The material described by Na2NiH4(SeO5)2 crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 7-coordinate geometry to one O(2), one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms. Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with four equivalent Se(1)O4 tetrahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(5) atom. Se(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SeO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Ni(1), and one Se(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Na(1), one Ni(1), and one Se(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Na(1) and one Se(1) atom. In the fifth 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. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2NiH4(SeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.614
_cell_length_b   6.006
_cell_length_c   7.508
_cell_angle_alpha   110.023
_cell_angle_beta   99.309
_cell_angle_gamma   106.195
_symmetry_Int_Tables_number   1
_cell_volume   218.900
_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  0.336  0.708  0.251  1.0
  Na  Na1  1  0.664  0.292  0.749  1.0
  Ni  Ni2  1  0.000  0.000  0.000  1.0
  H  H3  1  0.854  0.874  0.621  1.0
  H  H4  1  0.146  0.126  0.379  1.0
  H  H5  1  0.082  0.142  0.716  1.0
  H  H6  1  0.918  0.858  0.284  1.0
  Se  Se7  1  0.339  0.667  0.763  1.0
  Se  Se8  1  0.661  0.333  0.237  1.0
  O  O9  1  0.104  0.679  0.878  1.0
  O  O10  1  0.896  0.321  0.122  1.0
  O  O11  1  0.619  0.759  0.937  1.0
  O  O12  1  0.381  0.241  0.063  1.0
  O  O13  1  0.356  0.834  0.627  1.0
  O  O14  1  0.644  0.166  0.373  1.0
  O  O15  1  0.275  0.358  0.629  1.0
  O  O16  1  0.725  0.642  0.371  1.0
  O  O17  1  0.927  0.039  0.739  1.0
  O  O18  1  0.073  0.961  0.261  1.0
[/CIF]
.
The material described by Na2NiH4(SeO5)2 crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 7-coordinate geometry to one O(2), one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms. Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with four equivalent Se(1)O4 tetrahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(5) atom. Se(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SeO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Ni(1), and one Se(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Na(1), one Ni(1), and one Se(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Na(1) and one Se(1) atom. In the fifth 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. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2NiH4(SeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.614
_cell_length_b   6.006
_cell_length_c   7.508
_cell_angle_alpha   110.023
_cell_angle_beta   99.309
_cell_angle_gamma   106.195
_symmetry_Int_Tables_number   1
_cell_volume   218.900
_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  0.336  0.708  0.251  1.0
  Na  Na1  1  0.664  0.292  0.749  1.0
  Ni  Ni2  1  0.000  0.000  0.000  1.0
  H  H3  1  0.854  0.874  0.621  1.0
  H  H4  1  0.146  0.126  0.379  1.0
  H  H5  1  0.082  0.142  0.716  1.0
  H  H6  1  0.918  0.858  0.284  1.0
  Se  Se7  1  0.339  0.667  0.763  1.0
  Se  Se8  1  0.661  0.333  0.237  1.0
  O  O9  1  0.104  0.679  0.878  1.0
  O  O10  1  0.896  0.321  0.122  1.0
  O  O11  1  0.619  0.759  0.937  1.0
  O  O12  1  0.381  0.241  0.063  1.0
  O  O13  1  0.356  0.834  0.627  1.0
  O  O14  1  0.644  0.166  0.373  1.0
  O  O15  1  0.275  0.358  0.629  1.0
  O  O16  1  0.725  0.642  0.371  1.0
  O  O17  1  0.927  0.039  0.739  1.0
  O  O18  1  0.073  0.961  0.261  1.0
[/CIF]
.