The material described by K2ThO3 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/c space group. There are three 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 K(2)O6 octahedra, corners with two equivalent Th(1)O6 octahedra, corners with two equivalent Th(2)O6 octahedra, edges with two equivalent K(2)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(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-18°. 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 K(3)O6 octahedra, corners with four equivalent K(1)O6 octahedra, edges with two equivalent K(3)O6 octahedra, edges with three equivalent Th(1)O6 octahedra, edges with three equivalent Th(2)O6 octahedra, and edges with four equivalent K(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-19°. In the third K site, K(3) 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 K(2)O6 octahedra, corners with two equivalent Th(1)O6 octahedra, corners with two equivalent Th(2)O6 octahedra, edges with two equivalent K(2)O6 octahedra, edges with two equivalent Th(1)O6 octahedra, edges with two equivalent Th(2)O6 octahedra, and edges with six equivalent K(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-19°. 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(3)O6 octahedra, corners with four equivalent K(1)O6 octahedra, edges with two equivalent K(3)O6 octahedra, edges with three equivalent K(2)O6 octahedra, edges with three equivalent Th(2)O6 octahedra, and edges with four equivalent K(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-16°. 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(3)O6 octahedra, corners with four equivalent K(1)O6 octahedra, edges with two equivalent K(3)O6 octahedra, edges with three equivalent K(2)O6 octahedra, edges with three equivalent Th(1)O6 octahedra, and edges with four equivalent K(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-16°. There are three inequivalent O sites. In the first O site, O(3) is bonded to one K(2), one K(3), two equivalent K(1), one Th(1), and one Th(2) atom to form a mixture of distorted corner and edge-sharing OK4Th2 octahedra. The corner-sharing octahedral tilt angles range from 0-15°. In the second O site, O(1) is bonded to one K(2), one K(3), two equivalent K(1), one Th(1), and one Th(2) atom to form a mixture of distorted corner and edge-sharing OK4Th2 octahedra. The corner-sharing octahedral tilt angles range from 0-15°. In the third O site, O(2) is bonded to one K(2), one K(3), two equivalent K(1), one Th(1), and one Th(2) atom to form a mixture of distorted corner and edge-sharing OK4Th2 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. is represented by the CIF file [CIF]
data_K2ThO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.419
_cell_length_b   6.419
_cell_length_c   12.709
_cell_angle_alpha   85.066
_cell_angle_beta   85.066
_cell_angle_gamma   120.105
_symmetry_Int_Tables_number   1
_cell_volume   446.205
_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  0.657  0.813  0.000  1.0
  K  K1  1  0.343  0.187  1.000  1.0
  K  K2  1  0.187  0.343  0.500  1.0
  K  K3  1  0.813  0.657  0.500  1.0
  K  K4  1  0.585  0.415  0.250  1.0
  K  K5  1  0.415  0.585  0.750  1.0
  K  K6  1  0.500  0.000  0.500  1.0
  K  K7  1  0.000  0.500  0.000  1.0
  Th  Th8  1  0.250  0.750  0.250  1.0
  Th  Th9  1  0.750  0.250  0.750  1.0
  Th  Th10  1  0.918  0.082  0.250  1.0
  Th  Th11  1  0.082  0.918  0.750  1.0
  O  O12  1  0.833  0.001  0.651  1.0
  O  O13  1  0.167  0.999  0.349  1.0
  O  O14  1  0.999  0.167  0.849  1.0
  O  O15  1  0.001  0.833  0.151  1.0
  O  O16  1  0.550  0.764  0.349  1.0
  O  O17  1  0.450  0.236  0.651  1.0
  O  O18  1  0.236  0.450  0.151  1.0
  O  O19  1  0.764  0.550  0.849  1.0
  O  O20  1  0.618  0.066  0.151  1.0
  O  O21  1  0.382  0.934  0.849  1.0
  O  O22  1  0.934  0.382  0.349  1.0
  O  O23  1  0.066  0.618  0.651  1.0
[/CIF]
