The material described by KNd(SeO4)2 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 9-coordinate geometry to one O(1), one O(4), one O(7), one O(8), two equivalent O(6), and three equivalent O(3) atoms. Nd(1) is bonded in a 9-coordinate geometry to one O(1), one O(4), one O(8), two equivalent O(2), two equivalent O(5), and two equivalent O(7) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(7) atom. In the second Se site, Se(2) is bonded in a tetrahedral geometry to one O(4), one O(5), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Nd(1) and one Se(2) atom. In the second O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to two equivalent K(1) and one Se(2) atom. In the third O site, O(7) is bonded in a 4-coordinate geometry to one K(1), two equivalent Nd(1), and one Se(1) atom. In the fourth O site, O(8) is bonded in a 3-coordinate geometry to one K(1), one Nd(1), and one Se(2) atom. In the fifth O site, O(1) is bonded in a 3-coordinate geometry to one K(1), one Nd(1), and one Se(1) atom. In the sixth O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Nd(1) and one Se(1) atom. In the seventh O site, O(3) is bonded in a distorted single-bond geometry to three equivalent K(1) and one Se(1) atom. In the eighth O site, O(4) is bonded in a distorted trigonal planar geometry to one K(1), one Nd(1), and one Se(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KNd(SeO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.493
_cell_length_b   8.871
_cell_length_c   11.162
_cell_angle_alpha   88.290
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   741.612
_cell_formula_units_Z   4
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  0.348  0.433  0.837  1.0
  K  K1  1  0.652  0.567  0.163  1.0
  K  K2  1  0.848  0.567  0.663  1.0
  K  K3  1  0.152  0.433  0.337  1.0
  Nd  Nd4  1  0.162  0.942  0.848  1.0
  Nd  Nd5  1  0.838  0.058  0.152  1.0
  Nd  Nd6  1  0.662  0.058  0.652  1.0
  Nd  Nd7  1  0.338  0.942  0.348  1.0
  Se  Se8  1  0.163  0.192  0.606  1.0
  Se  Se9  1  0.837  0.808  0.394  1.0
  Se  Se10  1  0.663  0.808  0.894  1.0
  Se  Se11  1  0.337  0.192  0.106  1.0
  Se  Se12  1  0.338  0.718  0.589  1.0
  Se  Se13  1  0.662  0.282  0.411  1.0
  Se  Se14  1  0.838  0.282  0.911  1.0
  Se  Se15  1  0.162  0.718  0.089  1.0
  O  O16  1  0.818  0.865  0.534  1.0
  O  O17  1  0.182  0.135  0.466  1.0
  O  O18  1  0.318  0.135  0.966  1.0
  O  O19  1  0.682  0.865  0.034  1.0
  O  O20  1  0.501  0.909  0.821  1.0
  O  O21  1  0.499  0.091  0.179  1.0
  O  O22  1  0.001  0.091  0.679  1.0
  O  O23  1  0.999  0.909  0.321  1.0
  O  O24  1  0.134  0.375  0.606  1.0
  O  O25  1  0.866  0.625  0.394  1.0
  O  O26  1  0.634  0.625  0.894  1.0
  O  O27  1  0.366  0.375  0.106  1.0
  O  O28  1  0.253  0.697  0.953  1.0
  O  O29  1  0.747  0.303  0.047  1.0
  O  O30  1  0.753  0.303  0.547  1.0
  O  O31  1  0.247  0.697  0.453  1.0
  O  O32  1  0.438  0.888  0.560  1.0
  O  O33  1  0.562  0.112  0.440  1.0
  O  O34  1  0.938  0.112  0.940  1.0
  O  O35  1  0.062  0.888  0.060  1.0
  O  O36  1  0.481  0.586  0.631  1.0
  O  O37  1  0.519  0.414  0.369  1.0
  O  O38  1  0.981  0.414  0.869  1.0
  O  O39  1  0.019  0.586  0.131  1.0
  O  O40  1  0.839  0.857  0.804  1.0
  O  O41  1  0.161  0.143  0.196  1.0
  O  O42  1  0.339  0.143  0.696  1.0
  O  O43  1  0.661  0.857  0.304  1.0
  O  O44  1  0.180  0.742  0.694  1.0
  O  O45  1  0.820  0.258  0.306  1.0
  O  O46  1  0.680  0.258  0.806  1.0
  O  O47  1  0.320  0.742  0.194  1.0
[/CIF]
.
