The compound described by K5ThF9 crystallizes in the orthorhombic Cmc2_1 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to one F(1), one F(3), one F(4), one F(5), one F(6), one F(7), and two equivalent F(2) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to one F(2), one F(3), one F(4), one F(5), one F(6), one F(7), and two equivalent F(1) atoms. In the third K site, K(3) is bonded to one F(7), two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form distorted corner-sharing KF7 pentagonal bipyramids. Th(1) is bonded in a 8-coordinate geometry to one F(4), one F(5), one F(6), one F(7), two equivalent F(1), and two equivalent F(2) atoms. There are seven inequivalent F sites. In the first F site, F(3) is bonded to two equivalent K(1), two equivalent K(2), and two equivalent K(3) atoms to form FK6 octahedra that share corners with two equivalent F(3)K6 octahedra, corners with two equivalent F(4)K4Th square pyramids, corners with two equivalent F(6)K4Th trigonal bipyramids,  an edgeedge with one F(4)K4Th square pyramid,  an edgeedge with one F(6)K4Th trigonal bipyramid, edges with two equivalent F(5)K4Th trigonal bipyramids, and faces with two equivalent F(7)K5Th octahedra. The corner-sharing octahedral tilt angles are 40°. In the second F site, F(4) is bonded to two equivalent K(1), two equivalent K(2), and one Th(1) atom to form FK4Th square pyramids that share corners with two equivalent F(7)K5Th octahedra, corners with two equivalent F(3)K6 octahedra,  a cornercorner with one F(6)K4Th trigonal bipyramid, corners with two equivalent F(5)K4Th trigonal bipyramids,  an edgeedge with one F(3)K6 octahedra, edges with two equivalent F(6)K4Th trigonal bipyramids,  a faceface with one F(7)K5Th octahedra, and  a faceface with one F(5)K4Th trigonal bipyramid. The corner-sharing octahedral tilt angles range from 38-44°. In the third F site, F(5) is bonded to two equivalent K(1), two equivalent K(2), and one Th(1) atom to form distorted FK4Th trigonal bipyramids that share corners with five equivalent F(7)K5Th octahedra, corners with two equivalent F(4)K4Th square pyramids, corners with three equivalent F(6)K4Th trigonal bipyramids, edges with two equivalent F(3)K6 octahedra,  an edgeedge with one F(6)K4Th trigonal bipyramid, and  a faceface with one F(4)K4Th square pyramid. The corner-sharing octahedral tilt angles range from 25-46°. In the fourth F site, F(6) is bonded to two equivalent K(1), two equivalent K(2), and one Th(1) atom to form distorted FK4Th trigonal bipyramids that share corners with two equivalent F(7)K5Th octahedra, corners with two equivalent F(3)K6 octahedra,  a cornercorner with one F(4)K4Th square pyramid, corners with three equivalent F(5)K4Th trigonal bipyramids,  an edgeedge with one F(3)K6 octahedra, edges with two equivalent F(4)K4Th square pyramids,  an edgeedge with one F(5)K4Th trigonal bipyramid, and  a faceface with one F(7)K5Th octahedra. The corner-sharing octahedral tilt angles range from 40-46°. In the fifth F site, F(7) is bonded to one K(3), two equivalent K(1), two equivalent K(2), and one Th(1) atom to form FK5Th octahedra that share corners with two equivalent F(4)K4Th square pyramids, corners with two equivalent F(6)K4Th trigonal bipyramids, corners with five equivalent F(5)K4Th trigonal bipyramids, faces with two equivalent F(3)K6 octahedra,  a faceface with one F(4)K4Th square pyramid, and  a faceface with one F(6)K4Th trigonal bipyramid. In the sixth F site, F(1) is bonded in a 5-coordinate geometry to one K(1), one K(3), two equivalent K(2), and one Th(1) atom. In the seventh F site, F(2) is bonded in a 5-coordinate geometry to one K(2), one K(3), two equivalent K(1), and one Th(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K5ThF9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.494
