The material structure described by NaNi2H3(SO5)2 crystallizes in the monoclinic Cm space group. Na(1) is bonded to one O(2), two equivalent O(4), and two equivalent O(5) atoms to form distorted NaO5 trigonal bipyramids that share corners with two equivalent S(2)O4 tetrahedra and corners with two equivalent Ni(1)O5 trigonal bipyramids. Ni(1) is bonded to one O(1), one O(2), one O(3), one O(6), and one O(7) atom to form NiO5 trigonal bipyramids that share  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one Na(1)O5 trigonal bipyramid,  an edgeedge with one Ni(1)O5 trigonal bipyramid, and  a faceface with one Ni(1)O5 trigonal bipyramid. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(6) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted trigonal non-coplanar geometry to one O(3) and two equivalent O(5) atoms. In the second S site, S(2) is bonded to one O(6), one O(8), and two equivalent O(4) atoms to form SO4 tetrahedra that share corners with two equivalent Na(1)O5 trigonal bipyramids and corners with two equivalent Ni(1)O5 trigonal bipyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ni(1) and one O(7) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Na(1), two equivalent Ni(1), and one H(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Ni(1), one H(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Na(1) and one S(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Na(1) and one S(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Ni(1), one H(3), and one S(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to two equivalent Ni(1) and one O(1) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one S(2) atom. is represented by the CIF card [CIF]
data_NaNi2H3(SO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.278
_cell_length_b   7.278
_cell_length_c   6.335
_cell_angle_alpha   73.227
_cell_angle_beta   73.227
_cell_angle_gamma   48.577
_symmetry_Int_Tables_number   1
_cell_volume   238.698
_cell_formula_units_Z   1
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  0.513  0.513  0.473  1.0
  Ni  Ni1  1  0.998  0.478  0.039  1.0
  Ni  Ni2  1  0.478  0.998  0.039  1.0
  H  H3  1  0.076  0.076  0.063  1.0
  H  H4  1  0.592  0.592  0.007  1.0
  H  H5  1  0.912  0.912  0.968  1.0
  S  S6  1  0.108  0.108  0.662  1.0
  S  S7  1  0.878  0.878  0.342  1.0
  O  O8  1  0.271  0.271  0.219  1.0
  O  O9  1  0.647  0.647  0.079  1.0
  O  O10  1  0.146  0.146  0.950  1.0
  O  O11  1  0.143  0.739  0.320  1.0
  O  O12  1  0.244  0.839  0.704  1.0
  O  O13  1  0.739  0.143  0.320  1.0
  O  O14  1  0.839  0.244  0.704  1.0
  O  O15  1  0.845  0.845  0.094  1.0
  O  O16  1  0.346  0.346  0.984  1.0
  O  O17  1  0.774  0.774  0.503  1.0
[/CIF]
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The material structure described by NaNi2H3(SO5)2 crystallizes in the monoclinic Cm space group. Na(1) is bonded to one O(2), two equivalent O(4), and two equivalent O(5) atoms to form distorted NaO5 trigonal bipyramids that share corners with two equivalent S(2)O4 tetrahedra and corners with two equivalent Ni(1)O5 trigonal bipyramids. Ni(1) is bonded to one O(1), one O(2), one O(3), one O(6), and one O(7) atom to form NiO5 trigonal bipyramids that share  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one Na(1)O5 trigonal bipyramid,  an edgeedge with one Ni(1)O5 trigonal bipyramid, and  a faceface with one Ni(1)O5 trigonal bipyramid. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(6) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted trigonal non-coplanar geometry to one O(3) and two equivalent O(5) atoms. In the second S site, S(2) is bonded to one O(6), one O(8), and two equivalent O(4) atoms to form SO4 tetrahedra that share corners with two equivalent Na(1)O5 trigonal bipyramids and corners with two equivalent Ni(1)O5 trigonal bipyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ni(1) and one O(7) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Na(1), two equivalent Ni(1), and one H(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Ni(1), one H(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Na(1) and one S(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Na(1) and one S(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Ni(1), one H(3), and one S(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to two equivalent Ni(1) and one O(1) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one S(2) atom. is represented by the CIF card [CIF]
data_NaNi2H3(SO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.278
_cell_length_b   7.278
_cell_length_c   6.335
_cell_angle_alpha   73.227
_cell_angle_beta   73.227
_cell_angle_gamma   48.577
_symmetry_Int_Tables_number   1
_cell_volume   238.698
_cell_formula_units_Z   1
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  0.513  0.513  0.473  1.0
  Ni  Ni1  1  0.998  0.478  0.039  1.0
  Ni  Ni2  1  0.478  0.998  0.039  1.0
  H  H3  1  0.076  0.076  0.063  1.0
  H  H4  1  0.592  0.592  0.007  1.0
  H  H5  1  0.912  0.912  0.968  1.0
  S  S6  1  0.108  0.108  0.662  1.0
  S  S7  1  0.878  0.878  0.342  1.0
  O  O8  1  0.271  0.271  0.219  1.0
  O  O9  1  0.647  0.647  0.079  1.0
  O  O10  1  0.146  0.146  0.950  1.0
  O  O11  1  0.143  0.739  0.320  1.0
  O  O12  1  0.244  0.839  0.704  1.0
  O  O13  1  0.739  0.143  0.320  1.0
  O  O14  1  0.839  0.244  0.704  1.0
  O  O15  1  0.845  0.845  0.094  1.0
  O  O16  1  0.346  0.346  0.984  1.0
  O  O17  1  0.774  0.774  0.503  1.0
[/CIF]
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