The crystal structure described by CuCd2GaS4 is Stannite-like structured and crystallizes in the monoclinic Cm space group. Cu(1) is bonded to one S(1), one S(4), and two equivalent S(3) atoms to form CuS4 tetrahedra that share corners with two equivalent Cu(1)S4 tetrahedra, corners with three equivalent Cd(1)S4 tetrahedra, corners with three equivalent Cd(2)S4 tetrahedra, and corners with four equivalent Ga(1)S4 tetrahedra. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form CdS4 tetrahedra that share corners with two equivalent Cd(1)S4 tetrahedra, corners with three equivalent Cu(1)S4 tetrahedra, corners with three equivalent Ga(1)S4 tetrahedra, and corners with four equivalent Cd(2)S4 tetrahedra. In the second Cd site, Cd(2) is bonded to one S(2), one S(4), and two equivalent S(1) atoms to form CdS4 tetrahedra that share corners with two equivalent Cd(2)S4 tetrahedra, corners with three equivalent Cu(1)S4 tetrahedra, corners with three equivalent Ga(1)S4 tetrahedra, and corners with four equivalent Cd(1)S4 tetrahedra. Ga(1) is bonded to one S(2), one S(3), and two equivalent S(4) atoms to form GaS4 tetrahedra that share corners with two equivalent Ga(1)S4 tetrahedra, corners with three equivalent Cd(1)S4 tetrahedra, corners with three equivalent Cd(2)S4 tetrahedra, and corners with four equivalent Cu(1)S4 tetrahedra. There are four inequivalent S sites. In the first S site, S(1) is bonded to one Cu(1), one Cd(1), and two equivalent Cd(2) atoms to form SCd3Cu tetrahedra that share corners with two equivalent S(1)Cd3Cu tetrahedra, corners with three equivalent S(4)CdGa2Cu tetrahedra, corners with three equivalent S(3)CdGaCu2 tetrahedra, and corners with four equivalent S(2)Cd3Ga tetrahedra. In the second S site, S(2) is bonded to one Cd(2), two equivalent Cd(1), and one Ga(1) atom to form SCd3Ga tetrahedra that share corners with two equivalent S(2)Cd3Ga tetrahedra, corners with three equivalent S(4)CdGa2Cu tetrahedra, corners with three equivalent S(3)CdGaCu2 tetrahedra, and corners with four equivalent S(1)Cd3Cu tetrahedra. In the third S site, S(3) is bonded to two equivalent Cu(1), one Cd(1), and one Ga(1) atom to form SCdGaCu2 tetrahedra that share corners with two equivalent S(3)CdGaCu2 tetrahedra, corners with three equivalent S(1)Cd3Cu tetrahedra, corners with three equivalent S(2)Cd3Ga tetrahedra, and corners with four equivalent S(4)CdGa2Cu tetrahedra. In the fourth S site, S(4) is bonded to one Cu(1), one Cd(2), and two equivalent Ga(1) atoms to form SCdGa2Cu tetrahedra that share corners with two equivalent S(4)CdGa2Cu tetrahedra, corners with three equivalent S(1)Cd3Cu tetrahedra, corners with three equivalent S(2)Cd3Ga tetrahedra, and corners with four equivalent S(3)CdGaCu2 tetrahedra. is represented by the CIF card [CIF]
data_Cd2GaCuS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.666
_cell_length_b   7.666
_cell_length_c   6.896
_cell_angle_alpha   63.767
_cell_angle_beta   63.767
_cell_angle_gamma   30.085
_symmetry_Int_Tables_number   1
_cell_volume   180.631
_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
  Cd  Cd0  1  0.005  0.005  0.339  1.0
  Cd  Cd1  1  0.501  0.501  0.825  1.0
  Ga  Ga2  1  0.248  0.248  0.407  1.0
  Cu  Cu3  1  0.749  0.749  0.925  1.0
  S  S4  1  0.925  0.925  0.743  1.0
  S  S5  1  0.425  0.425  0.241  1.0
  S  S6  1  0.198  0.198  0.134  1.0
  S  S7  1  0.699  0.699  0.637  1.0
[/CIF]
