The material described by CdZnS2 is Enargite-like structured and crystallizes in the trigonal P3m1 space group. Cd(1) is bonded to one S(1) and three equivalent S(2) atoms to form CdS4 tetrahedra that share corners with six equivalent Cd(1)S4 tetrahedra and corners with six equivalent Zn(1)S4 tetrahedra. Zn(1) is bonded to one S(2) and three equivalent S(1) atoms to form ZnS4 tetrahedra that share corners with six equivalent Cd(1)S4 tetrahedra and corners with six equivalent Zn(1)S4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Cd(1) and three equivalent Zn(1) atoms to form SZn3Cd tetrahedra that share corners with six equivalent S(1)Zn3Cd tetrahedra and corners with six equivalent S(2)ZnCd3 tetrahedra. In the second S site, S(2) is bonded to three equivalent Cd(1) and one Zn(1) atom to form SZnCd3 tetrahedra that share corners with six equivalent S(1)Zn3Cd tetrahedra and corners with six equivalent S(2)ZnCd3 tetrahedra. is represented by the CIF card [CIF]
data_ZnCdS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.011
_cell_length_b   4.011
_cell_length_c   6.631
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   92.373
_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  0.000  0.000  1.000  1.0
  Cd  Cd1  1  0.333  0.667  0.506  1.0
  S  S2  1  0.333  0.667  0.892  1.0
  S  S3  1  0.000  0.000  0.355  1.0
[/CIF]
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The material described by CdZnS2 is Enargite-like structured and crystallizes in the trigonal P3m1 space group. Cd(1) is bonded to one S(1) and three equivalent S(2) atoms to form CdS4 tetrahedra that share corners with six equivalent Cd(1)S4 tetrahedra and corners with six equivalent Zn(1)S4 tetrahedra. Zn(1) is bonded to one S(2) and three equivalent S(1) atoms to form ZnS4 tetrahedra that share corners with six equivalent Cd(1)S4 tetrahedra and corners with six equivalent Zn(1)S4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Cd(1) and three equivalent Zn(1) atoms to form SZn3Cd tetrahedra that share corners with six equivalent S(1)Zn3Cd tetrahedra and corners with six equivalent S(2)ZnCd3 tetrahedra. In the second S site, S(2) is bonded to three equivalent Cd(1) and one Zn(1) atom to form SZnCd3 tetrahedra that share corners with six equivalent S(1)Zn3Cd tetrahedra and corners with six equivalent S(2)ZnCd3 tetrahedra. is represented by the CIF card [CIF]
data_ZnCdS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.011
_cell_length_b   4.011
_cell_length_c   6.631
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   92.373
_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  0.000  0.000  1.000  1.0
  Cd  Cd1  1  0.333  0.667  0.506  1.0
  S  S2  1  0.333  0.667  0.892  1.0
  S  S3  1  0.000  0.000  0.355  1.0
[/CIF]
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