units_Z   4
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  0.596  0.929  0.577  1.0
  Na  Na1  1  0.071  0.404  0.577  1.0
  Na  Na2  1  0.404  0.071  0.077  1.0
  Na  Na3  1  0.929  0.596  0.077  1.0
  H  H4  1  0.652  0.825  0.047  1.0
  H  H5  1  0.175  0.348  0.047  1.0
  H  H6  1  0.348  0.175  0.547  1.0
  H  H7  1  0.825  0.652  0.547  1.0
  H  H8  1  0.684  0.316  0.773  1.0
  H  H9  1  0.316  0.684  0.273  1.0
  H  H10  1  0.814  0.186  0.820  1.0
  H  H11  1  0.186  0.814  0.320  1.0
  Se  Se12  1  0.436  0.564  0.881  1.0
  Se  Se13  1  0.564  0.436  0.381  1.0
  Se  Se14  1  0.096  0.904  0.749  1.0
  Se  Se15  1  0.904  0.096  0.249  1.0
  O  O16  1  0.232  0.768  0.683  1.0
  O  O17  1  0.768  0.232  0.183  1.0
  O  O18  1  0.099  0.901  0.918  1.0
  O  O19  1  0.901  0.099  0.418  1.0
  O  O20  1  0.223  0.173  0.693  1.0
  O  O21  1  0.827  0.777  0.693  1.0
  O  O22  1  0.777  0.827  0.193  1.0
  O  O23  1  0.173  0.223  0.193  1.0
  O  O24  1  0.563  0.835  0.965  1.0
  O  O25  1  0.165  0.437  0.965  1.0
  O  O26  1  0.437  0.165  0.465  1.0
  O  O27  1  0.835  0.563  0.465  1.0
  O  O28  1  0.568  0.432  0.957  1.0
  O  O29  1  0.432  0.568  0.457  1.0
  O  O30  1  0.765  0.235  0.738  1.0
  O  O31  1  0.235  0.765  0.238  1.0
[/CIF]
.
The material structure described by NaH2SeO4 crystallizes in the orthorhombic Cmc2_1 space group. Na(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NaO6 octahedra that share corners with three equivalent Se(2)O4 tetrahedra and edges with two equivalent Na(1)O6 octahedra. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(3) and one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(6) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(6) atom. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(5) and two equivalent O(4) atoms. In the second Se site, Se(2) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form SeO4 tetrahedra that share corners with six equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one Se(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Na(1) and one Se(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one H(1), and one Se(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Na(1), one H(1), and one Se(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one Se(1) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to two equivalent Na(1), one H(2), and one H(3) atom. is represented by the CIF file [CIF]
data_NaH2SeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.656
_cell_length_b   6.656
_cell_length_c   9.817
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   117.036
_symmetry_Int_Tables_number   1
_cell_volume   387.397
_cell_formula_units_Z   4
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  0.596  0.929  0.577  1.0
  Na  Na1  1  0.071  0.404  0.577  1.0
  Na  Na2  1  0.404  0.071  0.077  1.0
  Na  Na3  1  0.929  0.596  0.077  1.0
  H  H4  1  0.652  0.825  0.047  1.0
  H  H5  1  0.175  0.348  0.047  1.0
  H  H6  1  0.348  0.175  0.547  1.0
  H  H7  1  0.825  0.652  0.547  1.0
  H  H8  1  0.684  0.316  0.773  1.0
  H  H9  1  0.316  0.684  0.273  1.0
  H  H10  1  0.814  0.186  0.820  1.0
  H  H11  1  0.186  0.814  0.320  1.0
  Se  Se12  1  0.436  0.564  0.881  1.0
  Se  Se13  1  0.564  0.436  0.381  1.0
  Se  Se14  1  0.096  0.904  0.749  1.0
  Se  Se15  1  0.904  0.096  0.249  1.0
  O  O16  1  0.232  0.768  0.683  1.0
  O  O17  1  0.768  0.232  0.183  1.0
  O  O18  1  0.099  0.901  0.918  1.0
  O  O19  1  0.901  0.099  0.418  1.0
  O  O20  1  0.223  0.173  0.693  1.0
  O  O21  1  0.827  0.777  0.693  1.0
  O  O22  1  0.777  0.827  0.193  1.0
  O  O23  1  0.173  0.223  0.193  1.0
  O  O24  1  0.563  0.835  0.965  1.0
  O  O25  1  0.165  0.437  0.965  1.0
  O  O26  1  0.437  0.165  0.465  1.0
  O  O27  1  0.835  0.563  0.465  1.0
  O  O28  1  0.568  0.432  0.957  1.0
  O  O29  1  0.432  0.568  0.457  1.0
  O  O30  1  0.765  0.235  0.738  1.0
  O  O31  1  0.235  0.765  0.238  1.0
[/CIF]
.