The crystal structure described by FeCo(NiS2)4 is Spinel-derived structured and crystallizes in the cubic F-43m space group. Fe(1) is bonded to four equivalent S(2) atoms to form FeS4 tetrahedra that share corners with twelve equivalent Ni(1)S6 octahedra. The corner-sharing octahedral tilt angles are 56°. Co(1) is bonded to four equivalent S(1) atoms to form CoS4 tetrahedra that share corners with twelve equivalent Ni(1)S6 octahedra. The corner-sharing octahedral tilt angles are 57°. Ni(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form NiS6 octahedra that share corners with three equivalent Fe(1)S4 tetrahedra, corners with three equivalent Co(1)S4 tetrahedra, and edges with six equivalent Ni(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to one Co(1) and three equivalent Ni(1) atoms. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Fe(1) and three equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeCo(NiS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.630
_cell_length_b   6.630
_cell_length_c   6.630
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   206.076
_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  0.500  0.500  0.500  1.0
  Co  Co1  1  0.750  0.750  0.750  1.0
  Ni  Ni2  1  0.625  0.125  0.125  1.0
  Ni  Ni3  1  0.125  0.625  0.125  1.0
  Ni  Ni4  1  0.125  0.125  0.625  1.0
  Ni  Ni5  1  0.125  0.125  0.125  1.0
  S  S6  1  0.357  0.881  0.881  1.0
  S  S7  1  0.881  0.357  0.881  1.0
  S  S8  1  0.881  0.881  0.357  1.0
  S  S9  1  0.881  0.881  0.881  1.0
  S  S10  1  0.890  0.370  0.370  1.0
  S  S11  1  0.370  0.890  0.370  1.0
  S  S12  1  0.370  0.370  0.890  1.0
  S  S13  1  0.370  0.370  0.370  1.0
[/CIF]
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The crystal structure described by FeCo(NiS2)4 is Spinel-derived structured and crystallizes in the cubic F-43m space group. Fe(1) is bonded to four equivalent S(2) atoms to form FeS4 tetrahedra that share corners with twelve equivalent Ni(1)S6 octahedra. The corner-sharing octahedral tilt angles are 56°. Co(1) is bonded to four equivalent S(1) atoms to form CoS4 tetrahedra that share corners with twelve equivalent Ni(1)S6 octahedra. The corner-sharing octahedral tilt angles are 57°. Ni(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form NiS6 octahedra that share corners with three equivalent Fe(1)S4 tetrahedra, corners with three equivalent Co(1)S4 tetrahedra, and edges with six equivalent Ni(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to one Co(1) and three equivalent Ni(1) atoms. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Fe(1) and three equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeCo(NiS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.630
_cell_length_b   6.630
_cell_length_c   6.630
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   206.076
_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  0.500  0.500  0.500  1.0
  Co  Co1  1  0.750  0.750  0.750  1.0
  Ni  Ni2  1  0.625  0.125  0.125  1.0
  Ni  Ni3  1  0.125  0.625  0.125  1.0
  Ni  Ni4  1  0.125  0.125  0.625  1.0
  Ni  Ni5  1  0.125  0.125  0.125  1.0
  S  S6  1  0.357  0.881  0.881  1.0
  S  S7  1  0.881  0.357  0.881  1.0
  S  S8  1  0.881  0.881  0.357  1.0
  S  S9  1  0.881  0.881  0.881  1.0
  S  S10  1  0.890  0.370  0.370  1.0
  S  S11  1  0.370  0.890  0.370  1.0
  S  S12  1  0.370  0.370  0.890  1.0
  S  S13  1  0.370  0.370  0.370  1.0
[/CIF]
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