The material structure described by FeCdS2 is Enargite-like structured and crystallizes in the trigonal R3m space group. Fe(1) is bonded to one S(2) and three equivalent S(1) atoms to form FeS4 tetrahedra that share corners with six equivalent Fe(1)S4 tetrahedra and corners with six equivalent Cd(1)S4 tetrahedra. Cd(1) is bonded to one S(1) and three equivalent S(2) atoms to form CdS4 tetrahedra that share corners with six equivalent Fe(1)S4 tetrahedra and corners with six equivalent Cd(1)S4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Fe(1) and one Cd(1) atom to form SCdFe3 tetrahedra that share corners with six equivalent S(2)Cd3Fe tetrahedra and corners with six equivalent S(1)CdFe3 tetrahedra. In the second S site, S(2) is bonded to one Fe(1) and three equivalent Cd(1) atoms to form SCd3Fe tetrahedra that share corners with six equivalent S(2)Cd3Fe tetrahedra and corners with six equivalent S(1)CdFe3 tetrahedra. is represented by the CIF card [CIF]
data_CdFeS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.972
_cell_length_b   6.972
_cell_length_c   6.972
_cell_angle_alpha   33.278
_cell_angle_beta   33.278
_cell_angle_gamma   33.278
_symmetry_Int_Tables_number   1
_cell_volume   90.852
_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  0.002  0.002  0.002  1.0
  Fe  Fe1  1  0.499  0.499  0.499  1.0
  S  S2  1  0.132  0.132  0.132  1.0
  S  S3  1  0.616  0.616  0.616  1.0
[/CIF]
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The material structure described by FeCdS2 is Enargite-like structured and crystallizes in the trigonal R3m space group. Fe(1) is bonded to one S(2) and three equivalent S(1) atoms to form FeS4 tetrahedra that share corners with six equivalent Fe(1)S4 tetrahedra and corners with six equivalent Cd(1)S4 tetrahedra. Cd(1) is bonded to one S(1) and three equivalent S(2) atoms to form CdS4 tetrahedra that share corners with six equivalent Fe(1)S4 tetrahedra and corners with six equivalent Cd(1)S4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Fe(1) and one Cd(1) atom to form SCdFe3 tetrahedra that share corners with six equivalent S(2)Cd3Fe tetrahedra and corners with six equivalent S(1)CdFe3 tetrahedra. In the second S site, S(2) is bonded to one Fe(1) and three equivalent Cd(1) atoms to form SCd3Fe tetrahedra that share corners with six equivalent S(2)Cd3Fe tetrahedra and corners with six equivalent S(1)CdFe3 tetrahedra. is represented by the CIF card [CIF]
data_CdFeS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.972
_cell_length_b   6.972
_cell_length_c   6.972
_cell_angle_alpha   33.278
_cell_angle_beta   33.278
_cell_angle_gamma   33.278
_symmetry_Int_Tables_number   1
_cell_volume   90.852
_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  0.002  0.002  0.002  1.0
  Fe  Fe1  1  0.499  0.499  0.499  1.0
  S  S2  1  0.132  0.132  0.132  1.0
  S  S3  1  0.616  0.616  0.616  1.0
[/CIF]
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