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The crystal structure described by CuCd2GaS4 is Stannite-like structured and crystallizes in the monoclinic Cm space group. Cu(1) is bonded to one S(1), one S(4), and two equivalent S(3) atoms to form CuS4 tetrahedra that share corners with two equivalent Cu(1)S4 tetrahedra, corners with three equivalent Cd(1)S4 tetrahedra, corners with three equivalent Cd(2)S4 tetrahedra, and corners with four equivalent Ga(1)S4 tetrahedra. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form CdS4 tetrahedra that share corners with two equivalent Cd(1)S4 tetrahedra, corners with three equivalent Cu(1)S4 tetrahedra, corners with three equivalent Ga(1)S4 tetrahedra, and corners with four equivalent Cd(2)S4 tetrahedra. In the second Cd site, Cd(2) is bonded to one S(2), one S(4), and two equivalent S(1) atoms to form CdS4 tetrahedra that share corners with two equivalent Cd(2)S4 tetrahedra, corners with three equivalent Cu(1)S4 tetrahedra, corners with three equivalent Ga(1)S4 tetrahedra, and corners with four equivalent Cd(1)S4 tetrahedra. Ga(1) is bonded to one S(2), one S(3), and two equivalent S(4) atoms to form GaS4 tetrahedra that share corners with two equivalent Ga(1)S4 tetrahedra, corners with three equivalent Cd(1)S4 tetrahedra, corners with three equivalent Cd(2)S4 tetrahedra, and corners with four equivalent Cu(1)S4 tetrahedra. There are four inequivalent S sites. In the first S site, S(1) is bonded to one Cu(1), one Cd(1), and two equivalent Cd(2) atoms to form SCd3Cu tetrahedra that share corners with two equivalent S(1)Cd3Cu tetrahedra, corners with three equivalent S(4)CdGa2Cu tetrahedra, corners with three equivalent S(3)CdGaCu2 tetrahedra, and corners with four equivalent S(2)Cd3Ga tetrahedra. In the second S site, S(2) is bonded to one Cd(2), two equivalent Cd(1), and one Ga(1) atom to form SCd3Ga tetrahedra that share corners with two equivalent S(2)Cd3Ga tetrahedra, corners with three equivalent S(4)CdGa2Cu tetrahedra, corners with three equivalent S(3)CdGaCu2 tetrahedra, and corners with four equivalent S(1)Cd3Cu tetrahedra. In the third S site, S(3) is bonded to two equivalent Cu(1), one Cd(1), and one Ga(1) atom to form SCdGaCu2 tetrahedra that share corners with two equivalent S(3)CdGaCu2 tetrahedra, corners with three equivalent S(1)Cd3Cu tetrahedra, corners with three equivalent S(2)Cd3Ga tetrahedra, and corners with four equivalent S(4)CdGa2Cu tetrahedra. In the fourth S site, S(4) is bonded to one Cu(1), one Cd(2), and two equivalent Ga(1) atoms to form SCdGa2Cu tetrahedra that share corners with two equivalent S(4)CdGa2Cu tetrahedra, corners with three equivalent S(1)Cd3Cu tetrahedra, corners with three equivalent S(2)Cd3Ga tetrahedra, and corners with four equivalent S(3)CdGaCu2 tetrahedra. is represented by the CIF card [CIF]
data_Cd2GaCuS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.666
_cell_length_b   7.666
_cell_length_c   6.896
_cell_angle_alpha   63.767
_cell_angle_beta   63.767
_cell_angle_gamma   30.085
_symmetry_Int_Tables_number   1
_cell_volume   180.631
_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
  Cd  Cd0  1  0.005  0.005  0.339  1.0
  Cd  Cd1  1  0.501  0.501  0.825  1.0
  Ga  Ga2  1  0.248  0.248  0.407  1.0
  Cu  Cu3  1  0.749  0.749  0.925  1.0
  S  S4  1  0.925  0.925  0.743  1.0
  S  S5  1  0.425  0.425  0.241  1.0
  S  S6  1  0.198  0.198  0.134  1.0
  S  S7  1  0.699  0.699  0.637  1.0
[/CIF]
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