The material described by K2Cd(SeO5)2 crystallizes in the triclinic P-1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), one O(7), one O(8), two equivalent O(1), and two equivalent O(3) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to one O(10), one O(5), one O(6), one O(8), two equivalent O(2), and two equivalent O(4) atoms. Cd(1) is bonded to one O(10), one O(3), one O(4), one O(5), one O(6), and one O(9) atom to form CdO6 octahedra that share corners with two equivalent Se(1)O4 tetrahedra and corners with two equivalent Se(2)O4 tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form SeO4 tetrahedra that share corners with two equivalent Cd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-61°. In the second Se site, Se(2) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form SeO4 tetrahedra that share corners with two equivalent Cd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Se(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent K(2) and one Se(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent K(1), one Cd(1), and one Se(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent K(2), one Cd(1), and one Se(1) atom. In the fifth O site, O(5) is bonded to one K(1), one K(2), one Cd(1), and one Se(2) atom to form a mixture of distorted corner and edge-sharing OK2CdSe tetrahedra. In the sixth O site, O(6) is bonded to one K(1), one K(2), one Cd(1), and one Se(1) atom to form a mixture of distorted corner and edge-sharing OK2CdSe tetrahedra. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one K(1) and one Se(2) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one K(1), one K(2), and one Se(1) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one Cd(1) atom. In the tenth O site, O(10) is bonded in a water-like geometry to one K(2) and one Cd(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2Cd(SeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.943
_cell_length_b   7.386
_cell_length_c   10.959
_cell_angle_alpha   77.645
_cell_angle_beta   75.079
_cell_angle_gamma   70.871
_symmetry_Int_Tables_number   1
_cell_volume   507.841
_cell_formula_units_Z   2
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  0.209  0.271  0.083  1.0
  K  K1  1  0.791  0.729  0.917  1.0
  K  K2  1  0.739  0.280  0.573  1.0
  K  K3  1  0.261  0.720  0.427  1.0
  Cd  Cd4  1  0.252  0.025  0.758  1.0
  Cd  Cd5  1  0.748  0.975  0.242  1.0
  Se  Se6  1  0.727  0.777  0.589  1.0
  Se  Se7  1  0.273  0.223  0.411  1.0
  Se  Se8  1  0.253  0.777  0.077  1.0
  Se  Se9  1  0.747  0.223  0.923  1.0
  O  O10  1  0.124  0.660  0.030  1.0
  O  O11  1  0.876  0.340  0.970  1.0
  O  O12  1  0.550  0.675  0.575  1.0
  O  O13  1  0.450  0.325  0.425  1.0
  O  O14  1  0.325  0.944  0.957  1.0
  O  O15  1  0.675  0.056  0.043  1.0
  O  O16  1  0.811  0.903  0.449  1.0
  O  O17  1  0.189  0.097  0.551  1.0
  O  O18  1  0.100  0.900  0.198  1.0
  O  O19  1  0.900  0.100  0.802  1.0
  O  O20  1  0.609  0.936  0.696  1.0
  O  O21  1  0.391  0.064  0.304  1.0
  O  O22  1  0.470  0.629  0.125  1.0
  O  O23  1  0.530  0.371  0.875  1.0
  O  O24  1  0.929  0.615  0.639  1.0
  O  O25  1  0.071  0.385  0.361  1.0
  O  O26  1  0.284  0.683  0.748  1.0
  O  O27  1  0.716  0.317  0.252  1.0
  O  O28  1  0.655  0.684  0.267  1.0
  O  O29  1  0.345  0.316  0.733  1.0
[/CIF]
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The material described by K2Cd(SeO5)2 crystallizes in the triclinic P-1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), one O(7), one O(8), two equivalent O(1), and two equivalent O(3) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to one O(10), one O(5), one O(6), one O(8), two equivalent O(2), and two equivalent O(4) atoms. Cd(1) is bonded to one O(10), one O(3), one O(4), one O(5), one O(6), and one O(9) atom to form CdO6 octahedra that share corners with two equivalent Se(1)O4 tetrahedra and corners with two equivalent Se(2)O4 tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form SeO4 tetrahedra that share corners with two equivalent Cd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-61°. In the second Se site, Se(2) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form SeO4 tetrahedra that share corners with two equivalent Cd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Se(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent K(2) and one Se(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent K(1), one Cd(1), and one Se(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent K(2), one Cd(1), and one Se(1) atom. In the fifth O site, O(5) is bonded to one K(1), one K(2), one Cd(1), and one Se(2) atom to form a mixture of distorted corner and edge-sharing OK2CdSe tetrahedra. In the sixth O site, O(6) is bonded to one K(1), one K(2), one Cd(1), and one Se(1) atom to form a mixture of distorted corner and edge-sharing OK2CdSe tetrahedra. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one K(1) and one Se(2) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one K(1), one K(2), and one Se(1) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one Cd(1) atom. In the tenth O site, O(10) is bonded in a water-like geometry to one K(2) and one Cd(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2Cd(SeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.943
_cell_length_b   7.386
_cell_length_c   10.959
_cell_angle_alpha   77.645
_cell_angle_beta   75.079
_cell_angle_gamma   70.871
_symmetry_Int_Tables_number   1
_cell_volume   507.841
_cell_formula_units_Z   2
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  0.209  0.271  0.083  1.0
  K  K1  1  0.791  0.729  0.917  1.0
  K  K2  1  0.739  0.280  0.573  1.0
  K  K3  1  0.261  0.720  0.427  1.0
  Cd  Cd4  1  0.252  0.025  0.758  1.0
  Cd  Cd5  1  0.748  0.975  0.242  1.0
  Se  Se6  1  0.727  0.777  0.589  1.0
  Se  Se7  1  0.273  0.223  0.411  1.0
  Se  Se8  1  0.253  0.777  0.077  1.0
  Se  Se9  1  0.747  0.223  0.923  1.0
  O  O10  1  0.124  0.660  0.030  1.0
  O  O11  1  0.876  0.340  0.970  1.0
  O  O12  1  0.550  0.675  0.575  1.0
  O  O13  1  0.450  0.325  0.425  1.0
  O  O14  1  0.325  0.944  0.957  1.0
  O  O15  1  0.675  0.056  0.043  1.0
  O  O16  1  0.811  0.903  0.449  1.0
  O  O17  1  0.189  0.097  0.551  1.0
  O  O18  1  0.100  0.900  0.198  1.0
  O  O19  1  0.900  0.100  0.802  1.0
  O  O20  1  0.609  0.936  0.696  1.0
  O  O21  1  0.391  0.064  0.304  1.0
  O  O22  1  0.470  0.629  0.125  1.0
  O  O23  1  0.530  0.371  0.875  1.0
  O  O24  1  0.929  0.615  0.639  1.0
  O  O25  1  0.071  0.385  0.361  1.0
  O  O26  1  0.284  0.683  0.748  1.0
  O  O27  1  0.716  0.317  0.252  1.0
  O  O28  1  0.655  0.684  0.267  1.0
  O  O29  1  0.345  0.316  0.733  1.0
[/CIF]
.