The material structure described by Fe4PdNi4S8 crystallizes in the cubic F-43m space group. Fe(1) is bonded to one S(2) and three equivalent S(1) atoms to form FeS4 tetrahedra that share corners with three equivalent Pd(1)S6 octahedra, corners with six equivalent Fe(1)S4 tetrahedra, and edges with three equivalent Ni(1)S4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. Pd(1) is bonded to six equivalent S(1) atoms to form PdS6 octahedra that share corners with twelve equivalent Fe(1)S4 tetrahedra and corners with twelve equivalent Ni(1)S4 tetrahedra. Ni(1) is bonded to one S(3) and three equivalent S(1) atoms to form distorted NiS4 tetrahedra that share corners with three equivalent Pd(1)S6 octahedra, corners with six equivalent Ni(1)S4 tetrahedra, and edges with three equivalent Fe(1)S4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent Fe(1), one Pd(1), and two equivalent Ni(1) atoms. In the second S site, S(2) is bonded in a tetrahedral geometry to four equivalent Fe(1) atoms. In the third S site, S(3) is bonded in a tetrahedral geometry to four equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_Fe4Ni4PdS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.121
_cell_length_b   7.121
_cell_length_c   7.121
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   255.386
_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
  Fe  Fe0  1  0.874  0.874  0.377  1.0
  Fe  Fe1  1  0.874  0.377  0.874  1.0
  Fe  Fe2  1  0.377  0.874  0.874  1.0
  Fe  Fe3  1  0.874  0.874  0.874  1.0
  Ni  Ni4  1  0.127  0.127  0.618  1.0
  Ni  Ni5  1  0.127  0.618  0.127  1.0
  Ni  Ni6  1  0.618  0.127  0.127  1.0
  Ni  Ni7  1  0.127  0.127  0.127  1.0
  Pd  Pd8  1  0.500  0.500  0.500  1.0
  S  S9  1  0.749  0.749  0.251  1.0
  S  S10  1  0.251  0.749  0.251  1.0
  S  S11  1  0.749  0.251  0.251  1.0
  S  S12  1  0.251  0.251  0.749  1.0
  S  S13  1  0.749  0.251  0.749  1.0
  S  S14  1  0.251  0.749  0.749  1.0
  S  S15  1  0.750  0.750  0.750  1.0
  S  S16  1  0.250  0.250  0.250  1.0
[/CIF]
.
The material structure described by Fe4PdNi4S8 crystallizes in the cubic F-43m space group. Fe(1) is bonded to one S(2) and three equivalent S(1) atoms to form FeS4 tetrahedra that share corners with three equivalent Pd(1)S6 octahedra, corners with six equivalent Fe(1)S4 tetrahedra, and edges with three equivalent Ni(1)S4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. Pd(1) is bonded to six equivalent S(1) atoms to form PdS6 octahedra that share corners with twelve equivalent Fe(1)S4 tetrahedra and corners with twelve equivalent Ni(1)S4 tetrahedra. Ni(1) is bonded to one S(3) and three equivalent S(1) atoms to form distorted NiS4 tetrahedra that share corners with three equivalent Pd(1)S6 octahedra, corners with six equivalent Ni(1)S4 tetrahedra, and edges with three equivalent Fe(1)S4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent Fe(1), one Pd(1), and two equivalent Ni(1) atoms. In the second S site, S(2) is bonded in a tetrahedral geometry to four equivalent Fe(1) atoms. In the third S site, S(3) is bonded in a tetrahedral geometry to four equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_Fe4Ni4PdS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.121
_cell_length_b   7.121
_cell_length_c   7.121
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   255.386
_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
  Fe  Fe0  1  0.874  0.874  0.377  1.0
  Fe  Fe1  1  0.874  0.377  0.874  1.0
  Fe  Fe2  1  0.377  0.874  0.874  1.0
  Fe  Fe3  1  0.874  0.874  0.874  1.0
  Ni  Ni4  1  0.127  0.127  0.618  1.0
  Ni  Ni5  1  0.127  0.618  0.127  1.0
  Ni  Ni6  1  0.618  0.127  0.127  1.0
  Ni  Ni7  1  0.127  0.127  0.127  1.0
  Pd  Pd8  1  0.500  0.500  0.500  1.0
  S  S9  1  0.749  0.749  0.251  1.0
  S  S10  1  0.251  0.749  0.251  1.0
  S  S11  1  0.749  0.251  0.251  1.0
  S  S12  1  0.251  0.251  0.749  1.0
  S  S13  1  0.749  0.251  0.749  1.0
  S  S14  1  0.251  0.749  0.749  1.0
  S  S15  1  0.750  0.750  0.750  1.0
  S  S16  1  0.250  0.250  0.250  1.0
[/CIF]
.