The compound described by Cr4MnCdS8 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 Mn(1)S4 tetrahedra, corners with three equivalent Cd(1)S4 tetrahedra, and edges with six equivalent Cr(1)S6 octahedra. Mn(1) is bonded to four equivalent S(2) atoms to form MnS4 tetrahedra that share corners with twelve equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles are 59°. Cd(1) is bonded to four equivalent S(1) atoms to form CdS4 tetrahedra that share corners with twelve equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles are 60°. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Cr(1) and one Cd(1) atom to form distorted SCr3Cd tetrahedra that share corners with three equivalent S(1)Cr3Cd tetrahedra, corners with nine equivalent S(2)MnCr3 trigonal pyramids, and edges with three equivalent S(1)Cr3Cd tetrahedra. In the second S site, S(2) is bonded to three equivalent Cr(1) and one Mn(1) atom to form distorted SMnCr3 trigonal pyramids that share corners with nine equivalent S(1)Cr3Cd tetrahedra, corners with three equivalent S(2)MnCr3 trigonal pyramids, and edges with three equivalent S(2)MnCr3 trigonal pyramids. is represented by the CIF file [CIF]
data_MnCr4CdS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.243
_cell_length_b   7.243
_cell_length_c   7.243
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   268.643
_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
  Mn  Mn0  1  0.500  0.500  0.500  1.0
  Cr  Cr1  1  0.626  0.125  0.125  1.0
  Cr  Cr2  1  0.125  0.626  0.125  1.0
  Cr  Cr3  1  0.125  0.125  0.626  1.0
  Cr  Cr4  1  0.125  0.125  0.125  1.0
  Cd  Cd5  1  0.750  0.750  0.750  1.0
  S  S6  1  0.327  0.891  0.891  1.0
  S  S7  1  0.891  0.327  0.891  1.0
  S  S8  1  0.891  0.891  0.327  1.0
  S  S9  1  0.891  0.891  0.891  1.0
  S  S10  1  0.908  0.364  0.364  1.0
  S  S11  1  0.364  0.908  0.364  1.0
  S  S12  1  0.364  0.364  0.908  1.0
  S  S13  1  0.364  0.364  0.364  1.0
[/CIF]
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The compound described by Cr4MnCdS8 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 Mn(1)S4 tetrahedra, corners with three equivalent Cd(1)S4 tetrahedra, and edges with six equivalent Cr(1)S6 octahedra. Mn(1) is bonded to four equivalent S(2) atoms to form MnS4 tetrahedra that share corners with twelve equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles are 59°. Cd(1) is bonded to four equivalent S(1) atoms to form CdS4 tetrahedra that share corners with twelve equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles are 60°. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Cr(1) and one Cd(1) atom to form distorted SCr3Cd tetrahedra that share corners with three equivalent S(1)Cr3Cd tetrahedra, corners with nine equivalent S(2)MnCr3 trigonal pyramids, and edges with three equivalent S(1)Cr3Cd tetrahedra. In the second S site, S(2) is bonded to three equivalent Cr(1) and one Mn(1) atom to form distorted SMnCr3 trigonal pyramids that share corners with nine equivalent S(1)Cr3Cd tetrahedra, corners with three equivalent S(2)MnCr3 trigonal pyramids, and edges with three equivalent S(2)MnCr3 trigonal pyramids. is represented by the CIF file [CIF]
data_MnCr4CdS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.243
_cell_length_b   7.243
_cell_length_c   7.243
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   268.643
_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
  Mn  Mn0  1  0.500  0.500  0.500  1.0
  Cr  Cr1  1  0.626  0.125  0.125  1.0
  Cr  Cr2  1  0.125  0.626  0.125  1.0
  Cr  Cr3  1  0.125  0.125  0.626  1.0
  Cr  Cr4  1  0.125  0.125  0.125  1.0
  Cd  Cd5  1  0.750  0.750  0.750  1.0
  S  S6  1  0.327  0.891  0.891  1.0
  S  S7  1  0.891  0.327  0.891  1.0
  S  S8  1  0.891  0.891  0.327  1.0
  S  S9  1  0.891  0.891  0.891  1.0
  S  S10  1  0.908  0.364  0.364  1.0
  S  S11  1  0.364  0.908  0.364  1.0
  S  S12  1  0.364  0.364  0.908  1.0
  S  S13  1  0.364  0.364  0.364  1.0
[/CIF]
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