The structure described by FeCd3S4 is Enargite-like structured and crystallizes in the tetragonal P-4m2 space group. Fe(1) is bonded to four equivalent S(2) atoms to form FeS4 tetrahedra that share corners with four equivalent Fe(1)S4 tetrahedra and corners with eight equivalent Cd(1)S4 tetrahedra. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form CdS4 tetrahedra that share corners with four equivalent Fe(1)S4 tetrahedra, corners with four equivalent Cd(1)S4 tetrahedra, and corners with four equivalent Cd(2)S4 tetrahedra. In the second Cd site, Cd(2) is bonded to four equivalent S(1) atoms to form corner-sharing CdS4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Cd(1) and two equivalent Cd(2) atoms to form SCd4 tetrahedra that share corners with four equivalent S(2)Cd2Fe2 tetrahedra and corners with eight equivalent S(1)Cd4 tetrahedra. In the second S site, S(2) is bonded to two equivalent Fe(1) and two equivalent Cd(1) atoms to form SCd2Fe2 tetrahedra that share corners with four equivalent S(1)Cd4 tetrahedra and corners with eight equivalent S(2)Cd2Fe2 tetrahedra. is represented by the CIF card [CIF]
data_Cd3FeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.097
_cell_length_b   4.097
_cell_length_c   11.642
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   195.381
_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  0.000  0.000  0.765  1.0
  Cd  Cd1  1  0.500  0.500  0.500  1.0
  Cd  Cd2  1  0.000  0.000  0.235  1.0
  Fe  Fe3  1  0.500  0.500  0.000  1.0
  S  S4  1  0.000  0.500  0.367  1.0
  S  S5  1  0.500  0.000  0.101  1.0
  S  S6  1  0.000  0.500  0.899  1.0
  S  S7  1  0.500  0.000  0.633  1.0
[/CIF]
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The structure described by FeCd3S4 is Enargite-like structured and crystallizes in the tetragonal P-4m2 space group. Fe(1) is bonded to four equivalent S(2) atoms to form FeS4 tetrahedra that share corners with four equivalent Fe(1)S4 tetrahedra and corners with eight equivalent Cd(1)S4 tetrahedra. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form CdS4 tetrahedra that share corners with four equivalent Fe(1)S4 tetrahedra, corners with four equivalent Cd(1)S4 tetrahedra, and corners with four equivalent Cd(2)S4 tetrahedra. In the second Cd site, Cd(2) is bonded to four equivalent S(1) atoms to form corner-sharing CdS4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Cd(1) and two equivalent Cd(2) atoms to form SCd4 tetrahedra that share corners with four equivalent S(2)Cd2Fe2 tetrahedra and corners with eight equivalent S(1)Cd4 tetrahedra. In the second S site, S(2) is bonded to two equivalent Fe(1) and two equivalent Cd(1) atoms to form SCd2Fe2 tetrahedra that share corners with four equivalent S(1)Cd4 tetrahedra and corners with eight equivalent S(2)Cd2Fe2 tetrahedra. is represented by the CIF card [CIF]
data_Cd3FeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.097
_cell_length_b   4.097
_cell_length_c   11.642
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   195.381
_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  0.000  0.000  0.765  1.0
  Cd  Cd1  1  0.500  0.500  0.500  1.0
  Cd  Cd2  1  0.000  0.000  0.235  1.0
  Fe  Fe3  1  0.500  0.500  0.000  1.0
  S  S4  1  0.000  0.500  0.367  1.0
  S  S5  1  0.500  0.000  0.101  1.0
  S  S6  1  0.000  0.500  0.899  1.0
  S  S7  1  0.500  0.000  0.633  1.0
[/CIF]
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