The material described by CdZnSeS is Stannite-like structured and crystallizes in the trigonal P3m1 space group. Cd(1) is bonded to three equivalent Se(1) and one S(1) atom to form CdSe3S tetrahedra that share corners with six equivalent Cd(1)Se3S tetrahedra and corners with six equivalent Zn(1)SeS3 tetrahedra. Zn(1) is bonded to one Se(1) and three equivalent S(1) atoms to form ZnSeS3 tetrahedra that share corners with six equivalent Cd(1)Se3S tetrahedra and corners with six equivalent Zn(1)SeS3 tetrahedra. Se(1) is bonded to three equivalent Cd(1) and one Zn(1) atom to form SeZnCd3 tetrahedra that share corners with six equivalent Se(1)ZnCd3 tetrahedra and corners with six equivalent S(1)Zn3Cd tetrahedra. S(1) is bonded to one Cd(1) and three equivalent Zn(1) atoms to form SZn3Cd tetrahedra that share corners with six equivalent Se(1)ZnCd3 tetrahedra and corners with six equivalent S(1)Zn3Cd tetrahedra. is represented by the CIF card [CIF]
data_ZnCdSeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.108
_cell_length_b   4.108
_cell_length_c   6.828
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   99.762
_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  0.333  0.333  0.010  1.0
  Cd  Cd1  1  0.667  0.667  0.483  1.0
  Se  Se2  1  0.333  0.333  0.646  1.0
  S  S3  1  0.667  0.667  0.108  1.0
[/CIF]
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The material described by CdZnSeS is Stannite-like structured and crystallizes in the trigonal P3m1 space group. Cd(1) is bonded to three equivalent Se(1) and one S(1) atom to form CdSe3S tetrahedra that share corners with six equivalent Cd(1)Se3S tetrahedra and corners with six equivalent Zn(1)SeS3 tetrahedra. Zn(1) is bonded to one Se(1) and three equivalent S(1) atoms to form ZnSeS3 tetrahedra that share corners with six equivalent Cd(1)Se3S tetrahedra and corners with six equivalent Zn(1)SeS3 tetrahedra. Se(1) is bonded to three equivalent Cd(1) and one Zn(1) atom to form SeZnCd3 tetrahedra that share corners with six equivalent Se(1)ZnCd3 tetrahedra and corners with six equivalent S(1)Zn3Cd tetrahedra. S(1) is bonded to one Cd(1) and three equivalent Zn(1) atoms to form SZn3Cd tetrahedra that share corners with six equivalent Se(1)ZnCd3 tetrahedra and corners with six equivalent S(1)Zn3Cd tetrahedra. is represented by the CIF card [CIF]
data_ZnCdSeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.108
_cell_length_b   4.108
_cell_length_c   6.828
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   99.762
_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  0.333  0.333  0.010  1.0
  Cd  Cd1  1  0.667  0.667  0.483  1.0
  Se  Se2  1  0.333  0.333  0.646  1.0
  S  S3  1  0.667  0.667  0.108  1.0
[/CIF]
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