The compound described by Rb(ThSe3)2 crystallizes in the orthorhombic Immm space group. Rb(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Se(1) 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 in a 6-coordinate geometry to two equivalent Rb(1), two equivalent Th(1), and two equivalent Se(1) atoms. In the second Se site, Se(2) is bonded to four equivalent Th(1) atoms to form a mixture of distorted edge and corner-sharing SeTh4 tetrahedra. is represented by the CIF card [CIF]
data_Rb(ThSe3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.243
_cell_length_b   5.593
_cell_length_c   11.933
_cell_angle_alpha   103.554
_cell_angle_beta   100.240
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   270.629
_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
  Rb  Rb0  1  0.000  0.000  0.000  1.0
  Th  Th1  1  0.821  0.321  0.641  1.0
  Th  Th2  1  0.179  0.679  0.359  1.0
  Se  Se3  1  0.393  0.149  0.785  1.0
  Se  Se4  1  0.229  0.229  0.458  1.0
  Se  Se5  1  0.607  0.363  0.215  1.0
  Se  Se6  1  0.393  0.637  0.785  1.0
  Se  Se7  1  0.607  0.851  0.215  1.0
  Se  Se8  1  0.771  0.771  0.542  1.0
[/CIF]
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The compound described by Rb(ThSe3)2 crystallizes in the orthorhombic Immm space group. Rb(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Se(1) 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 in a 6-coordinate geometry to two equivalent Rb(1), two equivalent Th(1), and two equivalent Se(1) atoms. In the second Se site, Se(2) is bonded to four equivalent Th(1) atoms to form a mixture of distorted edge and corner-sharing SeTh4 tetrahedra. is represented by the CIF card [CIF]
data_Rb(ThSe3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.243
_cell_length_b   5.593
_cell_length_c   11.933
_cell_angle_alpha   103.554
_cell_angle_beta   100.240
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   270.629
_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
  Rb  Rb0  1  0.000  0.000  0.000  1.0
  Th  Th1  1  0.821  0.321  0.641  1.0
  Th  Th2  1  0.179  0.679  0.359  1.0
  Se  Se3  1  0.393  0.149  0.785  1.0
  Se  Se4  1  0.229  0.229  0.458  1.0
  Se  Se5  1  0.607  0.363  0.215  1.0
  Se  Se6  1  0.393  0.637  0.785  1.0
  Se  Se7  1  0.607  0.851  0.215  1.0
  Se  Se8  1  0.771  0.771  0.542  1.0
[/CIF]
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