The compound described by CdZn4Se5 is Enargite-like structured and crystallizes in the trigonal R3m space group. Cd(1) is bonded to one Se(1) and three equivalent Se(5) atoms to form CdSe4 tetrahedra that share corners with three equivalent Zn(1)Se4 tetrahedra, corners with three equivalent Zn(4)Se4 tetrahedra, and corners with six equivalent Cd(1)Se4 tetrahedra. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one Se(2) and three equivalent Se(1) atoms to form ZnSe4 tetrahedra that share corners with three equivalent Cd(1)Se4 tetrahedra, corners with three equivalent Zn(2)Se4 tetrahedra, and corners with six equivalent Zn(1)Se4 tetrahedra. In the second Zn site, Zn(2) is bonded to one Se(3) and three equivalent Se(2) atoms to form corner-sharing ZnSe4 tetrahedra. In the third Zn site, Zn(3) is bonded to one Se(4) and three equivalent Se(3) atoms to form corner-sharing ZnSe4 tetrahedra. In the fourth Zn site, Zn(4) is bonded to one Se(5) and three equivalent Se(4) atoms to form ZnSe4 tetrahedra that share corners with three equivalent Cd(1)Se4 tetrahedra, corners with three equivalent Zn(3)Se4 tetrahedra, and corners with six equivalent Zn(4)Se4 tetrahedra. There are five inequivalent Se sites. In the first Se site, Se(1) is bonded to one Cd(1) and three equivalent Zn(1) atoms to form SeZn3Cd tetrahedra that share corners with three equivalent Se(2)Zn4 tetrahedra, corners with three equivalent Se(5)ZnCd3 tetrahedra, and corners with six equivalent Se(1)Zn3Cd tetrahedra. In the second Se site, Se(2) is bonded to one Zn(1) and three equivalent Zn(2) atoms to form SeZn4 tetrahedra that share corners with three equivalent Se(1)Zn3Cd tetrahedra, corners with three equivalent Se(3)Zn4 tetrahedra, and corners with six equivalent Se(2)Zn4 tetrahedra. In the third Se site, Se(3) is bonded to one Zn(2) and three equivalent Zn(3) atoms to form corner-sharing SeZn4 tetrahedra. In the fourth Se site, Se(4) is bonded to one Zn(3) and three equivalent Zn(4) atoms to form SeZn4 tetrahedra that share corners with three equivalent Se(3)Zn4 tetrahedra, corners with three equivalent Se(5)ZnCd3 tetrahedra, and corners with six equivalent Se(4)Zn4 tetrahedra. In the fifth Se site, Se(5) is bonded to three equivalent Cd(1) and one Zn(4) atom to form SeZnCd3 tetrahedra that share corners with three equivalent Se(1)Zn3Cd tetrahedra, corners with three equivalent Se(4)Zn4 tetrahedra, and corners with six equivalent Se(5)ZnCd3 tetrahedra. is represented by the CIF file [CIF]
data_Zn4CdSe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.122
_cell_length_b   17.122
_cell_length_c   17.122
_cell_angle_alpha   13.829
_cell_angle_beta   13.829
_cell_angle_gamma   13.829
_symmetry_Int_Tables_number   1
_cell_volume   249.552
_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
  Zn  Zn0  1  0.597  0.597  0.597  1.0
  Zn  Zn1  1  0.199  0.199  0.199  1.0
  Zn  Zn2  1  0.801  0.801  0.801  1.0
  Zn  Zn3  1  0.403  0.403  0.403  1.0
  Cd  Cd4  1  0.999  0.999  0.999  1.0
  Se  Se5  1  0.946  0.946  0.946  1.0
  Se  Se6  1  0.548  0.548  0.548  1.0
  Se  Se7  1  0.150  0.150  0.150  1.0
  Se  Se8  1  0.752  0.752  0.752  1.0
  Se  Se9  1  0.354  0.354  0.354  1.0
[/CIF]
.