_cell_length_b   7.494
_cell_length_c   10.511
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   116.705
_symmetry_Int_Tables_number   1
_cell_volume   527.311
_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  0.145  0.352  0.901  1.0
  K  K1  1  0.855  0.648  0.401  1.0
  K  K2  1  0.648  0.855  0.901  1.0
  K  K3  1  0.352  0.145  0.401  1.0
  K  K4  1  0.120  0.398  0.552  1.0
  K  K5  1  0.880  0.602  0.052  1.0
  K  K6  1  0.602  0.880  0.552  1.0
  K  K7  1  0.398  0.120  0.052  1.0
  K  K8  1  0.576  0.424  0.711  1.0
  K  K9  1  0.424  0.576  0.211  1.0
  Th  Th10  1  0.162  0.838  0.750  1.0
  Th  Th11  1  0.838  0.162  0.250  1.0
  F  F12  1  0.498  0.054  0.770  1.0
  F  F13  1  0.502  0.946  0.270  1.0
  F  F14  1  0.946  0.502  0.770  1.0
  F  F15  1  0.054  0.498  0.270  1.0
  F  F16  1  0.213  0.152  0.679  1.0
  F  F17  1  0.787  0.848  0.179  1.0
  F  F18  1  0.848  0.787  0.679  1.0
  F  F19  1  0.152  0.213  0.179  1.0
  F  F20  1  0.519  0.481  0.961  1.0
  F  F21  1  0.481  0.519  0.461  1.0
  F  F22  1  0.248  0.752  0.954  1.0
  F  F23  1  0.752  0.248  0.454  1.0
  F  F24  1  0.959  0.041  0.413  1.0
  F  F25  1  0.041  0.959  0.913  1.0
  F  F26  1  0.799  0.201  0.036  1.0
  F  F27  1  0.201  0.799  0.536  1.0
  F  F28  1  0.649  0.351  0.225  1.0
  F  F29  1  0.351  0.649  0.725  1.0
[/CIF]
.
The compound described by K5ThF9 crystallizes in the orthorhombic Cmc2_1 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to one F(1), one F(3), one F(4), one F(5), one F(6), one F(7), and two equivalent F(2) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to one F(2), one F(3), one F(4), one F(5), one F(6), one F(7), and two equivalent F(1) atoms. In the third K site, K(3) is bonded to one F(7), two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form distorted corner-sharing KF7 pentagonal bipyramids. Th(1) is bonded in a 8-coordinate geometry to one F(4), one F(5), one F(6), one F(7), two equivalent F(1), and two equivalent F(2) atoms. There are seven inequivalent F sites. In the first F site, F(3) is bonded to two equivalent K(1), two equivalent K(2), and two equivalent K(3) atoms to form FK6 octahedra that share corners with two equivalent F(3)K6 octahedra, corners with two equivalent F(4)K4Th square pyramids, corners with two equivalent F(6)K4Th trigonal bipyramids,  an edgeedge with one F(4)K4Th square pyramid,  an edgeedge with one F(6)K4Th trigonal bipyramid, edges with two equivalent F(5)K4Th trigonal bipyramids, and faces with two equivalent F(7)K5Th octahedra. The corner-sharing octahedral tilt angles are 40°. In the second F site, F(4) is bonded to two equivalent K(1), two equivalent K(2), and one Th(1) atom to form FK4Th square pyramids that share corners with two equivalent F(7)K5Th octahedra, corners with two equivalent F(3)K6 octahedra,  a cornercorner with one F(6)K4Th trigonal bipyramid, corners with two equivalent F(5)K4Th trigonal bipyramids,  an edgeedge with one F(3)K6 octahedra, edges with two equivalent F(6)K4Th trigonal bipyramids,  a faceface with one