The material structure described by CdZn(GaS2)4 crystallizes in the tetragonal P-4 space group. Cd(1) is bonded to four equivalent S(2) atoms to form CdS4 tetrahedra that share corners with four equivalent Ga(1)S4 tetrahedra and corners with four equivalent Ga(3)S4 tetrahedra. Zn(1) is bonded to four equivalent S(1) atoms to form ZnS4 tetrahedra that share corners with four equivalent Ga(2)S4 tetrahedra and corners with four equivalent Ga(3)S4 tetrahedra. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent S(2) atoms to form GaS4 tetrahedra that share corners with four equivalent Cd(1)S4 tetrahedra and corners with four equivalent Ga(3)S4 tetrahedra. In the second Ga site, Ga(2) is bonded to four equivalent S(1) atoms to form GaS4 tetrahedra that share corners with four equivalent Zn(1)S4 tetrahedra and corners with four equivalent Ga(3)S4 tetrahedra. In the third Ga site, Ga(3) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form GaS4 tetrahedra that share corners with two equivalent Cd(1)S4 tetrahedra, corners with two equivalent Zn(1)S4 tetrahedra, corners with two equivalent Ga(1)S4 tetrahedra, and corners with two equivalent Ga(2)S4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to one Zn(1), one Ga(2), and one Ga(3) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one Cd(1), one Ga(1), and one Ga(3) atom. is represented by the CIF file [CIF]
data_ZnCd(GaS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.511
_cell_length_b   5.511
_cell_length_c   10.412
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   316.171
_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
  Ga  Ga2  1  0.500  0.500  0.000  1.0
  Ga  Ga3  1  0.000  0.000  0.500  1.0
  Ga  Ga4  1  0.000  0.500  0.254  1.0
  Ga  Ga5  1  0.500  0.000  0.746  1.0
  S  S6  1  0.244  0.755  0.373  1.0
  S  S7  1  0.733  0.269  0.862  1.0
  S  S8  1  0.756  0.245  0.373  1.0
  S  S9  1  0.267  0.731  0.862  1.0
  S  S10  1  0.731  0.733  0.138  1.0
  S  S11  1  0.245  0.244  0.627  1.0
  S  S12  1  0.269  0.267  0.138  1.0
  S  S13  1  0.755  0.756  0.627  1.0
[/CIF]
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The material structure described by CdZn(GaS2)4 crystallizes in the tetragonal P-4 space group. Cd(1) is bonded to four equivalent S(2) atoms to form CdS4 tetrahedra that share corners with four equivalent Ga(1)S4 tetrahedra and corners with four equivalent Ga(3)S4 tetrahedra. Zn(1) is bonded to four equivalent S(1) atoms to form ZnS4 tetrahedra that share corners with four equivalent Ga(2)S4 tetrahedra and corners with four equivalent Ga(3)S4 tetrahedra. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent S(2) atoms to form GaS4 tetrahedra that share corners with four equivalent Cd(1)S4 tetrahedra and corners with four equivalent Ga(3)S4 tetrahedra. In the second Ga site, Ga(2) is bonded to four equivalent S(1) atoms to form GaS4 tetrahedra that share corners with four equivalent Zn(1)S4 tetrahedra and corners with four equivalent Ga(3)S4 tetrahedra. In the third Ga site, Ga(3) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form GaS4 tetrahedra that share corners with two equivalent Cd(1)S4 tetrahedra, corners with two equivalent Zn(1)S4 tetrahedra, corners with two equivalent Ga(1)S4 tetrahedra, and corners with two equivalent Ga(2)S4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to one Zn(1), one Ga(2), and one Ga(3) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one Cd(1), one Ga(1), and one Ga(3) atom. is represented by the CIF file [CIF]
data_ZnCd(GaS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.511
_cell_length_b   5.511
_cell_length_c   10.412
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   316.171
_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
  Ga  Ga2  1  0.500  0.500  0.000  1.0
  Ga  Ga3  1  0.000  0.000  0.500  1.0
  Ga  Ga4  1  0.000  0.500  0.254  1.0
  Ga  Ga5  1  0.500  0.000  0.746  1.0
  S  S6  1  0.244  0.755  0.373  1.0
  S  S7  1  0.733  0.269  0.862  1.0
  S  S8  1  0.756  0.245  0.373  1.0
  S  S9  1  0.267  0.731  0.862  1.0
  S  S10  1  0.731  0.733  0.138  1.0
  S  S11  1  0.245  0.244  0.627  1.0
  S  S12  1  0.269  0.267  0.138  1.0
  S  S13  1  0.755  0.756  0.627  1.0
[/CIF]
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