The structure described by Nd(HSeO4)3 crystallizes in the hexagonal P6_3/m space group. Nd(1) is bonded in a 9-coordinate geometry to three equivalent O(1) and six equivalent O(2) atoms. H(1) is bonded in a single-bond geometry to one O(3) atom. Se(1) is bonded in a tetrahedral geometry to one O(1), one O(3), and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(3) is bonded in a distorted water-like geometry to one H(1) and one Se(1) atom. In the second O site, O(1) is bonded in a bent 150 degrees geometry to one Nd(1) and one Se(1) atom. In the third O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one Se(1) atom. is represented by the CIF card [CIF]
data_NdH3(SeO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.249
_cell_length_b   9.479
_cell_length_c   9.479
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   486.305
_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
  Nd  Nd0  1  0.750  0.333  0.667  1.0
  Nd  Nd1  1  0.250  0.667  0.333  1.0
  H  H2  1  0.250  0.055  0.164  1.0
  H  H3  1  0.250  0.836  0.891  1.0
  H  H4  1  0.250  0.109  0.945  1.0
  H  H5  1  0.750  0.945  0.836  1.0
  H  H6  1  0.750  0.164  0.109  1.0
  H  H7  1  0.750  0.891  0.055  1.0
  Se  Se8  1  0.750  0.894  0.294  1.0
  Se  Se9  1  0.750  0.706  0.600  1.0
  Se  Se10  1  0.750  0.400  0.106  1.0
  Se  Se11  1  0.250  0.106  0.706  1.0
  Se  Se12  1  0.250  0.294  0.400  1.0
  Se  Se13  1  0.250  0.600  0.894  1.0
  O  O14  1  0.750  0.039  0.481  1.0
  O  O15  1  0.750  0.519  0.558  1.0
  O  O16  1  0.750  0.442  0.961  1.0
  O  O17  1  0.250  0.961  0.519  1.0
  O  O18  1  0.250  0.481  0.442  1.0
  O  O19  1  0.250  0.558  0.039  1.0
  O  O20  1  0.534  0.783  0.238  1.0
  O  O21  1  0.534  0.762  0.546  1.0
  O  O22  1  0.534  0.454  0.217  1.0
  O  O23  1  0.034  0.217  0.762  1.0
  O  O24  1  0.034  0.238  0.454  1.0
  O  O25  1  0.034  0.546  0.783  1.0
  O  O26  1  0.466  0.217  0.762  1.0
  O  O27  1  0.466  0.238  0.454  1.0
  O  O28  1  0.466  0.546  0.783  1.0
  O  O29  1  0.966  0.783  0.238  1.0
  O  O30  1  0.966  0.762  0.546  1.0
  O  O31  1  0.966  0.454  0.217  1.0
  O  O32  1  0.250  0.168  0.185  1.0
  O  O33  1  0.250  0.815  0.983  1.0
  O  O34  1  0.250  0.017  0.832  1.0
  O  O35  1  0.750  0.832  0.815  1.0
  O  O36  1  0.750  0.185  0.017  1.0
  O  O37  1  0.750  0.983  0.168  1.0
[/CIF]
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The structure described by Nd(HSeO4)3 crystallizes in the hexagonal P6_3/m space group. Nd(1) is bonded in a 9-coordinate geometry to three equivalent O(1) and six equivalent O(2) atoms. H(1) is bonded in a single-bond geometry to one O(3) atom. Se(1) is bonded in a tetrahedral geometry to one O(1), one O(3), and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(3) is bonded in a distorted water-like geometry to one H(1) and one Se(1) atom. In the second O site, O(1) is bonded in a bent 150 degrees geometry to one Nd(1) and one Se(1) atom. In the third O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one Se(1) atom. is represented by the CIF card [CIF]
data_NdH3(SeO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.249
_cell_length_b   9.479
_cell_length_c   9.479
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   486.305
_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
  Nd  Nd0  1  0.750  0.333  0.667  1.0
  Nd  Nd1  1  0.250  0.667  0.333  1.0
  H  H2  1  0.250  0.055  0.164  1.0
  H  H3  1  0.250  0.836  0.891  1.0
  H  H4  1  0.250  0.109  0.945  1.0
  H  H5  1  0.750  0.945  0.836  1.0
  H  H6  1  0.750  0.164  0.109  1.0
  H  H7  1  0.750  0.891  0.055  1.0
  Se  Se8  1  0.750  0.894  0.294  1.0
  Se  Se9  1  0.750  0.706  0.600  1.0
  Se  Se10  1  0.750  0.400  0.106  1.0
  Se  Se11  1  0.250  0.106  0.706  1.0
  Se  Se12  1  0.250  0.294  0.400  1.0
  Se  Se13  1  0.250  0.600  0.894  1.0
  O  O14  1  0.750  0.039  0.481  1.0
  O  O15  1  0.750  0.519  0.558  1.0
  O  O16  1  0.750  0.442  0.961  1.0
  O  O17  1  0.250  0.961  0.519  1.0
  O  O18  1  0.250  0.481  0.442  1.0
  O  O19  1  0.250  0.558  0.039  1.0
  O  O20  1  0.534  0.783  0.238  1.0
  O  O21  1  0.534  0.762  0.546  1.0
  O  O22  1  0.534  0.454  0.217  1.0
  O  O23  1  0.034  0.217  0.762  1.0
  O  O24  1  0.034  0.238  0.454  1.0
  O  O25  1  0.034  0.546  0.783  1.0
  O  O26  1  0.466  0.217  0.762  1.0
  O  O27  1  0.466  0.238  0.454  1.0
  O  O28  1  0.466  0.546  0.783  1.0
  O  O29  1  0.966  0.783  0.238  1.0
  O  O30  1  0.966  0.762  0.546  1.0
  O  O31  1  0.966  0.454  0.217  1.0
  O  O32  1  0.250  0.168  0.185  1.0
  O  O33  1  0.250  0.815  0.983  1.0
  O  O34  1  0.250  0.017  0.832  1.0
  O  O35  1  0.750  0.832  0.815  1.0
  O  O36  1  0.750  0.185  0.017  1.0
  O  O37  1  0.750  0.983  0.168  1.0
[/CIF]
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