The material described by NdHSO5 crystallizes in the monoclinic P2_1/c space group. Nd(1) is bonded in a 9-coordinate geometry to one O(2), one O(5), two equivalent O(3), two equivalent O(4), and three equivalent O(1) atoms. H(1) is bonded in a single-bond geometry to one O(1) atom. S(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(4), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to three equivalent Nd(1) and one H(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Nd(1) and one S(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Nd(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Nd(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Nd(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdHSO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.446
_cell_length_b   4.480
_cell_length_c   7.032
_cell_angle_alpha   68.644
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   365.179
_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
  Nd  Nd0  1  0.564  0.336  0.302  1.0
  Nd  Nd1  1  0.064  0.664  0.198  1.0
  Nd  Nd2  1  0.436  0.664  0.698  1.0
  Nd  Nd3  1  0.936  0.336  0.802  1.0
  H  H4  1  0.344  0.290  0.475  1.0
  H  H5  1  0.844  0.710  0.025  1.0
  H  H6  1  0.656  0.710  0.525  1.0
  H  H7  1  0.156  0.290  0.975  1.0
  S  S8  1  0.646  0.094  0.887  1.0
  S  S9  1  0.146  0.906  0.613  1.0
  S  S10  1  0.354  0.906  0.113  1.0
  S  S11  1  0.854  0.094  0.387  1.0
  O  O12  1  0.414  0.264  0.541  1.0
  O  O13  1  0.914  0.736  0.959  1.0
  O  O14  1  0.586  0.736  0.459  1.0
  O  O15  1  0.086  0.264  0.041  1.0
  O  O16  1  0.834  0.800  0.561  1.0
  O  O17  1  0.334  0.200  0.939  1.0
  O  O18  1  0.166  0.200  0.439  1.0
  O  O19  1  0.666  0.800  0.061  1.0
  O  O20  1  0.904  0.028  0.216  1.0
  O  O21  1  0.404  0.972  0.284  1.0
  O  O22  1  0.096  0.972  0.784  1.0
  O  O23  1  0.596  0.028  0.716  1.0
  O  O24  1  0.931  0.300  0.450  1.0
  O  O25  1  0.431  0.700  0.050  1.0
  O  O26  1  0.069  0.700  0.550  1.0
  O  O27  1  0.569  0.300  0.950  1.0
  O  O28  1  0.755  0.272  0.320  1.0
  O  O29  1  0.255  0.728  0.180  1.0
  O  O30  1  0.245  0.728  0.680  1.0
  O  O31  1  0.745  0.272  0.820  1.0
[/CIF]
.
The material described by NdHSO5 crystallizes in the monoclinic P2_1/c space group. Nd(1) is bonded in a 9-coordinate geometry to one O(2), one O(5), two equivalent O(3), two equivalent O(4), and three equivalent O(1) atoms. H(1) is bonded in a single-bond geometry to one O(1) atom. S(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(4), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to three equivalent Nd(1) and one H(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Nd(1) and one S(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Nd(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Nd(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Nd(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdHSO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.446
_cell_length_b   4.480
_cell_length_c   7.032
_cell_angle_alpha   68.644
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   365.179
_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
  Nd  Nd0  1  0.564  0.336  0.302  1.0
  Nd  Nd1  1  0.064  0.664  0.198  1.0
  Nd  Nd2  1  0.436  0.664  0.698  1.0
  Nd  Nd3  1  0.936  0.336  0.802  1.0
  H  H4  1  0.344  0.290  0.475  1.0
  H  H5  1  0.844  0.710  0.025  1.0
  H  H6  1  0.656  0.710  0.525  1.0
  H  H7  1  0.156  0.290  0.975  1.0
  S  S8  1  0.646  0.094  0.887  1.0
  S  S9  1  0.146  0.906  0.613  1.0
  S  S10  1  0.354  0.906  0.113  1.0
  S  S11  1  0.854  0.094  0.387  1.0
  O  O12  1  0.414  0.264  0.541  1.0
  O  O13  1  0.914  0.736  0.959  1.0
  O  O14  1  0.586  0.736  0.459  1.0
  O  O15  1  0.086  0.264  0.041  1.0
  O  O16  1  0.834  0.800  0.561  1.0
  O  O17  1  0.334  0.200  0.939  1.0
  O  O18  1  0.166  0.200  0.439  1.0
  O  O19  1  0.666  0.800  0.061  1.0
  O  O20  1  0.904  0.028  0.216  1.0
  O  O21  1  0.404  0.972  0.284  1.0
  O  O22  1  0.096  0.972  0.784  1.0
  O  O23  1  0.596  0.028  0.716  1.0
  O  O24  1  0.931  0.300  0.450  1.0
  O  O25  1  0.431  0.700  0.050  1.0
  O  O26  1  0.069  0.700  0.550  1.0
  O  O27  1  0.569  0.300  0.950  1.0
  O  O28  1  0.755  0.272  0.320  1.0
  O  O29  1  0.255  0.728  0.180  1.0
  O  O30  1  0.245  0.728  0.680  1.0
  O  O31  1  0.745  0.272  0.820  1.0
[/CIF]
.