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The material described by K2ThO3 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/c space group. There are three 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 K(2)O6 octahedra, corners with two equivalent Th(1)O6 octahedra, corners with two equivalent Th(2)O6 octahedra, edges with two equivalent K(2)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(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-18°. 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 K(3)O6 octahedra, corners with four equivalent K(1)O6 octahedra, edges with two equivalent K(3)O6 octahedra, edges with three equivalent Th(1)O6 octahedra, edges with three equivalent Th(2)O6 octahedra, and edges with four equivalent K(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-19°. In the third K site, K(3) 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 K(2)O6 octahedra, corners with two equivalent Th(1)O6 octahedra, corners with two equivalent Th(2)O6 octahedra, edges with two equivalent K(2)O6 octahedra, edges with two equivalent Th(1)O6 octahedra, edges with two equivalent Th(2)O6 octahedra, and edges with six equivalent K(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-19°. 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(3)O6 octahedra, corners with four equivalent K(1)O6 octahedra, edges with two equivalent K(3)O6 octahedra, edges with three equivalent K(2)O6 octahedra, edges with three equivalent Th(2)O6 octahedra, and edges with four equivalent K(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-16°. 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(3)O6 octahedra, corners with four equivalent K(1)O6 octahedra, edges with two equivalent K(3)O6 octahedra, edges with three equivalent K(2)O6 octahedra, edges with three equivalent Th(1)O6 octahedra, and edges with four equivalent K(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-16°. There are three inequivalent O sites. In the first O site, O(3) is bonded to one K(2), one K(3), two equivalent K(1), one Th(1), and one Th(2) atom to form a mixture of distorted corner and edge-sharing OK4Th2 octahedra. The corner-sharing octahedral tilt angles range from 0-15°. In the second O site, O(1) is bonded to one K(2), one K(3), two equivalent K(1), one Th(1), and one Th(2) atom to form a mixture of distorted corner and edge-sharing OK4Th2 octahedra. The corner-sharing octahedral tilt angles range from 0-15°. In the third O site, O(2) is bonded to one K(2), one K(3), two equivalent K(1), one Th(1), and one Th(2) atom to form a mixture of distorted corner and edge-sharing OK4Th2 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. is represented by the CIF file [CIF]
data_K2ThO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.419
_cell_length_b   6.419
_cell_length_c   12.709
_cell_angle_alpha   85.066
_cell_angle_beta   85.066
_cell_angle_gamma   120.105
_symmetry_Int_Tables_number   1
_cell_volume   446.205
_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  0.657  0.813  0.000  1.0
  K  K1  1  0.343  0.187  1.000  1.0
  K  K2  1  0.187  0.343  0.500  1.0
  K  K3  1  0.813  0.657  0.500  1.0
  K  K4  1  0.585  0.415  0.250  1.0
  K  K5  1  0.415  0.585  0.750  1.0
  K  K6  1  0.500  0.000  0.500  1.0
  K  K7  1  0.000  0.500  0.000  1.0
  Th  Th8  1  0.250  0.750  0.250  1.0
  Th  Th9  1  0.750  0.250  0.750  1.0
  Th  Th10  1  0.918  0.082  0.250  1.0
  Th  Th11  1  0.082  0.918  0.750  1.0
  O  O12  1  0.833  0.001  0.651  1.0
  O  O13  1  0.167  0.999  0.349  1.0
  O  O14  1  0.999  0.167  0.849  1.0
  O  O15  1  0.001  0.833  0.151  1.0
  O  O16  1  0.550  0.764  0.349  1.0
  O  O17  1  0.450  0.236  0.651  1.0
  O  O18  1  0.236  0.450  0.151  1.0
  O  O19  1  0.764  0.550  0.849  1.0
  O  O20  1  0.618  0.066  0.151  1.0
  O  O21  1  0.382  0.934  0.849  1.0
  O  O22  1  0.934  0.382  0.349  1.0
  O  O23  1  0.066  0.618  0.651  1.0
[/CIF]
.