The material described by KLiNi2H3(SeO5)2 crystallizes in the triclinic P1 space group. K(1) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(2), one O(3), one O(5), one O(6), and one O(9) atom. Li(1) is bonded to one O(10), one O(3), one O(4), and one O(8) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Se(2)O4 tetrahedra,  an edgeedge with one Se(1)O4 tetrahedra,  an edgeedge with one Ni(1)O5 trigonal bipyramid, and  an edgeedge with one Ni(2)O5 trigonal bipyramid. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(4), one O(6), one O(7), one O(8), and one O(9) atom to form distorted NiO5 trigonal bipyramids that share  a cornercorner with one Se(2)O4 tetrahedra, corners with two equivalent Se(1)O4 tetrahedra,  an edgeedge with one Ni(2)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. In the second Ni site, Ni(2) is bonded to one O(10), one O(3), one O(5), one O(7), and one O(9) atom to form distorted NiO5 trigonal bipyramids that share corners with two equivalent Se(1)O4 tetrahedra, corners with two equivalent Se(2)O4 tetrahedra,  an edgeedge with one Ni(1)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(7) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) and one O(8) atom. In the third H site, H(3) is bonded in a linear geometry to one O(7) and one O(8) atom. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one O(1), one O(3), one O(4), and one O(9) atom to form distorted SeO4 tetrahedra that share corners with two equivalent Ni(1)O5 trigonal bipyramids, corners with two equivalent Ni(2)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O4 trigonal pyramid. In the second Se site, Se(2) is bonded to one O(10), one O(2), one O(5), and one O(6) atom to form SeO4 tetrahedra that share  a cornercorner with one Ni(1)O5 trigonal bipyramid, corners with two equivalent Ni(2)O5 trigonal bipyramids, and  a cornercorner with one Li(1)O4 trigonal pyramid. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one K(1) and one Se(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one K(1), one H(2), and one Se(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one K(1), one Li(1), one Ni(2), and one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(1), one Ni(1), and one Se(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one K(1), one Ni(2), and one Se(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one K(1), one Ni(1), and one Se(2) atom. In the seventh O site, O(7) is bonded in a distorted tetrahedral geometry to one Ni(1), one Ni(2), one H(1), and one H(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Ni(1), one H(2), and one H(3) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one K(1), one Ni(1), one Ni(2), and one Se(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one K(1), one Li(1), one Ni(2), and one Se(2) atom. is represented by the CIF card [CIF]
data_KLiNi2H3(SeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.515
_cell_length_b   6.823
_cell_length_c   8.036
_cell_angle_alpha   62.159
_cell_angle_beta   72.339
_cell_angle_gamma   77.430
_symmetry_Int_Tables_number   1
_cell_volume   253.732
_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  0.438  0.535  0.520  1.0
  Li  Li1  1  0.191  0.195  0.042  1.0
  Ni  Ni2  1  0.943  0.552  0.044  1.0
  Ni  Ni3  1  0.541  0.909  0.990  1.0
  H  H4  1  0.696  0.699  0.783  1.0
  H  H5  1  0.286  0.324  0.235  1.0
  H  H6  1  0.447  0.508  0.020  1.0
  Se  Se7  1  0.882  0.918  0.283  1.0
  Se  Se8  1  0.113  0.055  0.714  1.0
  O  O9  1  0.810  0.765  0.524  1.0
  O  O10  1  0.231  0.201  0.482  1.0
  O  O11  1  0.220  0.875  0.221  1.0
  O  O12  1  0.850  0.219  0.197  1.0
  O  O13  1  0.801  0.132  0.780  1.0
  O  O14  1  0.161  0.780  0.783  1.0
  O  O15  1  0.643  0.652  0.924  1.0
  O  O16  1  0.291  0.406  0.094  1.0
  O  O17  1  0.775  0.748  0.172  1.0
  O  O18  1  0.279  0.126  0.825  1.0
[/CIF]
