The structure described by KLiNi2H3(SeO5)2 crystallizes in the monoclinic Cm space group. K(1) is bonded in a 7-coordinate geometry to one O(1), one O(7), one O(8), two equivalent O(3), and two equivalent O(4) atoms. Li(1) is bonded to one O(2), one O(6), and two equivalent O(3) atoms to form distorted LiO4 tetrahedra that share corners with four equivalent Ni(1)O6 octahedra,  a cornercorner with one Se(2)O4 tetrahedra, and corners with two equivalent Se(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-68°. Ni(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form NiO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Se(1)O4 tetrahedra, corners with two equivalent Se(2)O4 tetrahedra, and edges with two equivalent Ni(1)O6 octahedra. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted 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(6) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(5) atom. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one O(1), one O(7), and two equivalent O(3) atoms to form distorted SeO4 tetrahedra that share corners with four equivalent Ni(1)O6 octahedra and corners with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-61°. In the second Se site, Se(2) is bonded to one O(2), one O(8), and two equivalent O(4) atoms to form SeO4 tetrahedra that share corners with four equivalent Ni(1)O6 octahedra and  a cornercorner with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-52°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(1), one H(1), and one Se(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Li(1) and one Se(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one Li(1), one Ni(1), and one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one K(1), one Ni(1), and one Se(2) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to two equivalent Ni(1), one H(1), and one H(3) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Li(1), two equivalent Ni(1), and one H(2) atom. In the seventh O site, O(7) is bonded in a distorted tetrahedral geometry to one K(1), two equivalent Ni(1), and one Se(1) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one K(1), two equivalent Ni(1), and one Se(2) atom. is represented by the CIF file [CIF]
data_KLiNi2H3(SeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.970
_cell_length_b   5.970
_cell_length_c   8.069
_cell_angle_alpha   65.351
_cell_angle_beta   65.351
_cell_angle_gamma   63.475
_symmetry_Int_Tables_number   1
_cell_volume   224.278
_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
  K  K0  1  0.514  0.514  0.532  1.0
  Li  Li1  1  0.404  0.404  0.262  1.0
  Ni  Ni2  1  0.988  0.500  0.017  1.0
  Ni  Ni3  1  0.500  0.988  0.017  1.0
  H  H4  1  0.755  0.755  0.720  1.0
  H  H5  1  0.201  0.201  0.254  1.0
  H  H6  1  0.590  0.590  0.892  1.0
  Se  Se7  1  0.910  0.910  0.264  1.0
  Se  Se8  1  0.090  0.090  0.745  1.0
  O  O9  1  0.793  0.793  0.500  1.0
  O  O10  1  0.203  0.203  0.513  1.0
  O  O11  1  0.253  0.786  0.234  1.0
  O  O12  1  0.786  0.253  0.234  1.0
  O  O13  1  0.761  0.199  0.810  1.0
  O  O14  1  0.199  0.761  0.810  1.0
  O  O15  1  0.696  0.696  0.865  1.0
  O  O16  1  0.291  0.291  0.128  1.0
  O  O17  1  0.749  0.749  0.174  1.0
  O  O18  1  0.200  0.200  0.851  1.0
[/CIF]
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The structure described by KLiNi2H3(SeO5)2 crystallizes in the monoclinic Cm space group. K(1) is bonded in a 7-coordinate geometry to one O(1), one O(7), one O(8), two equivalent O(3), and two equivalent O(4) atoms. Li(1) is bonded to one O(2), one O(6), and two equivalent O(3) atoms to form distorted LiO4 tetrahedra that share corners with four equivalent Ni(1)O6 octahedra,  a cornercorner with one Se(2)O4 tetrahedra, and corners with two equivalent Se(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-68°. Ni(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form NiO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Se(1)O4 tetrahedra, corners with two equivalent Se(2)O4 tetrahedra, and edges with two equivalent Ni(1)O6 octahedra. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted 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(6) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(5) atom. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one O(1), one O(7), and two equivalent O(3) atoms to form distorted SeO4 tetrahedra that share corners with four equivalent Ni(1)O6 octahedra and corners with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-61°. In the second Se site, Se(2) is bonded to one O(2), one O(8), and two equivalent O(4) atoms to form SeO4 tetrahedra that share corners with four equivalent Ni(1)O6 octahedra and  a cornercorner with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-52°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(1), one H(1), and one Se(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Li(1) and one Se(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one Li(1), one Ni(1), and one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one K(1), one Ni(1), and one Se(2) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to two equivalent Ni(1), one H(1), and one H(3) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Li(1), two equivalent Ni(1), and one H(2) atom. In the seventh O site, O(7) is bonded in a distorted tetrahedral geometry to one K(1), two equivalent Ni(1), and one Se(1) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one K(1), two equivalent Ni(1), and one Se(2) atom. is represented by the CIF file [CIF]
data_KLiNi2H3(SeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.970
_cell_length_b   5.970
_cell_length_c   8.069
_cell_angle_alpha   65.351
_cell_angle_beta   65.351
_cell_angle_gamma   63.475
_symmetry_Int_Tables_number   1
_cell_volume   224.278
_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
  K  K0  1  0.514  0.514  0.532  1.0
  Li  Li1  1  0.404  0.404  0.262  1.0
  Ni  Ni2  1  0.988  0.500  0.017  1.0
  Ni  Ni3  1  0.500  0.988  0.017  1.0
  H  H4  1  0.755  0.755  0.720  1.0
  H  H5  1  0.201  0.201  0.254  1.0
  H  H6  1  0.590  0.590  0.892  1.0
  Se  Se7  1  0.910  0.910  0.264  1.0
  Se  Se8  1  0.090  0.090  0.745  1.0
  O  O9  1  0.793  0.793  0.500  1.0
  O  O10  1  0.203  0.203  0.513  1.0
  O  O11  1  0.253  0.786  0.234  1.0
  O  O12  1  0.786  0.253  0.234  1.0
  O  O13  1  0.761  0.199  0.810  1.0
  O  O14  1  0.199  0.761  0.810  1.0
  O  O15  1  0.696  0.696  0.865  1.0
  O  O16  1  0.291  0.291  0.128  1.0
  O  O17  1  0.749  0.749  0.174  1.0
  O  O18  1  0.200  0.200  0.851  1.0
[/CIF]
.