F(7)K5Th octahedra, and  a faceface with one F(5)K4Th trigonal bipyramid. The corner-sharing octahedral tilt angles range from 38-44°. In the third F site, F(5) is bonded to two equivalent K(1), two equivalent K(2), and one Th(1) atom to form distorted FK4Th trigonal bipyramids that share corners with five equivalent F(7)K5Th octahedra, corners with two equivalent F(4)K4Th square pyramids, corners with three equivalent F(6)K4Th trigonal bipyramids, edges with two equivalent F(3)K6 octahedra,  an edgeedge with one F(6)K4Th trigonal bipyramid, and  a faceface with one F(4)K4Th square pyramid. The corner-sharing octahedral tilt angles range from 25-46°. In the fourth F site, F(6) is bonded to two equivalent K(1), two equivalent K(2), and one Th(1) atom to form distorted FK4Th trigonal bipyramids that share corners with two equivalent F(7)K5Th octahedra, corners with two equivalent F(3)K6 octahedra,  a cornercorner with one F(4)K4Th square pyramid, corners with three equivalent F(5)K4Th trigonal bipyramids,  an edgeedge with one F(3)K6 octahedra, edges with two equivalent F(4)K4Th square pyramids,  an edgeedge with one F(5)K4Th trigonal bipyramid, and  a faceface with one F(7)K5Th octahedra. The corner-sharing octahedral tilt angles range from 40-46°. In the fifth F site, F(7) is bonded to one K(3), two equivalent K(1), two equivalent K(2), and one Th(1) atom to form FK5Th octahedra that share corners with two equivalent F(4)K4Th square pyramids, corners with two equivalent F(6)K4Th trigonal bipyramids, corners with five equivalent F(5)K4Th trigonal bipyramids, faces with two equivalent F(3)K6 octahedra,  a faceface with one F(4)K4Th square pyramid, and  a faceface with one F(6)K4Th trigonal bipyramid. In the sixth F site, F(1) is bonded in a 5-coordinate geometry to one K(1), one K(3), two equivalent K(2), and one Th(1) atom. In the seventh F site, F(2) is bonded in a 5-coordinate geometry to one K(2), one K(3), two equivalent K(1), and one Th(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K5ThF9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.494
_cell_length_b   7.494
_cell_length_c   10.511
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   116.705
_symmetry_Int_Tables_number   1
_cell_volume   527.311
_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  0.145  0.352  0.901  1.0
  K  K1  1  0.855  0.648  0.401  1.0
  K  K2  1  0.648  0.855  0.901  1.0
  K  K3  1  0.352  0.145  0.401  1.0
  K  K4  1  0.120  0.398  0.552  1.0
  K  K5  1  0.880  0.602  0.052  1.0
  K  K6  1  0.602  0.880  0.552  1.0
  K  K7  1  0.398  0.120  0.052  1.0
  K  K8  1  0.576  0.424  0.711  1.0
  K  K9  1  0.424  0.576  0.211  1.0
  Th  Th10  1  0.162  0.838  0.750  1.0
  Th  Th11  1  0.838  0.162  0.250  1.0
  F  F12  1  0.498  0.054  0.770  1.0
  F  F13  1  0.502  0.946  0.270  1.0
  F  F14  1  0.946  0.502  0.770  1.0
  F  F15  1  0.054  0.498  0.270  1.0
  F  F16  1  0.213  0.152  0.679  1.0
  F  F17  1  0.787  0.848  0.179  1.0
  F  F18  1  0.848  0.787  0.679  1.0
  F  F19  1  0.152  0.213  0.179  1.0
  F  F20  1  0.519  0.481  0.961  1.0
  F  F21  1  0.481  0.519  0.461  1.0
  F  F22  1  0.248  0.752  0.954  1.0
  F  F23  1  0.752  0.248  0.454  1.0
  F  F24  1  0.959  0.041  0.413  1.0
  F  F25  1  0.041  0.959  0.913  1.0
  F  F26  1  0.799  0.201  0.036  1.0
  F  F27  1  0.201  0.799  0.536  1.0
  F  F28  1  0.649  0.351  0.225  1.0
  F  F29  1  0.351  0.649  0.725  1.0
[/CIF]
.