The structure described by K3Th is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to four equivalent K(1), four equivalent K(2), and four equivalent Th(1) atoms to form distorted KK8Th4 cuboctahedra that share corners with twelve equivalent K(1)K8Th4 cuboctahedra, edges with eight equivalent K(1)K8Th4 cuboctahedra, edges with eight equivalent Th(1)K12 cuboctahedra, faces with four equivalent Th(1)K12 cuboctahedra, and faces with ten equivalent K(1)K8Th4 cuboctahedra. In the second K site, K(2) is bonded in a square co-planar geometry to eight equivalent K(1) and four equivalent Th(1) atoms. Th(1) is bonded to four equivalent K(2) and eight equivalent K(1) atoms to form ThK12 cuboctahedra that share corners with four equivalent Th(1)K12 cuboctahedra, edges with eight equivalent Th(1)K12 cuboctahedra, edges with sixteen equivalent K(1)K8Th4 cuboctahedra, faces with four equivalent Th(1)K12 cuboctahedra, and faces with eight equivalent K(1)K8Th4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3Th
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.752
_cell_length_b   7.752
_cell_length_c   7.752
_cell_angle_alpha   137.445
_cell_angle_beta   137.445
_cell_angle_gamma   61.754
_symmetry_Int_Tables_number   1
_cell_volume   210.625
_cell_formula_units_Z   1
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  0.750  0.250  0.500  1.0
  K  K1  1  0.250  0.750  0.500  1.0
  K  K2  1  0.500  0.500  0.000  1.0
  Th  Th3  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by K3Th is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to four equivalent K(1), four equivalent K(2), and four equivalent Th(1) atoms to form distorted KK8Th4 cuboctahedra that share corners with twelve equivalent K(1)K8Th4 cuboctahedra, edges with eight equivalent K(1)K8Th4 cuboctahedra, edges with eight equivalent Th(1)K12 cuboctahedra, faces with four equivalent Th(1)K12 cuboctahedra, and faces with ten equivalent K(1)K8Th4 cuboctahedra. In the second K site, K(2) is bonded in a square co-planar geometry to eight equivalent K(1) and four equivalent Th(1) atoms. Th(1) is bonded to four equivalent K(2) and eight equivalent K(1) atoms to form ThK12 cuboctahedra that share corners with four equivalent Th(1)K12 cuboctahedra, edges with eight equivalent Th(1)K12 cuboctahedra, edges with sixteen equivalent K(1)K8Th4 cuboctahedra, faces with four equivalent Th(1)K12 cuboctahedra, and faces with eight equivalent K(1)K8Th4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3Th
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.752
_cell_length_b   7.752
_cell_length_c   7.752
_cell_angle_alpha   137.445
_cell_angle_beta   137.445
_cell_angle_gamma   61.754
_symmetry_Int_Tables_number   1
_cell_volume   210.625
_cell_formula_units_Z   1
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  0.750  0.250  0.500  1.0
  K  K1  1  0.250  0.750  0.500  1.0
  K  K2  1  0.500  0.500  0.000  1.0
  Th  Th3  1  0.000  0.000  0.000  1.0
[/CIF]
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