The structure described by Cd4Te3Se is Enargite-like structured and crystallizes in the trigonal R3m space group. There are four inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to three equivalent Te(3) and one Se(1) atom to form CdTe3Se tetrahedra that share corners with three equivalent Cd(4)Te4 tetrahedra, corners with three equivalent Cd(2)TeSe3 tetrahedra, and corners with six equivalent Cd(1)Te3Se 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 three equivalent Cd(1)Te3Se tetrahedra, corners with three equivalent Cd(3)Te4 tetrahedra, and corners with six equivalent Cd(2)TeSe3 tetrahedra. In the third Cd site, Cd(3) is bonded to one Te(2) and three equivalent Te(1) atoms to form CdTe4 tetrahedra that share corners with three equivalent Cd(4)Te4 tetrahedra, corners with three equivalent Cd(2)TeSe3 tetrahedra, and corners with six equivalent Cd(3)Te4 tetrahedra. In the fourth Cd site, Cd(4) is bonded to one Te(3) and three equivalent Te(2) atoms to form CdTe4 tetrahedra that share corners with three equivalent Cd(1)Te3Se tetrahedra, corners with three equivalent Cd(3)Te4 tetrahedra, and corners with six equivalent Cd(4)Te4 tetrahedra. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to one Cd(2) and three equivalent Cd(3) atoms to form TeCd4 tetrahedra that share corners with three equivalent Te(2)Cd4 tetrahedra, corners with three equivalent Se(1)Cd4 tetrahedra, and corners with six equivalent Te(1)Cd4 tetrahedra. In the second Te site, Te(2) is bonded to one Cd(3) and three equivalent Cd(4) atoms to form corner-sharing TeCd4 tetrahedra. In the third Te site, Te(3) is bonded to one Cd(4) and three equivalent Cd(1) atoms to form TeCd4 tetrahedra that share corners with three equivalent Te(2)Cd4 tetrahedra, corners with three equivalent Se(1)Cd4 tetrahedra, and corners with six equivalent Te(3)Cd4 tetrahedra. Se(1) is bonded to one Cd(1) and three equivalent Cd(2) atoms to form SeCd4 tetrahedra that share corners with three equivalent Te(1)Cd4 tetrahedra, corners with three equivalent Te(3)Cd4 tetrahedra, and corners with six equivalent Se(1)Cd4 tetrahedra. is represented by the CIF file [CIF]
data_Cd4Te3Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.277
_cell_length_b   15.277
_cell_length_c   15.277
_cell_angle_alpha   17.405
_cell_angle_beta   17.405
_cell_angle_gamma   17.405
_symmetry_Int_Tables_number   1
_cell_volume   278.372
_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  0.003  0.003  0.003  1.0
  Cd  Cd1  1  0.746  0.746  0.746  1.0
  Cd  Cd2  1  0.499  0.499  0.499  1.0
  Cd  Cd3  1  0.251  0.251  0.251  1.0
  Te  Te4  1  0.810  0.810  0.810  1.0
  Te  Te5  1  0.562  0.562  0.562  1.0
  Te  Te6  1  0.314  0.314  0.314  1.0
  Se  Se7  1  0.063  0.063  0.063  1.0
[/CIF]
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The structure described by Cd4Te3Se is Enargite-like structured and crystallizes in the trigonal R3m space group. There are four inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to three equivalent Te(3) and one Se(1) atom to form CdTe3Se tetrahedra that share corners with three equivalent Cd(4)Te4 tetrahedra, corners with three equivalent Cd(2)TeSe3 tetrahedra, and corners with six equivalent Cd(1)Te3Se 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 three equivalent Cd(1)Te3Se tetrahedra, corners with three equivalent Cd(3)Te4 tetrahedra, and corners with six equivalent Cd(2)TeSe3 tetrahedra. In the third Cd site, Cd(3) is bonded to one Te(2) and three equivalent Te(1) atoms to form CdTe4 tetrahedra that share corners with three equivalent Cd(4)Te4 tetrahedra, corners with three equivalent Cd(2)TeSe3 tetrahedra, and corners with six equivalent Cd(3)Te4 tetrahedra. In the fourth Cd site, Cd(4) is bonded to one Te(3) and three equivalent Te(2) atoms to form CdTe4 tetrahedra that share corners with three equivalent Cd(1)Te3Se tetrahedra, corners with three equivalent Cd(3)Te4 tetrahedra, and corners with six equivalent Cd(4)Te4 tetrahedra. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to one Cd(2) and three equivalent Cd(3) atoms to form TeCd4 tetrahedra that share corners with three equivalent Te(2)Cd4 tetrahedra, corners with three equivalent Se(1)Cd4 tetrahedra, and corners with six equivalent Te(1)Cd4 tetrahedra. In the second Te site, Te(2) is bonded to one Cd(3) and three equivalent Cd(4) atoms to form corner-sharing TeCd4 tetrahedra. In the third Te site, Te(3) is bonded to one Cd(4) and three equivalent Cd(1) atoms to form TeCd4 tetrahedra that share corners with three equivalent Te(2)Cd4 tetrahedra, corners with three equivalent Se(1)Cd4 tetrahedra, and corners with six equivalent Te(3)Cd4 tetrahedra. Se(1) is bonded to one Cd(1) and three equivalent Cd(2) atoms to form SeCd4 tetrahedra that share corners with three equivalent Te(1)Cd4 tetrahedra, corners with three equivalent Te(3)Cd4 tetrahedra, and corners with six equivalent Se(1)Cd4 tetrahedra. is represented by the CIF file [CIF]
data_Cd4Te3Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.277
_cell_length_b   15.277
_cell_length_c   15.277
_cell_angle_alpha   17.405
_cell_angle_beta   17.405
_cell_angle_gamma   17.405
_symmetry_Int_Tables_number   1
_cell_volume   278.372
_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  0.003  0.003  0.003  1.0
  Cd  Cd1  1  0.746  0.746  0.746  1.0
  Cd  Cd2  1  0.499  0.499  0.499  1.0
  Cd  Cd3  1  0.251  0.251  0.251  1.0
  Te  Te4  1  0.810  0.810  0.810  1.0
  Te  Te5  1  0.562  0.562  0.562  1.0
  Te  Te6  1  0.314  0.314  0.314  1.0
  Se  Se7  1  0.063  0.063  0.063  1.0
[/CIF]
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