The material described by NaH3(SeO3)2 crystallizes in the monoclinic Pc space group. Na(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(3) and one O(6) atom. In the second H site, H(2) is bonded in a linear geometry to one O(4) and one O(5) atom. In the third H site, H(3) is bonded in a linear geometry to one O(1) and one O(2) 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(3), and one O(5) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(1), one O(4), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Na(1), one H(3), and one Se(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one H(3), and one Se(1) 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(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one H(2), and one Se(2) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Na(1), one H(2), and one Se(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one H(1), and one Se(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaH3(SeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.887
_cell_length_b   5.840
_cell_length_c   11.892
_cell_angle_alpha   62.028
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   299.794
_cell_formula_units_Z   2
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  0.753  0.994  0.500  1.0
  Na  Na1  1  0.247  0.994  1.000  1.0
  H  H2  1  0.250  0.742  0.673  1.0
  H  H3  1  0.750  0.742  0.173  1.0
  H  H4  1  0.222  0.272  0.331  1.0
  H  H5  1  0.778  0.272  0.831  1.0
  H  H6  1  0.720  0.470  0.513  1.0
  H  H7  1  0.280  0.470  0.013  1.0
  Se  Se8  1  0.360  0.336  0.672  1.0
  Se  Se9  1  0.640  0.336  0.172  1.0
  Se  Se10  1  0.133  0.669  0.331  1.0
  Se  Se11  1  0.867  0.669  0.831  1.0
  O  O12  1  0.058  0.667  0.950  1.0
  O  O13  1  0.942  0.667  0.450  1.0
  O  O14  1  0.432  0.328  0.050  1.0
  O  O15  1  0.568  0.328  0.550  1.0
  O  O16  1  0.552  0.649  0.147  1.0
  O  O17  1  0.448  0.649  0.647  1.0
  O  O18  1  0.953  0.347  0.854  1.0
  O  O19  1  0.047  0.347  0.354  1.0
  O  O20  1  0.536  0.144  0.806  1.0
  O  O21  1  0.464  0.144  0.306  1.0
  O  O22  1  0.946  0.850  0.192  1.0
  O  O23  1  0.054  0.850  0.692  1.0
[/CIF]
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The material described by NaH3(SeO3)2 crystallizes in the monoclinic Pc space group. Na(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(3) and one O(6) atom. In the second H site, H(2) is bonded in a linear geometry to one O(4) and one O(5) atom. In the third H site, H(3) is bonded in a linear geometry to one O(1) and one O(2) 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(3), and one O(5) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(1), one O(4), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Na(1), one H(3), and one Se(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one H(3), and one Se(1) 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(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one H(2), and one Se(2) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Na(1), one H(2), and one Se(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one H(1), and one Se(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaH3(SeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.887
_cell_length_b   5.840
_cell_length_c   11.892
_cell_angle_alpha   62.028
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   299.794
_cell_formula_units_Z   2
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  0.753  0.994  0.500  1.0
  Na  Na1  1  0.247  0.994  1.000  1.0
  H  H2  1  0.250  0.742  0.673  1.0
  H  H3  1  0.750  0.742  0.173  1.0
  H  H4  1  0.222  0.272  0.331  1.0
  H  H5  1  0.778  0.272  0.831  1.0
  H  H6  1  0.720  0.470  0.513  1.0
  H  H7  1  0.280  0.470  0.013  1.0
  Se  Se8  1  0.360  0.336  0.672  1.0
  Se  Se9  1  0.640  0.336  0.172  1.0
  Se  Se10  1  0.133  0.669  0.331  1.0
  Se  Se11  1  0.867  0.669  0.831  1.0
  O  O12  1  0.058  0.667  0.950  1.0
  O  O13  1  0.942  0.667  0.450  1.0
  O  O14  1  0.432  0.328  0.050  1.0
  O  O15  1  0.568  0.328  0.550  1.0
  O  O16  1  0.552  0.649  0.147  1.0
  O  O17  1  0.448  0.649  0.647  1.0
  O  O18  1  0.953  0.347  0.854  1.0
  O  O19  1  0.047  0.347  0.354  1.0
  O  O20  1  0.536  0.144  0.806  1.0
  O  O21  1  0.464  0.144  0.306  1.0
  O  O22  1  0.946  0.850  0.192  1.0
  O  O23  1  0.054  0.850  0.692  1.0
[/CIF]
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