The crystal structure described by KTh(SbSe3)2 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 9-coordinate geometry to one Se(2), one Se(3), one Se(5), two equivalent Se(1), two equivalent Se(4), and two equivalent Se(6) atoms. Th(1) is bonded in a 9-coordinate geometry to one Se(1), one Se(2), two equivalent Se(4), two equivalent Se(6), and three equivalent Se(5) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 5-coordinate geometry to one Se(4), two equivalent Se(2), and three equivalent Se(3) atoms. In the second Sb site, Sb(2) is bonded to one Se(2), one Se(6), two equivalent Se(1), and two equivalent Se(3) atoms to form distorted edge-sharing SbSe6 octahedra. There are six inequivalent Se sites. In the first Se site, Se(1) is bonded in a 4-coordinate geometry to two equivalent K(1), one Th(1), and two equivalent Sb(2) atoms. In the second Se site, Se(2) is bonded to one K(1), one Th(1), one Sb(2), and two equivalent Sb(1) atoms to form distorted SeKThSb3 trigonal bipyramids that share  a cornercorner with one Se(6)K2Th2Sb square pyramid, corners with two equivalent Se(4)K2Th2Sb square pyramids, corners with two equivalent Se(2)KThSb3 trigonal bipyramids, edges with two equivalent Se(4)K2Th2Sb square pyramids, and edges with two equivalent Se(6)K2Th2Sb square pyramids. In the third Se site, Se(3) is bonded in a 6-coordinate geometry to one K(1), two equivalent Sb(2), and three equivalent Sb(1) atoms. In the fourth Se site, Se(4) is bonded to two equivalent K(1), two equivalent Th(1), and one Sb(1) atom to form distorted SeK2Th2Sb square pyramids that share corners with four equivalent Se(6)K2Th2Sb square pyramids, corners with two equivalent Se(2)KThSb3 trigonal bipyramids, edges with two equivalent Se(4)K2Th2Sb square pyramids, edges with two equivalent Se(6)K2Th2Sb square pyramids, and edges with two equivalent Se(2)KThSb3 trigonal bipyramids. In the fifth Se site, Se(5) is bonded in a 5-coordinate geometry to one K(1), three equivalent Th(1), and one Se(5) atom. In the sixth Se site, Se(6) is bonded to two equivalent K(1), two equivalent Th(1), and one Sb(2) atom to form SeK2Th2Sb square pyramids that share corners with four equivalent Se(4)K2Th2Sb square pyramids,  a cornercorner with one Se(2)KThSb3 trigonal bipyramid, edges with two equivalent Se(4)K2Th2Sb square pyramids, edges with two equivalent Se(6)K2Th2Sb square pyramids, and edges with two equivalent Se(2)KThSb3 trigonal bipyramids. is represented by the CIF card [CIF]
data_KTh(SbSe3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.317
_cell_length_b   4.300
_cell_length_c   17.294
_cell_angle_alpha   87.402
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1137.907
_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  0.287  0.735  0.673  1.0
  K  K1  1  0.213  0.735  0.173  1.0
  K  K2  1  0.713  0.265  0.327  1.0
  K  K3  1  0.787  0.265  0.827  1.0
  Th  Th4  1  0.871  0.300  0.091  1.0
  Th  Th5  1  0.129  0.700  0.909  1.0
  Th  Th6  1  0.629  0.300  0.591  1.0
  Th  Th7  1  0.371  0.700  0.409  1.0
  Sb  Sb8  1  0.874  0.731  0.526  1.0
  Sb  Sb9  1  0.626  0.731  0.026  1.0
  Sb  Sb10  1  0.374  0.269  0.974  1.0
  Sb  Sb11  1  0.974  0.754  0.297  1.0
  Sb  Sb12  1  0.474  0.246  0.203  1.0
  Sb  Sb13  1  0.026  0.246  0.703  1.0
  Sb  Sb14  1  0.126  0.269  0.474  1.0
  Sb  Sb15  1  0.526  0.754  0.797  1.0
  Se  Se16  1  0.529  0.664  0.303  1.0
  Se  Se17  1  0.029  0.336  0.197  1.0
  Se  Se18  1  0.971  0.664  0.803  1.0
  Se  Se19  1  0.171  0.731  0.373  1.0
  Se  Se20  1  0.829  0.269  0.627  1.0
  Se  Se21  1  0.919  0.320  0.408  1.0
  Se  Se22  1  0.081  0.680  0.592  1.0
  Se  Se23  1  0.795  0.791  0.985  1.0
  Se  Se24  1  0.329  0.731  0.873  1.0
  Se  Se25  1  0.705  0.791  0.485  1.0
  Se  Se26  1  0.671  0.269  0.127  1.0
  Se  Se27  1  0.419  0.680  0.092  1.0
  Se  Se28  1  0.013  0.820  0.059  1.0
  Se  Se29  1  0.173  0.212  0.789  1.0
  Se  Se30  1  0.471  0.336  0.697  1.0
  Se  Se31  1  0.327  0.212  0.289  1.0
  Se  Se32  1  0.581  0.320  0.908  1.0
  Se  Se33  1  0.827  0.788  0.211  1.0
  Se  Se34  1  0.673  0.788  0.711  1.0
  Se  Se35  1  0.205  0.209  0.015  1.0
  Se  Se36  1  0.987  0.180  0.941  1.0
  Se  Se37  1  0.487  0.820  0.559  1.0
  Se  Se38  1  0.513  0.180  0.441  1.0
  Se  Se39  1  0.295  0.209  0.515  1.0
[/CIF]
.
