The material structure described by Cr4CoCuS8 is Spinel-derived structured and crystallizes in the cubic F-43m space group. Cr(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form CrS6 octahedra that share corners with three equivalent Co(1)S4 tetrahedra, corners with three equivalent Cu(1)S4 tetrahedra, and edges with six equivalent Cr(1)S6 octahedra. Co(1) is bonded to four equivalent S(1) atoms to form CoS4 tetrahedra that share corners with twelve equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles are 57°. Cu(1) is bonded to four equivalent S(2) atoms to form CuS4 tetrahedra that share corners with twelve equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cr(1) and one Co(1) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cr(1) and one Cu(1) atom. is represented by the CIF card [CIF]
data_Cr4CoCuS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.940
_cell_length_b   6.940
_cell_length_c   6.940
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   236.377
_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
  Cr  Cr0  1  0.622  0.126  0.126  1.0
  Cr  Cr1  1  0.126  0.622  0.126  1.0
  Cr  Cr2  1  0.126  0.126  0.622  1.0
  Cr  Cr3  1  0.126  0.126  0.126  1.0
  Co  Co4  1  0.750  0.750  0.750  1.0
  Cu  Cu5  1  0.500  0.500  0.500  1.0
  S  S6  1  0.359  0.880  0.880  1.0
  S  S7  1  0.880  0.359  0.880  1.0
  S  S8  1  0.880  0.880  0.359  1.0
  S  S9  1  0.880  0.880  0.880  1.0
  S  S10  1  0.898  0.367  0.367  1.0
  S  S11  1  0.367  0.898  0.367  1.0
  S  S12  1  0.367  0.367  0.898  1.0
  S  S13  1  0.367  0.367  0.367  1.0
[/CIF]
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The material structure described by Cr4CoCuS8 is Spinel-derived structured and crystallizes in the cubic F-43m space group. Cr(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form CrS6 octahedra that share corners with three equivalent Co(1)S4 tetrahedra, corners with three equivalent Cu(1)S4 tetrahedra, and edges with six equivalent Cr(1)S6 octahedra. Co(1) is bonded to four equivalent S(1) atoms to form CoS4 tetrahedra that share corners with twelve equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles are 57°. Cu(1) is bonded to four equivalent S(2) atoms to form CuS4 tetrahedra that share corners with twelve equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cr(1) and one Co(1) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cr(1) and one Cu(1) atom. is represented by the CIF card [CIF]
data_Cr4CoCuS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.940
_cell_length_b   6.940
_cell_length_c   6.940
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   236.377
_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
  Cr  Cr0  1  0.622  0.126  0.126  1.0
  Cr  Cr1  1  0.126  0.622  0.126  1.0
  Cr  Cr2  1  0.126  0.126  0.622  1.0
  Cr  Cr3  1  0.126  0.126  0.126  1.0
  Co  Co4  1  0.750  0.750  0.750  1.0
  Cu  Cu5  1  0.500  0.500  0.500  1.0
  S  S6  1  0.359  0.880  0.880  1.0
  S  S7  1  0.880  0.359  0.880  1.0
  S  S8  1  0.880  0.880  0.359  1.0
  S  S9  1  0.880  0.880  0.880  1.0
  S  S10  1  0.898  0.367  0.367  1.0
  S  S11  1  0.367  0.898  0.367  1.0
  S  S12  1  0.367  0.367  0.898  1.0
  S  S13  1  0.367  0.367  0.367  1.0
[/CIF]
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