The material structure described by K3NaTh2O6 is beta Sn-derived structured and crystallizes in the monoclinic C2/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted KO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Th(1)O6 octahedra, corners with two equivalent Th(2)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Th(1)O6 octahedra, edges with two equivalent Th(2)O6 octahedra, and edges with six equivalent K(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-18°. In the second K site, K(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted KO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Th(1)O6 octahedra, corners with two equivalent Th(2)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Th(1)O6 octahedra, edges with two equivalent Th(2)O6 octahedra, edges with three equivalent K(1)O6 octahedra, and edges with three equivalent K(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-17°. Na(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted NaO6 octahedra that share corners with two equivalent K(1)O6 octahedra, corners with four equivalent K(2)O6 octahedra, edges with two equivalent K(1)O6 octahedra, edges with three equivalent Th(1)O6 octahedra, edges with three equivalent Th(2)O6 octahedra, and edges with four equivalent K(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-18°. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ThO6 octahedra that share corners with two equivalent K(1)O6 octahedra, corners with four equivalent K(2)O6 octahedra, edges with two equivalent K(1)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, edges with three equivalent Th(2)O6 octahedra, and edges with four equivalent K(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-14°. In the second Th site, Th(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ThO6 octahedra that share corners with two equivalent K(1)O6 octahedra, corners with four equivalent K(2)O6 octahedra, edges with two equivalent K(1)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, edges with three equivalent Th(1)O6 octahedra, and edges with four equivalent K(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-14°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one K(1), two equivalent K(2), one Na(1), one Th(1), and one Th(2) atom to form a mixture of distorted edge and corner-sharing OK3NaTh2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the second O site, O(2) is bonded to one K(1), two equivalent K(2), one Na(1), one Th(1), and one Th(2) atom to form a mixture of distorted edge and corner-sharing OK3NaTh2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the third O site, O(3) is bonded to one K(1), two equivalent K(2), one Na(1), one Th(1), and one Th(2) atom to form a mixture of distorted edge and corner-sharing OK3NaTh2 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3NaTh2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.345
_cell_length_b   6.345
_cell_length_c   12.770
_cell_angle_alpha   85.238
_cell_angle_beta   85.238
_cell_angle_gamma   120.027
_symmetry_Int_Tables_number   1
_cell_volume   438.917
_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  0.000  0.500  0.000  1.0
  K  K1  1  0.500  0.000  0.500  1.0
  K  K2  1  0.687  0.844  1.000  1.0
  K  K3  1  0.156  0.313  0.500  1.0
  K  K4  1  0.844  0.687  0.500  1.0
  K  K5  1  0.313  0.156  0.000  1.0
  Na  Na6  1  0.916  0.084  0.250  1.0
  Na  Na7  1  0.084  0.916  0.750  1.0
  Th  Th8  1  0.750  0.250  0.750  1.0
  Th  Th9  1  0.250  0.750  0.250  1.0
  Th  Th10  1  0.417  0.583  0.750  1.0
  Th  Th11  1  0.583  0.417  0.250  1.0
  O  O12  1  0.422  0.884  0.847  1.0
  O  O13  1  0.116  0.578  0.653  1.0
  O  O14  1  0.578  0.116  0.153  1.0
  O  O15  1  0.884  0.422  0.347  1.0
  O  O16  1  0.681  0.513  0.847  1.0
  O  O17  1  0.487  0.319  0.653  1.0
  O  O18  1  0.252  0.051  0.347  1.0
  O  O19  1  0.513  0.681  0.347  1.0
  O  O20  1  0.051  0.252  0.847  1.0
  O  O21  1  0.748  0.949  0.653  1.0
  O  O22  1  0.949  0.748  0.153  1.0
  O  O23  1  0.319  0.487  0.153  1.0
[/CIF]
.
The material structure described by K3NaTh2O6 is beta Sn-derived structured and crystallizes in the monoclinic C2/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted KO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Th(1)O6 octahedra, corners with two equivalent Th(2)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Th(1)O6 octahedra, edges with two equivalent Th(2)O6 octahedra, and edges with six equivalent K(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-18°. In the second K site, K(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted KO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Th(1)O6 octahedra, corners with two equivalent Th(2)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Th(1)O6 octahedra, edges with two equivalent Th(2)O6 octahedra, edges with three equivalent K(1)O6 octahedra, and edges with three equivalent K(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-17°. Na(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted NaO6 octahedra that share corners with two equivalent K(1)O6 octahedra, corners with four equivalent K(2)O6 octahedra, edges with two equivalent K(1)O6 octahedra, edges with three equivalent Th(1)O6 octahedra, edges with three equivalent Th(2)O6 octahedra, and edges with four equivalent K(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-18°. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ThO6 octahedra that share corners with two equivalent K(1)O6 octahedra, corners with four equivalent K(2)O6 octahedra, edges with two equivalent K(1)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, edges with three equivalent Th(2)O6 octahedra, and edges with four equivalent K(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-14°. In the second Th site, Th(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ThO6 octahedra that share corners with two equivalent K(1)O6 octahedra, corners with four equivalent K(2)O6 octahedra, edges with two equivalent K(1)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, edges with three equivalent Th(1)O6 octahedra, and edges with four equivalent K(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-14°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one K(1), two equivalent K(2), one Na(1), one Th(1), and one Th(2) atom to form a mixture of distorted edge and corner-sharing OK3NaTh2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the second O site, O(2) is bonded to one K(1), two equivalent K(2), one Na(1), one Th(1), and one Th(2) atom to form a mixture of distorted edge and corner-sharing OK3NaTh2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the third O site, O(3) is bonded to one K(1), two equivalent K(2), one Na(1), one Th(1), and one Th(2) atom to form a mixture of distorted edge and corner-sharing OK3NaTh2 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3NaTh2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.345
_cell_length_b   6.345
_cell_length_c   12.770
_cell_angle_alpha   85.238
_cell_angle_beta   85.238
_cell_angle_gamma   120.027
_symmetry_Int_Tables_number   1
_cell_volume   438.917
_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  0.000  0.500  0.000  1.0
  K  K1  1  0.500  0.000  0.500  1.0
  K  K2  1  0.687  0.844  1.000  1.0
  K  K3  1  0.156  0.313  0.500  1.0
  K  K4  1  0.844  0.687  0.500  1.0
  K  K5  1  0.313  0.156  0.000  1.0
  Na  Na6  1  0.916  0.084  0.250  1.0
  Na  Na7  1  0.084  0.916  0.750  1.0
  Th  Th8  1  0.750  0.250  0.750  1.0
  Th  Th9  1  0.250  0.750  0.250  1.0
  Th  Th10  1  0.417  0.583  0.750  1.0
  Th  Th11  1  0.583  0.417  0.250  1.0
  O  O12  1  0.422  0.884  0.847  1.0
  O  O13  1  0.116  0.578  0.653  1.0
  O  O14  1  0.578  0.116  0.153  1.0
  O  O15  1  0.884  0.422  0.347  1.0
  O  O16  1  0.681  0.513  0.847  1.0
  O  O17  1  0.487  0.319  0.653  1.0
  O  O18  1  0.252  0.051  0.347  1.0
  O  O19  1  0.513  0.681  0.347  1.0
  O  O20  1  0.051  0.252  0.847  1.0
  O  O21  1  0.748  0.949  0.653  1.0
  O  O22  1  0.949  0.748  0.153  1.0
  O  O23  1  0.319  0.487  0.153  1.0
[/CIF]
.