The material described by KNd(SeO4)2 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 9-coordinate geometry to one O(1), one O(4), one O(7), one O(8), two equivalent O(6), and three equivalent O(3) atoms. Nd(1) is bonded in a 9-coordinate geometry to one O(1), one O(4), one O(8), two equivalent O(2), two equivalent O(5), and two equivalent O(7) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(7) atom. In the second Se site, Se(2) is bonded in a tetrahedral geometry to one O(4), one O(5), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Nd(1) and one Se(2) atom. In the second O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to two equivalent K(1) and one Se(2) atom. In the third O site, O(7) is bonded in a 4-coordinate geometry to one K(1), two equivalent Nd(1), and one Se(1) atom. In the fourth O site, O(8) is bonded in a 3-coordinate geometry to one K(1), one Nd(1), and one Se(2) atom. In the fifth O site, O(1) is bonded in a 3-coordinate geometry to one K(1), one Nd(1), and one Se(1) atom. In the sixth O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Nd(1) and one Se(1) atom. In the seventh O site, O(3) is bonded in a distorted single-bond geometry to three equivalent K(1) and one Se(1) atom. In the eighth O site, O(4) is bonded in a distorted trigonal planar geometry to one K(1), one Nd(1), and one Se(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KNd(SeO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.493
_cell_length_b   8.871
_cell_length_c   11.162
_cell_angle_alpha   88.290
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   741.612
_cell_formula_units_Z   4
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  0.348  0.433  0.837  1.0
  K  K1  1  0.652  0.567  0.163  1.0
  K  K2  1  0.848  0.567  0.663  1.0
  K  K3  1  0.152  0.433  0.337  1.0
  Nd  Nd4  1  0.162  0.942  0.848  1.0
  Nd  Nd5  1  0.838  0.058  0.152  1.0
  Nd  Nd6  1  0.662  0.058  0.652  1.0
  Nd  Nd7  1  0.338  0.942  0.348  1.0
  Se  Se8  1  0.163  0.192  0.606  1.0
  Se  Se9  1  0.837  0.808  0.394  1.0
  Se  Se10  1  0.663  0.808  0.894  1.0
  Se  Se11  1  0.337  0.192  0.106  1.0
  Se  Se12  1  0.338  0.718  0.589  1.0
  Se  Se13  1  0.662  0.282  0.411  1.0
  Se  Se14  1  0.838  0.282  0.911  1.0
  Se  Se15  1  0.162  0.718  0.089  1.0
  O  O16  1  0.818  0.865  0.534  1.0
  O  O17  1  0.182  0.135  0.466  1.0
  O  O18  1  0.318  0.135  0.966  1.0
  O  O19  1  0.682  0.865  0.034  1.0
  O  O20  1  0.501  0.909  0.821  1.0
  O  O21  1  0.499  0.091  0.179  1.0
  O  O22  1  0.001  0.091  0.679  1.0
  O  O23  1  0.999  0.909  0.321  1.0
  O  O24  1  0.134  0.375  0.606  1.0
  O  O25  1  0.866  0.625  0.394  1.0
  O  O26  1  0.634  0.625  0.894  1.0
  O  O27  1  0.366  0.375  0.106  1.0
  O  O28  1  0.253  0.697  0.953  1.0
  O  O29  1  0.747  0.303  0.047  1.0
  O  O30  1  0.753  0.303  0.547  1.0
  O  O31  1  0.247  0.697  0.453  1.0
  O  O32  1  0.438  0.888  0.560  1.0
  O  O33  1  0.562  0.112  0.440  1.0
  O  O34  1  0.938  0.112  0.940  1.0
  O  O35  1  0.062  0.888  0.060  1.0
  O  O36  1  0.481  0.586  0.631  1.0
  O  O37  1  0.519  0.414  0.369  1.0
  O  O38  1  0.981  0.414  0.869  1.0
  O  O39  1  0.019  0.586  0.131  1.0
  O  O40  1  0.839  0.857  0.804  1.0
  O  O41  1  0.161  0.143  0.196  1.0
  O  O42  1  0.339  0.143  0.696  1.0
  O  O43  1  0.661  0.857  0.304  1.0
  O  O44  1  0.180  0.742  0.694  1.0
  O  O45  1  0.820  0.258  0.306  1.0
  O  O46  1  0.680  0.258  0.806  1.0
  O  O47  1  0.320  0.742  0.194  1.0
[/CIF]
.