The material structure described by NaHSeO3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Na sites. In the first Na site, 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 a mixture of corner and edge-sharing NaO6 octahedra. In the second Na site, Na(2) is bonded to one O(1), one O(4), one O(5), and two equivalent O(3) atoms to form distorted NaO5 trigonal bipyramids that share corners with three equivalent Na(1)O6 octahedra, corners with two equivalent Na(2)O5 trigonal bipyramids, and  an edgeedge with one Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-80°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one O(4) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(2) and 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(2), one O(5), and one O(6) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(1), one O(3), and one O(4) atom. There are six inequivalent O sites. In the first O site, O(5) is bonded in a trigonal planar geometry to one Na(1), one Na(2), and one Se(1) atom. In the second O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one H(2), and one Se(1) atom. In the third O site, O(1) is bonded to one Na(1), one Na(2), one H(1), and one Se(2) atom to form a mixture of distorted corner and edge-sharing ONa2HSe trigonal pyramids. In the fourth O site, O(2) is bonded in a distorted single-bond geometry to one Na(1), one H(2), and one Se(1) atom. In the fifth O site, O(3) is bonded to one Na(1), two equivalent Na(2), and one Se(2) atom to form distorted ONa3Se tetrahedra that share corners with two equivalent O(3)Na3Se tetrahedra, corners with two equivalent O(1)Na2HSe trigonal pyramids, and  an edgeedge with one O(1)Na2HSe trigonal pyramid. In the sixth O site, O(4) is bonded in a distorted single-bond geometry to one Na(1), one Na(2), one H(1), and one Se(2) atom. is represented by the CIF file [CIF]
data_NaHSeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.598
_cell_length_b   11.598
_cell_length_c   10.510
_cell_angle_alpha   74.981
_cell_angle_beta   74.981
_cell_angle_gamma   29.602
_symmetry_Int_Tables_number   1
_cell_volume   672.824
_cell_formula_units_Z   8
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  0.870  0.380  0.670  1.0
  Na  Na1  1  0.620  0.130  0.830  1.0
  Na  Na2  1  0.130  0.620  0.330  1.0
  Na  Na3  1  0.380  0.870  0.170  1.0
  Na  Na4  1  0.088  0.519  0.719  1.0
  Na  Na5  1  0.481  0.912  0.781  1.0
  Na  Na6  1  0.912  0.481  0.281  1.0
  Na  Na7  1  0.519  0.088  0.219  1.0
  H  H8  1  0.228  0.256  0.980  1.0
  H  H9  1  0.744  0.772  0.520  1.0
  H  H10  1  0.772  0.744  0.020  1.0
  H  H11  1  0.256  0.228  0.480  1.0
  H  H12  1  0.685  0.330  0.598  1.0
  H  H13  1  0.670  0.315  0.902  1.0
  H  H14  1  0.315  0.670  0.402  1.0
  H  H15  1  0.330  0.685  0.098  1.0
  Se  Se16  1  0.203  0.720  0.626  1.0
  Se  Se17  1  0.280  0.797  0.874  1.0
  Se  Se18  1  0.797  0.280  0.374  1.0
  Se  Se19  1  0.720  0.203  0.126  1.0
  Se  Se20  1  0.919  0.395  0.967  1.0
  Se  Se21  1  0.605  0.081  0.533  1.0
  Se  Se22  1  0.081  0.605  0.033  1.0
  Se  Se23  1  0.395  0.919  0.467  1.0
  O  O24  1  0.762  0.610  0.060  1.0
  O  O25  1  0.390  0.238  0.440  1.0
  O  O26  1  0.238  0.390  0.940  1.0
  O  O27  1  0.610  0.762  0.560  1.0
  O  O28  1  0.190  0.720  0.454  1.0
  O  O29  1  0.280  0.810  0.046  1.0
  O  O30  1  0.810  0.280  0.546  1.0
  O  O31  1  0.720  0.190  0.954  1.0
  O  O32  1  0.891  0.503  0.810  1.0
  O  O33  1  0.497  0.109  0.690  1.0
  O  O34  1  0.109  0.497  0.190  1.0
  O  O35  1  0.503  0.891  0.310  1.0
  O  O36  1  0.222  0.170  0.992  1.0
  O  O37  1  0.830  0.778  0.508  1.0
  O  O38  1  0.778  0.830  0.008  1.0
  O  O39  1  0.170  0.222  0.492  1.0
  O  O40  1  0.990  0.806  0.697  1.0
  O  O41  1  0.194  0.010  0.803  1.0
  O  O42  1  0.010  0.194  0.303  1.0
  O  O43  1  0.806  0.990  0.197  1.0
  O  O44  1  0.459  0.428  0.665  1.0
  O  O45  1  0.572  0.541  0.835  1.0
  O  O46  1  0.541  0.572  0.335  1.0
  O  O47  1  0.428  0.459  0.165  1.0
[/CIF]
.
