The compound described by Cs(ThTe3)2 crystallizes in the orthorhombic Amm2 space group. Cs(1) is bonded in a 8-coordinate geometry to four equivalent Te(3) and four equivalent Te(4) atoms. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 8-coordinate geometry to two equivalent Te(1), two equivalent Te(2), and four equivalent Te(3) atoms. In the second Th site, Th(2) is bonded in a 8-coordinate geometry to two equivalent Te(1), two equivalent Te(2), and four equivalent Te(4) atoms. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent Th(1) and two equivalent Th(2) atoms to form a mixture of distorted corner and edge-sharing TeTh4 trigonal pyramids. In the second Te site, Te(2) is bonded to two equivalent Th(1) and two equivalent Th(2) atoms to form a mixture of distorted corner and edge-sharing TeTh4 trigonal pyramids. In the third Te site, Te(3) is bonded in a 6-coordinate geometry to two equivalent Cs(1), two equivalent Th(1), and two equivalent Te(3) atoms. In the fourth Te site, Te(4) is bonded in a 6-coordinate geometry to two equivalent Cs(1), two equivalent Th(2), and two equivalent Te(4) atoms. is represented by the CIF file [CIF]
data_Cs(ThTe3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.929
_cell_length_b   12.929
_cell_length_c   6.220
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   160.103
_symmetry_Int_Tables_number   1
_cell_volume   353.852
_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
  Cs  Cs0  1  0.497  0.503  0.000  1.0
  Th  Th1  1  0.682  0.318  0.000  1.0
  Th  Th2  1  0.317  0.683  0.500  1.0
  Te  Te3  1  0.273  0.727  0.000  1.0
  Te  Te4  1  0.727  0.273  0.500  1.0
  Te  Te5  1  0.113  0.887  0.246  1.0
  Te  Te6  1  0.887  0.113  0.259  1.0
  Te  Te7  1  0.113  0.887  0.754  1.0
  Te  Te8  1  0.887  0.113  0.741  1.0
[/CIF]
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The compound described by Cs(ThTe3)2 crystallizes in the orthorhombic Amm2 space group. Cs(1) is bonded in a 8-coordinate geometry to four equivalent Te(3) and four equivalent Te(4) atoms. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 8-coordinate geometry to two equivalent Te(1), two equivalent Te(2), and four equivalent Te(3) atoms. In the second Th site, Th(2) is bonded in a 8-coordinate geometry to two equivalent Te(1), two equivalent Te(2), and four equivalent Te(4) atoms. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent Th(1) and two equivalent Th(2) atoms to form a mixture of distorted corner and edge-sharing TeTh4 trigonal pyramids. In the second Te site, Te(2) is bonded to two equivalent Th(1) and two equivalent Th(2) atoms to form a mixture of distorted corner and edge-sharing TeTh4 trigonal pyramids. In the third Te site, Te(3) is bonded in a 6-coordinate geometry to two equivalent Cs(1), two equivalent Th(1), and two equivalent Te(3) atoms. In the fourth Te site, Te(4) is bonded in a 6-coordinate geometry to two equivalent Cs(1), two equivalent Th(2), and two equivalent Te(4) atoms. is represented by the CIF file [CIF]
data_Cs(ThTe3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.929
_cell_length_b   12.929
_cell_length_c   6.220
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   160.103
_symmetry_Int_Tables_number   1
_cell_volume   353.852
_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
  Cs  Cs0  1  0.497  0.503  0.000  1.0
  Th  Th1  1  0.682  0.318  0.000  1.0
  Th  Th2  1  0.317  0.683  0.500  1.0
  Te  Te3  1  0.273  0.727  0.000  1.0
  Te  Te4  1  0.727  0.273  0.500  1.0
  Te  Te5  1  0.113  0.887  0.246  1.0
  Te  Te6  1  0.887  0.113  0.259  1.0
  Te  Te7  1  0.113  0.887  0.754  1.0
  Te  Te8  1  0.887  0.113  0.741  1.0
[/CIF]
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