The crystal structure described by KTh(SbSe3)2 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 9-coordinate geometry to one Se(2), one Se(3), one Se(5), two equivalent Se(1), two equivalent Se(4), and two equivalent Se(6) atoms. Th(1) is bonded in a 9-coordinate geometry to one Se(1), one Se(2), two equivalent Se(4), two equivalent Se(6), and three equivalent Se(5) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 5-coordinate geometry to one Se(4), two equivalent Se(2), and three equivalent Se(3) atoms. In the second Sb site, Sb(2) is bonded to one Se(2), one Se(6), two equivalent Se(1), and two equivalent Se(3) atoms to form distorted edge-sharing SbSe6 octahedra. There are six inequivalent Se sites. In the first Se site, Se(1) is bonded in a 4-coordinate geometry to two equivalent K(1), one Th(1), and two equivalent Sb(2) atoms. In the second Se site, Se(2) is bonded to one K(1), one Th(1), one Sb(2), and two equivalent Sb(1) atoms to form distorted SeKThSb3 trigonal bipyramids that share  a cornercorner with one Se(6)K2Th2Sb square pyramid, corners with two equivalent Se(4)K2Th2Sb square pyramids, corners with two equivalent Se(2)KThSb3 trigonal bipyramids, edges with two equivalent Se(4)K2Th2Sb square pyramids, and edges with two equivalent Se(6)K2Th2Sb square pyramids. In the third Se site, Se(3) is bonded in a 6-coordinate geometry to one K(1), two equivalent Sb(2), and three equivalent Sb(1) atoms. In the fourth Se site, Se(4) is bonded to two equivalent K(1), two equivalent Th(1), and one Sb(1) atom to form distorted SeK2Th2Sb square pyramids that share corners with four equivalent Se(6)K2Th2Sb square pyramids, corners with two equivalent Se(2)KThSb3 trigonal bipyramids, edges with two equivalent Se(4)K2Th2Sb square pyramids, edges with two equivalent Se(6)K2Th2Sb square pyramids, and edges with two equivalent Se(2)KThSb3 trigonal bipyramids. In the fifth Se site, Se(5) is bonded in a 5-coordinate geometry to one K(1), three equivalent Th(1), and one Se(5) atom. In the sixth Se site, Se(6) is bonded to two equivalent K(1), two equivalent Th(1), and one Sb(2) atom to form SeK2Th2Sb square pyramids that share corners with four equivalent Se(4)K2Th2Sb square pyramids,  a cornercorner with one Se(2)KThSb3 trigonal bipyramid, edges with two equivalent Se(4)K2Th2Sb square pyramids, edges with two equivalent Se(6)K2Th2Sb square pyramids, and edges with two equivalent Se(2)KThSb3 trigonal bipyramids. is represented by the CIF card [CIF]
data_KTh(SbSe3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.317
_cell_length_b   4.300
_cell_length_c   17.294
_cell_angle_alpha   87.402
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1137.907
_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  0.287  0.735  0.673  1.0
  K  K1  1  0.213  0.735  0.173  1.0
  K  K2  1  0.713  0.265  0.327  1.0
  K  K3  1  0.787  0.265  0.827  1.0
  Th  Th4  1  0.871  0.300  0.091  1.0
  Th  Th5  1  0.129  0.700  0.909  1.0
  Th  Th6  1  0.629  0.300  0.591  1.0
  Th  Th7  1  0.371  0.700  0.409  1.0
  Sb  Sb8  1  0.874  0.731  0.526  1.0
  Sb  Sb9  1  0.626  0.731  0.026  1.0
  Sb  Sb10  1  0.374  0.269  0.974  1.0
  Sb  Sb11  1  0.974  0.754  0.297  1.0
  Sb  Sb12  1  0.474  0.246  0.203  1.0
  Sb  Sb13  1  0.026  0.246  0.703  1.0
  Sb  Sb14  1  0.126  0.269  0.474  1.0
  Sb  Sb15  1  0.526  0.754  0.797  1.0
  Se  Se16  1  0.529  0.664  0.303  1.0
  Se  Se17  1  0.029  0.336  0.197  1.0
  Se  Se18  1  0.971  0.664  0.803  1.0
  Se  Se19  1  0.171  0.731  0.373  1.0
  Se  Se20  1  0.829  0.269  0.627  1.0
  Se  Se21  1  0.919  0.320  0.408  1.0
  Se  Se22  1  0.081  0.680  0.592  1.0
  Se  Se23  1  0.795  0.791  0.985  1.0
  Se  Se24  1  0.329  0.731  0.873  1.0
  Se  Se25  1  0.705  0.791  0.485  1.0
  Se  Se26  1  0.671  0.269  0.127  1.0
  Se  Se27  1  0.419  0.680  0.092  1.0
  Se  Se28  1  0.013  0.820  0.059  1.0
  Se  Se29  1  0.173  0.212  0.789  1.0
  Se  Se30  1  0.471  0.336  0.697  1.0
  Se  Se31  1  0.327  0.212  0.289  1.0
  Se  Se32  1  0.581  0.320  0.908  1.0
  Se  Se33  1  0.827  0.788  0.211  1.0
  Se  Se34  1  0.673  0.788  0.711  1.0
  Se  Se35  1  0.205  0.209  0.015  1.0
  Se  Se36  1  0.987  0.180  0.941  1.0
  Se  Se37  1  0.487  0.820  0.559  1.0
  Se  Se38  1  0.513  0.180  0.441  1.0
  Se  Se39  1  0.295  0.209  0.515  1.0
[/CIF]
.