The material described by KCaNi2H3(SeO5)2 crystallizes in the triclinic P1 space group. K(1) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(3), one O(4), one O(5), and one O(9) atom. Ca(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(5), one O(6), one O(7), and one O(8) atom. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(10), one O(4), one O(6), one O(7), and one O(8) atom to form NiO5 trigonal bipyramids that share  a cornercorner with one Se(1)O4 tetrahedra. In the second Ni site, Ni(2) is bonded in a rectangular see-saw-like geometry to one O(10), one O(3), one O(5), and one O(7) atom. 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 bent 150 degrees geometry to one O(2) and one O(8) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(3) 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 SeO4 tetrahedra that share  a cornercorner with one Ni(1)O5 trigonal bipyramid. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(2), one O(5), and one O(6) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ca(1) and one Se(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar 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 Ni(2), one H(3), and one Se(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one K(1), one Ni(1), and one Se(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one Ca(1), one Ni(2), and one Se(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ca(1), one Ni(1), and one Se(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Ca(1), one Ni(1), one Ni(2), and one H(1) atom. In the eighth O site, O(8) is bonded in a distorted water-like geometry to one Ca(1), one Ni(1), one H(2), and one H(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one K(1) and one Se(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal pyramidal geometry to one K(1), one Ca(1), one Ni(1), and one Ni(2) atom. is represented by the CIF file [CIF]
data_KCaNi2H3(SeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.267
_cell_length_b   6.895
_cell_length_c   8.704
_cell_angle_alpha   55.697
_cell_angle_beta   60.761
_cell_angle_gamma   63.959
_symmetry_Int_Tables_number   1
_cell_volume   264.009
_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  0.490  0.463  0.443  1.0
  Ca  Ca1  1  0.560  0.472  0.813  1.0
  Ni  Ni2  1  0.014  0.457  0.986  1.0
  Ni  Ni3  1  0.492  0.970  0.935  1.0
  H  H4  1  0.798  0.755  0.758  1.0
  H  H5  1  0.237  0.282  0.277  1.0
  H  H6  1  0.213  0.558  0.145  1.0
  Se  Se7  1  0.897  0.898  0.274  1.0
  Se  Se8  1  0.106  0.038  0.726  1.0
  O  O9  1  0.824  0.733  0.517  1.0
  O  O10  1  0.263  0.180  0.486  1.0
  O  O11  1  0.213  0.792  0.178  1.0
  O  O12  1  0.835  0.189  0.220  1.0
  O  O13  1  0.791  0.141  0.734  1.0
  O  O14  1  0.182  0.743  0.760  1.0
  O  O15  1  0.697  0.670  0.896  1.0
  O  O16  1  0.233  0.411  0.139  1.0
  O  O17  1  0.745  0.859  0.185  1.0
  O  O18  1  0.304  0.283  0.850  1.0
[/CIF]
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The material described by KCaNi2H3(SeO5)2 crystallizes in the triclinic P1 space group. K(1) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(3), one O(4), one O(5), and one O(9) atom. Ca(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(5), one O(6), one O(7), and one O(8) atom. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(10), one O(4), one O(6), one O(7), and one O(8) atom to form NiO5 trigonal bipyramids that share  a cornercorner with one Se(1)O4 tetrahedra. In the second Ni site, Ni(2) is bonded in a rectangular see-saw-like geometry to one O(10), one O(3), one O(5), and one O(7) atom. 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 bent 150 degrees geometry to one O(2) and one O(8) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(3) 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 SeO4 tetrahedra that share  a cornercorner with one Ni(1)O5 trigonal bipyramid. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(2), one O(5), and one O(6) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ca(1) and one Se(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar 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 Ni(2), one H(3), and one Se(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one K(1), one Ni(1), and one Se(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one Ca(1), one Ni(2), and one Se(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ca(1), one Ni(1), and one Se(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Ca(1), one Ni(1), one Ni(2), and one H(1) atom. In the eighth O site, O(8) is bonded in a distorted water-like geometry to one Ca(1), one Ni(1), one H(2), and one H(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one K(1) and one Se(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal pyramidal geometry to one K(1), one Ca(1), one Ni(1), and one Ni(2) atom. is represented by the CIF file [CIF]
data_KCaNi2H3(SeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.267
_cell_length_b   6.895
_cell_length_c   8.704
_cell_angle_alpha   55.697
_cell_angle_beta   60.761
_cell_angle_gamma   63.959
_symmetry_Int_Tables_number   1
_cell_volume   264.009
_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  0.490  0.463  0.443  1.0
  Ca  Ca1  1  0.560  0.472  0.813  1.0
  Ni  Ni2  1  0.014  0.457  0.986  1.0
  Ni  Ni3  1  0.492  0.970  0.935  1.0
  H  H4  1  0.798  0.755  0.758  1.0
  H  H5  1  0.237  0.282  0.277  1.0
  H  H6  1  0.213  0.558  0.145  1.0
  Se  Se7  1  0.897  0.898  0.274  1.0
  Se  Se8  1  0.106  0.038  0.726  1.0
  O  O9  1  0.824  0.733  0.517  1.0
  O  O10  1  0.263  0.180  0.486  1.0
  O  O11  1  0.213  0.792  0.178  1.0
  O  O12  1  0.835  0.189  0.220  1.0
  O  O13  1  0.791  0.141  0.734  1.0
  O  O14  1  0.182  0.743  0.760  1.0
  O  O15  1  0.697  0.670  0.896  1.0
  O  O16  1  0.233  0.411  0.139  1.0
  O  O17  1  0.745  0.859  0.185  1.0
  O  O18  1  0.304  0.283  0.850  1.0
[/CIF]
.