The compound described by Co4NiCuS8 is Spinel-derived structured and crystallizes in the cubic F-43m space group. Co(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form CoS6 octahedra that share corners with three equivalent Ni(1)S4 tetrahedra, corners with three equivalent Cu(1)S4 tetrahedra, and edges with six equivalent Co(1)S6 octahedra. Ni(1) is bonded to four equivalent S(2) atoms to form NiS4 tetrahedra that share corners with twelve equivalent Co(1)S6 octahedra. The corner-sharing octahedral tilt angles are 58°. Cu(1) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with twelve equivalent Co(1)S6 octahedra. The corner-sharing octahedral tilt angles are 59°. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Co(1) and one Cu(1) atom to form distorted SCo3Cu trigonal pyramids that share corners with three equivalent S(1)Co3Cu trigonal pyramids, corners with nine equivalent S(2)Co3Ni trigonal pyramids, and edges with three equivalent S(1)Co3Cu trigonal pyramids. In the second S site, S(2) is bonded to three equivalent Co(1) and one Ni(1) atom to form distorted SCo3Ni trigonal pyramids that share corners with three equivalent S(2)Co3Ni trigonal pyramids, corners with nine equivalent S(1)Co3Cu trigonal pyramids, and edges with three equivalent S(2)Co3Ni trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co4CuNiS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.644
_cell_length_b   6.644
_cell_length_c   6.644
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   207.361
_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
  Co  Co0  1  0.626  0.125  0.125  1.0
  Co  Co1  1  0.125  0.626  0.125  1.0
  Co  Co2  1  0.125  0.125  0.626  1.0
  Co  Co3  1  0.125  0.125  0.125  1.0
  Cu  Cu4  1  0.750  0.750  0.750  1.0
  Ni  Ni5  1  0.500  0.500  0.500  1.0
  S  S6  1  0.337  0.888  0.888  1.0
  S  S7  1  0.888  0.337  0.888  1.0
  S  S8  1  0.888  0.888  0.337  1.0
  S  S9  1  0.888  0.888  0.888  1.0
  S  S10  1  0.904  0.365  0.365  1.0
  S  S11  1  0.365  0.904  0.365  1.0
  S  S12  1  0.365  0.365  0.904  1.0
  S  S13  1  0.365  0.365  0.365  1.0
[/CIF]
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The compound described by Co4NiCuS8 is Spinel-derived structured and crystallizes in the cubic F-43m space group. Co(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form CoS6 octahedra that share corners with three equivalent Ni(1)S4 tetrahedra, corners with three equivalent Cu(1)S4 tetrahedra, and edges with six equivalent Co(1)S6 octahedra. Ni(1) is bonded to four equivalent S(2) atoms to form NiS4 tetrahedra that share corners with twelve equivalent Co(1)S6 octahedra. The corner-sharing octahedral tilt angles are 58°. Cu(1) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with twelve equivalent Co(1)S6 octahedra. The corner-sharing octahedral tilt angles are 59°. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Co(1) and one Cu(1) atom to form distorted SCo3Cu trigonal pyramids that share corners with three equivalent S(1)Co3Cu trigonal pyramids, corners with nine equivalent S(2)Co3Ni trigonal pyramids, and edges with three equivalent S(1)Co3Cu trigonal pyramids. In the second S site, S(2) is bonded to three equivalent Co(1) and one Ni(1) atom to form distorted SCo3Ni trigonal pyramids that share corners with three equivalent S(2)Co3Ni trigonal pyramids, corners with nine equivalent S(1)Co3Cu trigonal pyramids, and edges with three equivalent S(2)Co3Ni trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co4CuNiS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.644
_cell_length_b   6.644
_cell_length_c   6.644
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   207.361
_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
  Co  Co0  1  0.626  0.125  0.125  1.0
  Co  Co1  1  0.125  0.626  0.125  1.0
  Co  Co2  1  0.125  0.125  0.626  1.0
  Co  Co3  1  0.125  0.125  0.125  1.0
  Cu  Cu4  1  0.750  0.750  0.750  1.0
  Ni  Ni5  1  0.500  0.500  0.500  1.0
  S  S6  1  0.337  0.888  0.888  1.0
  S  S7  1  0.888  0.337  0.888  1.0
  S  S8  1  0.888  0.888  0.337  1.0
  S  S9  1  0.888  0.888  0.888  1.0
  S  S10  1  0.904  0.365  0.365  1.0
  S  S11  1  0.365  0.904  0.365  1.0
  S  S12  1  0.365  0.365  0.904  1.0
  S  S13  1  0.365  0.365  0.365  1.0
[/CIF]
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