The material structure described by NaHSeO3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Na sites. In the first Na site, 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 a mixture of corner and edge-sharing NaO6 octahedra. In the second Na site, Na(2) is bonded to one O(1), one O(4), one O(5), and two equivalent O(3) atoms to form distorted NaO5 trigonal bipyramids that share corners with three equivalent Na(1)O6 octahedra, corners with two equivalent Na(2)O5 trigonal bipyramids, and  an edgeedge with one Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-80°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one O(4) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(2) and 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(2), one O(5), and one O(6) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(1), one O(3), and one O(4) atom. There are six inequivalent O sites. In the first O site, O(5) is bonded in a trigonal planar geometry to one Na(1), one Na(2), and one Se(1) atom. In the second O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one H(2), and one Se(1) atom. In the third O site, O(1) is bonded to one Na(1), one Na(2), one H(1), and one Se(2) atom to form a mixture of distorted corner and edge-sharing ONa2HSe trigonal pyramids. In the fourth O site, O(2) is bonded in a distorted single-bond geometry to one Na(1), one H(2), and one Se(1) atom. In the fifth O site, O(3) is bonded to one Na(1), two equivalent Na(2), and one Se(2) atom to form distorted ONa3Se tetrahedra that share corners with two equivalent O(3)Na3Se tetrahedra, corners with two equivalent O(1)Na2HSe trigonal pyramids, and  an edgeedge with one O(1)Na2HSe trigonal pyramid. In the sixth O site, O(4) is bonded in a distorted single-bond geometry to one Na(1), one Na(2), one H(1), and one Se(2) atom. is represented by the CIF file [CIF]
data_NaHSeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.598
_cell_length_b   11.598
_cell_length_c   10.510
_cell_angle_alpha   74.981
_cell_angle_beta   74.981
_cell_angle_gamma   29.602
_symmetry_Int_Tables_number   1
_cell_volume   672.824
_cell_formula_units_Z   8
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  0.870  0.380  0.670  1.0
  Na  Na1  1  0.620  0.130  0.830  1.0
  Na  Na2  1  0.130  0.620  0.330  1.0
  Na  Na3  1  0.380  0.870  0.170  1.0
  Na  Na4  1  0.088  0.519  0.719  1.0
  Na  Na5  1  0.481  0.912  0.781  1.0
  Na  Na6  1  0.912  0.481  0.281  1.0
  Na  Na7  1  0.519  0.088  0.219  1.0
  H  H8  1  0.228  0.256  0.980  1.0
  H  H9  1  0.744  0.772  0.520  1.0
  H  H10  1  0.772  0.744  0.020  1.0
  H  H11  1  0.256  0.228  0.480  1.0
  H  H12  1  0.685  0.330  0.598  1.0
  H  H13  1  0.670  0.315  0.902  1.0
  H  H14  1  0.315  0.670  0.402  1.0
  H  H15  1  0.330  0.685  0.098  1.0
  Se  Se16  1  0.203  0.720  0.626  1.0
  Se  Se17  1  0.280  0.797  0.874  1.0
  Se  Se18  1  0.797  0.280  0.374  1.0
  Se  Se19  1  0.720  0.203  0.126  1.0
  Se  Se20  1  0.919  0.395  0.967  1.0
  Se  Se21  1  0.605  0.081  0.533  1.0
  Se  Se22  1  0.081  0.605  0.033  1.0
  Se  Se23  1  0.395  0.919  0.467  1.0
  O  O24  1  0.762  0.610  0.060  1.0
  O  O25  1  0.390  0.238  0.440  1.0
  O  O26  1  0.238  0.390  0.940  1.0
  O  O27  1  0.610  0.762  0.560  1.0
  O  O28  1  0.190  0.720  0.454  1.0
  O  O29  1  0.280  0.810  0.046  1.0
  O  O30  1  0.810  0.280  0.546  1.0
  O  O31  1  0.720  0.190  0.954  1.0
  O  O32  1  0.891  0.503  0.810  1.0
  O  O33  1  0.497  0.109  0.690  1.0
  O  O34  1  0.109  0.497  0.190  1.0
  O  O35  1  0.503  0.891  0.310  1.0
  O  O36  1  0.222  0.170  0.992  1.0
  O  O37  1  0.830  0.778  0.508  1.0
  O  O38  1  0.778  0.830  0.008  1.0
  O  O39  1  0.170  0.222  0.492  1.0
  O  O40  1  0.990  0.806  0.697  1.0
  O  O41  1  0.194  0.010  0.803  1.0
  O  O42  1  0.010  0.194  0.303  1.0
  O  O43  1  0.806  0.990  0.197  1.0
  O  O44  1  0.459  0.428  0.665  1.0
  O  O45  1  0.572  0.541  0.835  1.0
  O  O46  1  0.541  0.572  0.335  1.0
  O  O47  1  0.428  0.459  0.165  1.0
[/CIF]
.