The compound described by K(ThSe3)2 crystallizes in the orthorhombic Immm space group. K(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Se(2) atoms. Th(1) is bonded in a 8-coordinate geometry to four equivalent Se(1) and four equivalent Se(2) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to four equivalent Th(1) atoms to form a mixture of distorted edge and corner-sharing SeTh4 tetrahedra. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent Th(1), and two equivalent Se(2) atoms. is represented by the CIF card [CIF]
data_K(ThSe3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.606
_cell_length_b   11.606
_cell_length_c   11.606
_cell_angle_alpha   158.974
_cell_angle_beta   152.175
_cell_angle_gamma   35.135
_symmetry_Int_Tables_number   1
_cell_volume   261.531
_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  0.000  0.000  0.000  1.0
  Th  Th1  1  0.323  0.823  0.500  1.0
  Th  Th2  1  0.677  0.177  0.500  1.0
  Se  Se3  1  0.228  0.228  0.000  1.0
  Se  Se4  1  0.357  0.603  0.755  1.0
  Se  Se5  1  0.643  0.397  0.245  1.0
  Se  Se6  1  0.152  0.397  0.755  1.0
  Se  Se7  1  0.848  0.603  0.245  1.0
  Se  Se8  1  0.772  0.772  1.000  1.0
[/CIF]
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The compound described by K(ThSe3)2 crystallizes in the orthorhombic Immm space group. K(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Se(2) atoms. Th(1) is bonded in a 8-coordinate geometry to four equivalent Se(1) and four equivalent Se(2) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to four equivalent Th(1) atoms to form a mixture of distorted edge and corner-sharing SeTh4 tetrahedra. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent Th(1), and two equivalent Se(2) atoms. is represented by the CIF card [CIF]
data_K(ThSe3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.606
_cell_length_b   11.606
_cell_length_c   11.606
_cell_angle_alpha   158.974
_cell_angle_beta   152.175
_cell_angle_gamma   35.135
_symmetry_Int_Tables_number   1
_cell_volume   261.531
_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  0.000  0.000  0.000  1.0
  Th  Th1  1  0.323  0.823  0.500  1.0
  Th  Th2  1  0.677  0.177  0.500  1.0
  Se  Se3  1  0.228  0.228  0.000  1.0
  Se  Se4  1  0.357  0.603  0.755  1.0
  Se  Se5  1  0.643  0.397  0.245  1.0
  Se  Se6  1  0.152  0.397  0.755  1.0
  Se  Se7  1  0.848  0.603  0.245  1.0
  Se  Se8  1  0.772  0.772  1.000  1.0
[/CIF]
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