The crystal structure described by Cu4CdZn(SnS4)2 is Clathrate-derived structured and crystallizes in the tetragonal P-42m space group. Cu(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form CuS4 tetrahedra that share corners with two equivalent Cd(1)S4 tetrahedra, corners with two equivalent Zn(1)S4 tetrahedra, corners with two equivalent Sn(1)S4 tetrahedra, corners with two equivalent Sn(2)S4 tetrahedra, and corners with four equivalent Cu(1)S4 tetrahedra. Cd(1) is bonded to four equivalent S(1) atoms to form CdS4 tetrahedra that share corners with four equivalent Sn(1)S4 tetrahedra and corners with eight equivalent Cu(1)S4 tetrahedra. Zn(1) is bonded to four equivalent S(2) atoms to form ZnS4 tetrahedra that share corners with four equivalent Sn(2)S4 tetrahedra and corners with eight equivalent Cu(1)S4 tetrahedra. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to four equivalent S(1) atoms to form SnS4 tetrahedra that share corners with four equivalent Cd(1)S4 tetrahedra and corners with eight equivalent Cu(1)S4 tetrahedra. In the second Sn site, Sn(2) is bonded to four equivalent S(2) atoms to form SnS4 tetrahedra that share corners with four equivalent Zn(1)S4 tetrahedra and corners with eight equivalent Cu(1)S4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Cu(1), one Cd(1), and one Sn(1) atom to form SCdCu2Sn tetrahedra that share corners with four equivalent S(2)ZnCu2Sn tetrahedra and corners with eight equivalent S(1)CdCu2Sn tetrahedra. In the second S site, S(2) is bonded to two equivalent Cu(1), one Zn(1), and one Sn(2) atom to form SZnCu2Sn tetrahedra that share corners with four equivalent S(1)CdCu2Sn tetrahedra and corners with eight equivalent S(2)ZnCu2Sn tetrahedra. is represented by the CIF card [CIF]
data_ZnCdCu4(SnS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.555
_cell_length_b   5.555
_cell_length_c   11.010
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   339.740
_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  0.500  0.500  0.500  1.0
  Cd  Cd1  1  0.000  0.000  0.000  1.0
  Cu  Cu2  1  0.500  0.000  0.253  1.0
  Cu  Cu3  1  0.000  0.500  0.747  1.0
  Cu  Cu4  1  0.000  0.500  0.253  1.0
  Cu  Cu5  1  0.500  0.000  0.747  1.0
  Sn  Sn6  1  0.500  0.500  0.000  1.0
  Sn  Sn7  1  0.000  0.000  0.500  1.0
  S  S8  1  0.744  0.744  0.142  1.0
  S  S9  1  0.256  0.256  0.632  1.0
  S  S10  1  0.256  0.256  0.142  1.0
  S  S11  1  0.744  0.744  0.632  1.0
  S  S12  1  0.744  0.256  0.368  1.0
  S  S13  1  0.256  0.744  0.858  1.0
  S  S14  1  0.256  0.744  0.368  1.0
  S  S15  1  0.744  0.256  0.858  1.0
[/CIF]
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The crystal structure described by Cu4CdZn(SnS4)2 is Clathrate-derived structured and crystallizes in the tetragonal P-42m space group. Cu(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form CuS4 tetrahedra that share corners with two equivalent Cd(1)S4 tetrahedra, corners with two equivalent Zn(1)S4 tetrahedra, corners with two equivalent Sn(1)S4 tetrahedra, corners with two equivalent Sn(2)S4 tetrahedra, and corners with four equivalent Cu(1)S4 tetrahedra. Cd(1) is bonded to four equivalent S(1) atoms to form CdS4 tetrahedra that share corners with four equivalent Sn(1)S4 tetrahedra and corners with eight equivalent Cu(1)S4 tetrahedra. Zn(1) is bonded to four equivalent S(2) atoms to form ZnS4 tetrahedra that share corners with four equivalent Sn(2)S4 tetrahedra and corners with eight equivalent Cu(1)S4 tetrahedra. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to four equivalent S(1) atoms to form SnS4 tetrahedra that share corners with four equivalent Cd(1)S4 tetrahedra and corners with eight equivalent Cu(1)S4 tetrahedra. In the second Sn site, Sn(2) is bonded to four equivalent S(2) atoms to form SnS4 tetrahedra that share corners with four equivalent Zn(1)S4 tetrahedra and corners with eight equivalent Cu(1)S4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Cu(1), one Cd(1), and one Sn(1) atom to form SCdCu2Sn tetrahedra that share corners with four equivalent S(2)ZnCu2Sn tetrahedra and corners with eight equivalent S(1)CdCu2Sn tetrahedra. In the second S site, S(2) is bonded to two equivalent Cu(1), one Zn(1), and one Sn(2) atom to form SZnCu2Sn tetrahedra that share corners with four equivalent S(1)CdCu2Sn tetrahedra and corners with eight equivalent S(2)ZnCu2Sn tetrahedra. is represented by the CIF card [CIF]
data_ZnCdCu4(SnS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.555
_cell_length_b   5.555
_cell_length_c   11.010
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   339.740
_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  0.500  0.500  0.500  1.0
  Cd  Cd1  1  0.000  0.000  0.000  1.0
  Cu  Cu2  1  0.500  0.000  0.253  1.0
  Cu  Cu3  1  0.000  0.500  0.747  1.0
  Cu  Cu4  1  0.000  0.500  0.253  1.0
  Cu  Cu5  1  0.500  0.000  0.747  1.0
  Sn  Sn6  1  0.500  0.500  0.000  1.0
  Sn  Sn7  1  0.000  0.000  0.500  1.0
  S  S8  1  0.744  0.744  0.142  1.0
  S  S9  1  0.256  0.256  0.632  1.0
  S  S10  1  0.256  0.256  0.142  1.0
  S  S11  1  0.744  0.744  0.632  1.0
  S  S12  1  0.744  0.256  0.368  1.0
  S  S13  1  0.256  0.744  0.858  1.0
  S  S14  1  0.256  0.744  0.368  1.0
  S  S15  1  0.744  0.256  0.858  1.0
[/CIF]
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