The material described by Cu2CdSiS4 is Stannite-like structured and crystallizes in the orthorhombic Pmn2_1 space group. Cu(1) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form CuS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra, corners with four equivalent Cd(1)S4 tetrahedra, and corners with four equivalent Si(1)S4 tetrahedra. Cd(1) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form CdS4 tetrahedra that share corners with four equivalent Si(1)S4 tetrahedra and corners with eight equivalent Cu(1)S4 tetrahedra. Si(1) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form SiS4 tetrahedra that share corners with four equivalent Cd(1)S4 tetrahedra and corners with eight equivalent Cu(1)S4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Cu(1), one Cd(1), and one Si(1) atom to form corner-sharing SCdCu2Si tetrahedra. In the second S site, S(2) is bonded to two equivalent Cu(1), one Cd(1), and one Si(1) atom to form corner-sharing SCdCu2Si tetrahedra. In the third S site, S(3) is bonded to two equivalent Cu(1), one Cd(1), and one Si(1) atom to form corner-sharing SCdCu2Si tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CdCu2SiS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.284
_cell_length_b   6.495
_cell_length_c   7.661
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   312.707
_cell_formula_units_Z   2
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  0.127  0.651  0.000  1.0
  Cd  Cd1  1  0.627  0.349  0.500  1.0
  Cu  Cu2  1  0.130  0.176  0.748  1.0
  Cu  Cu3  1  0.630  0.824  0.752  1.0
  Cu  Cu4  1  0.130  0.176  0.252  1.0
  Cu  Cu5  1  0.630  0.824  0.248  1.0
  Si  Si6  1  0.123  0.681  0.500  1.0
  Si  Si7  1  0.623  0.319  0.000  1.0
  S  S8  1  0.035  0.359  0.500  1.0
  S  S9  1  0.465  0.710  0.500  1.0
  S  S10  1  0.965  0.290  0.000  1.0
  S  S11  1  0.495  0.159  0.224  1.0
  S  S12  1  0.495  0.159  0.776  1.0
  S  S13  1  0.995  0.841  0.724  1.0
  S  S14  1  0.535  0.641  0.000  1.0
  S  S15  1  0.995  0.841  0.276  1.0
[/CIF]
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The material described by Cu2CdSiS4 is Stannite-like structured and crystallizes in the orthorhombic Pmn2_1 space group. Cu(1) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form CuS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra, corners with four equivalent Cd(1)S4 tetrahedra, and corners with four equivalent Si(1)S4 tetrahedra. Cd(1) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form CdS4 tetrahedra that share corners with four equivalent Si(1)S4 tetrahedra and corners with eight equivalent Cu(1)S4 tetrahedra. Si(1) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form SiS4 tetrahedra that share corners with four equivalent Cd(1)S4 tetrahedra and corners with eight equivalent Cu(1)S4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Cu(1), one Cd(1), and one Si(1) atom to form corner-sharing SCdCu2Si tetrahedra. In the second S site, S(2) is bonded to two equivalent Cu(1), one Cd(1), and one Si(1) atom to form corner-sharing SCdCu2Si tetrahedra. In the third S site, S(3) is bonded to two equivalent Cu(1), one Cd(1), and one Si(1) atom to form corner-sharing SCdCu2Si tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CdCu2SiS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.284
_cell_length_b   6.495
_cell_length_c   7.661
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   312.707
_cell_formula_units_Z   2
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  0.127  0.651  0.000  1.0
  Cd  Cd1  1  0.627  0.349  0.500  1.0
  Cu  Cu2  1  0.130  0.176  0.748  1.0
  Cu  Cu3  1  0.630  0.824  0.752  1.0
  Cu  Cu4  1  0.130  0.176  0.252  1.0
  Cu  Cu5  1  0.630  0.824  0.248  1.0
  Si  Si6  1  0.123  0.681  0.500  1.0
  Si  Si7  1  0.623  0.319  0.000  1.0
  S  S8  1  0.035  0.359  0.500  1.0
  S  S9  1  0.465  0.710  0.500  1.0
  S  S10  1  0.965  0.290  0.000  1.0
  S  S11  1  0.495  0.159  0.224  1.0
  S  S12  1  0.495  0.159  0.776  1.0
  S  S13  1  0.995  0.841  0.724  1.0
  S  S14  1  0.535  0.641  0.000  1.0
  S  S15  1  0.995  0.841  0.276  1.0
[/CIF]
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