The compound described by CdZn4Se5 is Enargite-like structured and crystallizes in the trigonal R3m space group. Cd(1) is bonded to one Se(1) and three equivalent Se(5) atoms to form CdSe4 tetrahedra that share corners with three equivalent Zn(1)Se4 tetrahedra, corners with three equivalent Zn(4)Se4 tetrahedra, and corners with six equivalent Cd(1)Se4 tetrahedra. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one Se(2) and three equivalent Se(1) atoms to form ZnSe4 tetrahedra that share corners with three equivalent Cd(1)Se4 tetrahedra, corners with three equivalent Zn(2)Se4 tetrahedra, and corners with six equivalent Zn(1)Se4 tetrahedra. In the second Zn site, Zn(2) is bonded to one Se(3) and three equivalent Se(2) atoms to form corner-sharing ZnSe4 tetrahedra. In the third Zn site, Zn(3) is bonded to one Se(4) and three equivalent Se(3) atoms to form corner-sharing ZnSe4 tetrahedra. In the fourth Zn site, Zn(4) is bonded to one Se(5) and three equivalent Se(4) atoms to form ZnSe4 tetrahedra that share corners with three equivalent Cd(1)Se4 tetrahedra, corners with three equivalent Zn(3)Se4 tetrahedra, and corners with six equivalent Zn(4)Se4 tetrahedra. There are five inequivalent Se sites. In the first Se site, Se(1) is bonded to one Cd(1) and three equivalent Zn(1) atoms to form SeZn3Cd tetrahedra that share corners with three equivalent Se(2)Zn4 tetrahedra, corners with three equivalent Se(5)ZnCd3 tetrahedra, and corners with six equivalent Se(1)Zn3Cd tetrahedra. In the second Se site, Se(2) is bonded to one Zn(1) and three equivalent Zn(2) atoms to form SeZn4 tetrahedra that share corners with three equivalent Se(1)Zn3Cd tetrahedra, corners with three equivalent Se(3)Zn4 tetrahedra, and corners with six equivalent Se(2)Zn4 tetrahedra. In the third Se site, Se(3) is bonded to one Zn(2) and three equivalent Zn(3) atoms to form corner-sharing SeZn4 tetrahedra. In the fourth Se site, Se(4) is bonded to one Zn(3) and three equivalent Zn(4) atoms to form SeZn4 tetrahedra that share corners with three equivalent Se(3)Zn4 tetrahedra, corners with three equivalent Se(5)ZnCd3 tetrahedra, and corners with six equivalent Se(4)Zn4 tetrahedra. In the fifth Se site, Se(5) is bonded to three equivalent Cd(1) and one Zn(4) atom to form SeZnCd3 tetrahedra that share corners with three equivalent Se(1)Zn3Cd tetrahedra, corners with three equivalent Se(4)Zn4 tetrahedra, and corners with six equivalent Se(5)ZnCd3 tetrahedra. is represented by the CIF file [CIF]
data_Zn4CdSe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.122
_cell_length_b   17.122
_cell_length_c   17.122
_cell_angle_alpha   13.829
_cell_angle_beta   13.829
_cell_angle_gamma   13.829
_symmetry_Int_Tables_number   1
_cell_volume   249.552
_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
  Zn  Zn0  1  0.597  0.597  0.597  1.0
  Zn  Zn1  1  0.199  0.199  0.199  1.0
  Zn  Zn2  1  0.801  0.801  0.801  1.0
  Zn  Zn3  1  0.403  0.403  0.403  1.0
  Cd  Cd4  1  0.999  0.999  0.999  1.0
  Se  Se5  1  0.946  0.946  0.946  1.0
  Se  Se6  1  0.548  0.548  0.548  1.0
  Se  Se7  1  0.150  0.150  0.150  1.0
  Se  Se8  1  0.752  0.752  0.752  1.0
  Se  Se9  1  0.354  0.354  0.354  1.0
[/CIF]
.