The material described by Na2NiH8(SO6)2 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded to one O(1), one O(4), one O(5), one O(6), and two equivalent O(2) atoms to form distorted NaO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent S(1)O4 tetrahedra, and  an edgeedge with one Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-65°. Ni(1) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with four equivalent Na(1)O6 octahedra and corners with two equivalent S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-65°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) and one O(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) and one O(5) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(6) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(6) atom. S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra and corners with four equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-60°. There are six inequivalent O sites. In the first O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one S(1) atom. In the second O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one H(2), and one S(1) atom. In the third O site, O(5) is bonded in a distorted water-like geometry to one Na(1), one Ni(1), one H(1), and one H(2) atom. In the fourth O site, O(6) is bonded in a distorted water-like geometry to one Na(1), one Ni(1), one H(3), and one H(4) atom. In the fifth O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one H(1), and one S(1) atom. In the sixth O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one S(1) atom. is represented by the CIF card [CIF]
data_Na2NiH8(SO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.259
_cell_length_b   5.567
_cell_length_c   11.125
_cell_angle_alpha   80.044
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   503.854
_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  0.071  0.123  0.639  1.0
  Na  Na1  1  0.571  0.877  0.861  1.0
  Na  Na2  1  0.929  0.877  0.361  1.0
  Na  Na3  1  0.429  0.123  0.139  1.0
  Ni  Ni4  1  0.000  0.000  0.000  1.0
  Ni  Ni5  1  0.500  0.000  0.500  1.0
  H  H6  1  0.944  0.766  0.821  1.0
  H  H7  1  0.444  0.234  0.679  1.0
  H  H8  1  0.056  0.234  0.179  1.0
  H  H9  1  0.556  0.766  0.321  1.0
  H  H10  1  0.136  0.773  0.847  1.0
  H  H11  1  0.636  0.227  0.653  1.0
  H  H12  1  0.864  0.227  0.153  1.0
  H  H13  1  0.364  0.773  0.347  1.0
  H  H14  1  0.307  0.678  0.640  1.0
  H  H15  1  0.807  0.322  0.860  1.0
  H  H16  1  0.693  0.322  0.360  1.0
  H  H17  1  0.193  0.678  0.140  1.0
  H  H18  1  0.225  0.764  0.515  1.0
  H  H19  1  0.725  0.236  0.985  1.0
  H  H20  1  0.775  0.236  0.485  1.0
  H  H21  1  0.275  0.764  0.015  1.0
  S  S22  1  0.286  0.376  0.864  1.0
  S  S23  1  0.786  0.624  0.636  1.0
  S  S24  1  0.714  0.624  0.136  1.0
  S  S25  1  0.214  0.376  0.364  1.0
  O  O26  1  0.275  0.363  0.730  1.0
  O  O27  1  0.775  0.637  0.770  1.0
  O  O28  1  0.725  0.637  0.270  1.0
  O  O29  1  0.225  0.363  0.230  1.0
  O  O30  1  0.414  0.213  0.922  1.0
  O  O31  1  0.914  0.787  0.578  1.0
  O  O32  1  0.586  0.787  0.078  1.0
  O  O33  1  0.086  0.213  0.422  1.0
  O  O34  1  0.126  0.315  0.923  1.0
  O  O35  1  0.626  0.685  0.577  1.0
  O  O36  1  0.874  0.685  0.077  1.0
  O  O37  1  0.374  0.315  0.423  1.0
  O  O38  1  0.322  0.638  0.874  1.0
  O  O39  1  0.822  0.362  0.626  1.0
  O  O40  1  0.678  0.362  0.126  1.0
  O  O41  1  0.178  0.638  0.374  1.0
  O  O42  1  0.035  0.873  0.839  1.0
  O  O43  1  0.535  0.127  0.661  1.0
  O  O44  1  0.965  0.127  0.161  1.0
  O  O45  1  0.465  0.873  0.339  1.0
  O  O46  1  0.287  0.827  0.579  1.0
  O  O47  1  0.787  0.173  0.921  1.0
  O  O48  1  0.713  0.173  0.421  1.0
  O  O49  1  0.213  0.827  0.079  1.0
[/CIF]
.