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The material described by KLiNi2H3(SeO5)2 crystallizes in the triclinic P1 space group. K(1) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(2), one O(3), one O(5), one O(6), and one O(9) atom. Li(1) is bonded to one O(10), one O(3), one O(4), and one O(8) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Se(2)O4 tetrahedra,  an edgeedge with one Se(1)O4 tetrahedra,  an edgeedge with one Ni(1)O5 trigonal bipyramid, and  an edgeedge with one Ni(2)O5 trigonal bipyramid. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(4), one O(6), one O(7), one O(8), and one O(9) atom to form distorted NiO5 trigonal bipyramids that share  a cornercorner with one Se(2)O4 tetrahedra, corners with two equivalent Se(1)O4 tetrahedra,  an edgeedge with one Ni(2)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. In the second Ni site, Ni(2) is bonded to one O(10), one O(3), one O(5), one O(7), and one O(9) atom to form distorted NiO5 trigonal bipyramids that share corners with two equivalent Se(1)O4 tetrahedra, corners with two equivalent Se(2)O4 tetrahedra,  an edgeedge with one Ni(1)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(7) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) and one O(8) atom. In the third H site, H(3) is bonded in a linear geometry to one O(7) and one O(8) atom. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one O(1), one O(3), one O(4), and one O(9) atom to form distorted SeO4 tetrahedra that share corners with two equivalent Ni(1)O5 trigonal bipyramids, corners with two equivalent Ni(2)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O4 trigonal pyramid. In the second Se site, Se(2) is bonded to one O(10), one O(2), one O(5), and one O(6) atom to form SeO4 tetrahedra that share  a cornercorner with one Ni(1)O5 trigonal bipyramid, corners with two equivalent Ni(2)O5 trigonal bipyramids, and  a cornercorner with one Li(1)O4 trigonal pyramid. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one K(1) and one Se(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one K(1), one H(2), and one Se(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one K(1), one Li(1), one Ni(2), and one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(1), one Ni(1), and one Se(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one K(1), one Ni(2), and one Se(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one K(1), one Ni(1), and one Se(2) atom. In the seventh O site, O(7) is bonded in a distorted tetrahedral geometry to one Ni(1), one Ni(2), one H(1), and one H(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Ni(1), one H(2), and one H(3) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one K(1), one Ni(1), one Ni(2), and one Se(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one K(1), one Li(1), one Ni(2), and one Se(2) atom. is represented by the CIF card [CIF]
data_KLiNi2H3(SeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.515
_cell_length_b   6.823
_cell_length_c   8.036
_cell_angle_alpha   62.159
_cell_angle_beta   72.339
_cell_angle_gamma   77.430
_symmetry_Int_Tables_number   1
_cell_volume   253.732
_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  0.438  0.535  0.520  1.0
  Li  Li1  1  0.191  0.195  0.042  1.0
  Ni  Ni2  1  0.943  0.552  0.044  1.0
  Ni  Ni3  1  0.541  0.909  0.990  1.0
  H  H4  1  0.696  0.699  0.783  1.0
  H  H5  1  0.286  0.324  0.235  1.0
  H  H6  1  0.447  0.508  0.020  1.0
  Se  Se7  1  0.882  0.918  0.283  1.0
  Se  Se8  1  0.113  0.055  0.714  1.0
  O  O9  1  0.810  0.765  0.524  1.0
  O  O10  1  0.231  0.201  0.482  1.0
  O  O11  1  0.220  0.875  0.221  1.0
  O  O12  1  0.850  0.219  0.197  1.0
  O  O13  1  0.801  0.132  0.780  1.0
  O  O14  1  0.161  0.780  0.783  1.0
  O  O15  1  0.643  0.652  0.924  1.0
  O  O16  1  0.291  0.406  0.094  1.0
  O  O17  1  0.775  0.748  0.172  1.0
  O  O18  1  0.279  0.126  0.825  1.0
[/CIF]
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