The material structure described by Cs2Cd3Te4 crystallizes in the orthorhombic Ibam space group. Cs(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Te(1) atoms. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to four equivalent Te(1) atoms to form a mixture of corner and edge-sharing CdTe4 tetrahedra. In the second Cd site, Cd(2) is bonded to four equivalent Te(1) atoms to form a mixture of corner and edge-sharing CdTe4 tetrahedra. Te(1) is bonded in a 7-coordinate geometry to four equivalent Cs(1), one Cd(2), and two equivalent Cd(1) atoms. is represented by the CIF file [CIF]
data_Cs2Cd3Te4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.808
_cell_length_b   10.825
_cell_length_c   10.825
_cell_angle_alpha   76.081
_cell_angle_beta   71.673
_cell_angle_gamma   71.673
_symmetry_Int_Tables_number   1
_cell_volume   709.948
_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
  Cs  Cs0  1  0.731  0.878  0.122  1.0
  Cs  Cs1  1  0.769  0.378  0.622  1.0
  Cs  Cs2  1  0.231  0.622  0.378  1.0
  Cs  Cs3  1  0.269  0.122  0.878  1.0
  Cd  Cd4  1  0.750  0.978  0.522  1.0
  Cd  Cd5  1  0.250  0.750  0.750  1.0
  Cd  Cd6  1  0.250  0.478  0.022  1.0
  Cd  Cd7  1  0.750  0.522  0.978  1.0
  Cd  Cd8  1  0.750  0.250  0.250  1.0
  Cd  Cd9  1  0.250  0.022  0.478  1.0
  Te  Te10  1  0.633  0.274  0.011  1.0
  Te  Te11  1  0.417  0.226  0.489  1.0
  Te  Te12  1  0.583  0.774  0.511  1.0
  Te  Te13  1  0.083  0.011  0.274  1.0
  Te  Te14  1  0.367  0.726  0.989  1.0
  Te  Te15  1  0.133  0.511  0.774  1.0
  Te  Te16  1  0.867  0.489  0.226  1.0
  Te  Te17  1  0.917  0.989  0.726  1.0
[/CIF]
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The material structure described by Cs2Cd3Te4 crystallizes in the orthorhombic Ibam space group. Cs(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Te(1) atoms. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to four equivalent Te(1) atoms to form a mixture of corner and edge-sharing CdTe4 tetrahedra. In the second Cd site, Cd(2) is bonded to four equivalent Te(1) atoms to form a mixture of corner and edge-sharing CdTe4 tetrahedra. Te(1) is bonded in a 7-coordinate geometry to four equivalent Cs(1), one Cd(2), and two equivalent Cd(1) atoms. is represented by the CIF file [CIF]
data_Cs2Cd3Te4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.808
_cell_length_b   10.825
_cell_length_c   10.825
_cell_angle_alpha   76.081
_cell_angle_beta   71.673
_cell_angle_gamma   71.673
_symmetry_Int_Tables_number   1
_cell_volume   709.948
_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
  Cs  Cs0  1  0.731  0.878  0.122  1.0
  Cs  Cs1  1  0.769  0.378  0.622  1.0
  Cs  Cs2  1  0.231  0.622  0.378  1.0
  Cs  Cs3  1  0.269  0.122  0.878  1.0
  Cd  Cd4  1  0.750  0.978  0.522  1.0
  Cd  Cd5  1  0.250  0.750  0.750  1.0
  Cd  Cd6  1  0.250  0.478  0.022  1.0
  Cd  Cd7  1  0.750  0.522  0.978  1.0
  Cd  Cd8  1  0.750  0.250  0.250  1.0
  Cd  Cd9  1  0.250  0.022  0.478  1.0
  Te  Te10  1  0.633  0.274  0.011  1.0
  Te  Te11  1  0.417  0.226  0.489  1.0
  Te  Te12  1  0.583  0.774  0.511  1.0
  Te  Te13  1  0.083  0.011  0.274  1.0
  Te  Te14  1  0.367  0.726  0.989  1.0
  Te  Te15  1  0.133  0.511  0.774  1.0
  Te  Te16  1  0.867  0.489  0.226  1.0
  Te  Te17  1  0.917  0.989  0.726  1.0
[/CIF]
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