The compound described by Cd2TeSe is Enargite-like structured and crystallizes in the trigonal R3m space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to three equivalent Te(1) and one Se(1) atom to form CdTe3Se tetrahedra that share corners with six equivalent Cd(1)Te3Se tetrahedra and corners with six equivalent Cd(2)TeSe3 tetrahedra. In the second Cd site, Cd(2) is bonded to one Te(1) and three equivalent Se(1) atoms to form CdTeSe3 tetrahedra that share corners with six equivalent Cd(1)Te3Se tetrahedra and corners with six equivalent Cd(2)TeSe3 tetrahedra. Te(1) is bonded to one Cd(2) and three equivalent Cd(1) atoms to form TeCd4 tetrahedra that share corners with six equivalent Te(1)Cd4 tetrahedra and corners with six equivalent Se(1)Cd4 tetrahedra. Se(1) is bonded to one Cd(1) and three equivalent Cd(2) atoms to form SeCd4 tetrahedra that share corners with six equivalent Te(1)Cd4 tetrahedra and corners with six equivalent Se(1)Cd4 tetrahedra. is represented by the CIF card [CIF]
data_Cd2TeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.778
_cell_length_b   7.778
_cell_length_c   7.778
_cell_angle_alpha   33.589
_cell_angle_beta   33.589
_cell_angle_gamma   33.589
_symmetry_Int_Tables_number   1
_cell_volume   128.264
_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
  Cd  Cd0  1  0.995  0.995  0.995  1.0
  Cd  Cd1  1  0.505  0.505  0.505  1.0
  Te  Te2  1  0.376  0.376  0.376  1.0
  Se  Se3  1  0.874  0.874  0.874  1.0
[/CIF]
.
The compound described by Cd2TeSe is Enargite-like structured and crystallizes in the trigonal R3m space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to three equivalent Te(1) and one Se(1) atom to form CdTe3Se tetrahedra that share corners with six equivalent Cd(1)Te3Se tetrahedra and corners with six equivalent Cd(2)TeSe3 tetrahedra. In the second Cd site, Cd(2) is bonded to one Te(1) and three equivalent Se(1) atoms to form CdTeSe3 tetrahedra that share corners with six equivalent Cd(1)Te3Se tetrahedra and corners with six equivalent Cd(2)TeSe3 tetrahedra. Te(1) is bonded to one Cd(2) and three equivalent Cd(1) atoms to form TeCd4 tetrahedra that share corners with six equivalent Te(1)Cd4 tetrahedra and corners with six equivalent Se(1)Cd4 tetrahedra. Se(1) is bonded to one Cd(1) and three equivalent Cd(2) atoms to form SeCd4 tetrahedra that share corners with six equivalent Te(1)Cd4 tetrahedra and corners with six equivalent Se(1)Cd4 tetrahedra. is represented by the CIF card [CIF]
data_Cd2TeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.778
_cell_length_b   7.778
_cell_length_c   7.778
_cell_angle_alpha   33.589
_cell_angle_beta   33.589
_cell_angle_gamma   33.589
_symmetry_Int_Tables_number   1
_cell_volume   128.264
_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
  Cd  Cd0  1  0.995  0.995  0.995  1.0
  Cd  Cd1  1  0.505  0.505  0.505  1.0
  Te  Te2  1  0.376  0.376  0.376  1.0
  Se  Se3  1  0.874  0.874  0.874  1.0
[/CIF]
.