The material described by Na2NiH8(SO6)2 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded to one O(1), one O(4), one O(5), one O(6), and two equivalent O(2) atoms to form distorted NaO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent S(1)O4 tetrahedra, and  an edgeedge with one Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-65°. Ni(1) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with four equivalent Na(1)O6 octahedra and corners with two equivalent S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-65°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) and one O(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) and one O(5) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(6) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(6) atom. S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra and corners with four equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-60°. There are six inequivalent O sites. In the first O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one S(1) atom. In the second O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one H(2), and one S(1) atom. In the third O site, O(5) is bonded in a distorted water-like geometry to one Na(1), one Ni(1), one H(1), and one H(2) atom. In the fourth O site, O(6) is bonded in a distorted water-like geometry to one Na(1), one Ni(1), one H(3), and one H(4) atom. In the fifth O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one H(1), and one S(1) atom. In the sixth O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one S(1) atom. is represented by the CIF card [CIF]
data_Na2NiH8(SO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.259
_cell_length_b   5.567
_cell_length_c   11.125
_cell_angle_alpha   80.044
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   503.854
_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  0.071  0.123  0.639  1.0
  Na  Na1  1  0.571  0.877  0.861  1.0
  Na  Na2  1  0.929  0.877  0.361  1.0
  Na  Na3  1  0.429  0.123  0.139  1.0
  Ni  Ni4  1  0.000  0.000  0.000  1.0
  Ni  Ni5  1  0.500  0.000  0.500  1.0
  H  H6  1  0.944  0.766  0.821  1.0
  H  H7  1  0.444  0.234  0.679  1.0
  H  H8  1  0.056  0.234  0.179  1.0
  H  H9  1  0.556  0.766  0.321  1.0
  H  H10  1  0.136  0.773  0.847  1.0
  H  H11  1  0.636  0.227  0.653  1.0
  H  H12  1  0.864  0.227  0.153  1.0
  H  H13  1  0.364  0.773  0.347  1.0
  H  H14  1  0.307  0.678  0.640  1.0
  H  H15  1  0.807  0.322  0.860  1.0
  H  H16  1  0.693  0.322  0.360  1.0
  H  H17  1  0.193  0.678  0.140  1.0
  H  H18  1  0.225  0.764  0.515  1.0
  H  H19  1  0.725  0.236  0.985  1.0
  H  H20  1  0.775  0.236  0.485  1.0
  H  H21  1  0.275  0.764  0.015  1.0
  S  S22  1  0.286  0.376  0.864  1.0
  S  S23  1  0.786  0.624  0.636  1.0
  S  S24  1  0.714  0.624  0.136  1.0
  S  S25  1  0.214  0.376  0.364  1.0
  O  O26  1  0.275  0.363  0.730  1.0
  O  O27  1  0.775  0.637  0.770  1.0
  O  O28  1  0.725  0.637  0.270  1.0
  O  O29  1  0.225  0.363  0.230  1.0
  O  O30  1  0.414  0.213  0.922  1.0
  O  O31  1  0.914  0.787  0.578  1.0
  O  O32  1  0.586  0.787  0.078  1.0
  O  O33  1  0.086  0.213  0.422  1.0
  O  O34  1  0.126  0.315  0.923  1.0
  O  O35  1  0.626  0.685  0.577  1.0
  O  O36  1  0.874  0.685  0.077  1.0
  O  O37  1  0.374  0.315  0.423  1.0
  O  O38  1  0.322  0.638  0.874  1.0
  O  O39  1  0.822  0.362  0.626  1.0
  O  O40  1  0.678  0.362  0.126  1.0
  O  O41  1  0.178  0.638  0.374  1.0
  O  O42  1  0.035  0.873  0.839  1.0
  O  O43  1  0.535  0.127  0.661  1.0
  O  O44  1  0.965  0.127  0.161  1.0
  O  O45  1  0.465  0.873  0.339  1.0
  O  O46  1  0.287  0.827  0.579  1.0
  O  O47  1  0.787  0.173  0.921  1.0
  O  O48  1  0.713  0.173  0.421  1.0
  O  O49  1  0.213  0.827  0.079  1.0
[/CIF]
.