The crystal structure described by MnZn(CrS2)4 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 Zn(1)S4 tetrahedra, and edges with six equivalent Cr(1)S6 octahedra. Mn(1) is bonded to four equivalent S(1) atoms to form MnS4 tetrahedra that share corners with twelve equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles are 58°. Zn(1) is bonded to four equivalent S(2) atoms to form ZnS4 tetrahedra that share corners with twelve equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles are 58°. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Cr(1) and one Mn(1) atom to form distorted SMnCr3 trigonal pyramids that share corners with three equivalent S(1)MnCr3 trigonal pyramids, corners with nine equivalent S(2)ZnCr3 trigonal pyramids, and edges with three equivalent S(1)MnCr3 trigonal pyramids. In the second S site, S(2) is bonded to three equivalent Cr(1) and one Zn(1) atom to form distorted SZnCr3 trigonal pyramids that share corners with three equivalent S(2)ZnCr3 trigonal pyramids, corners with nine equivalent S(1)MnCr3 trigonal pyramids, and edges with three equivalent S(2)ZnCr3 trigonal pyramids. is represented by the CIF file [CIF]
data_MnZn(CrS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.135
_cell_length_b   7.135
_cell_length_c   7.135
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   256.830
_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  0.750  0.750  0.750  1.0
  Zn  Zn1  1  0.500  0.500  0.500  1.0
  Cr  Cr2  1  0.624  0.125  0.125  1.0
  Cr  Cr3  1  0.125  0.624  0.125  1.0
  Cr  Cr4  1  0.125  0.125  0.624  1.0
  Cr  Cr5  1  0.125  0.125  0.125  1.0
  S  S6  1  0.343  0.886  0.886  1.0
  S  S7  1  0.886  0.343  0.886  1.0
  S  S8  1  0.886  0.886  0.343  1.0
  S  S9  1  0.886  0.886  0.886  1.0
  S  S10  1  0.906  0.365  0.365  1.0
  S  S11  1  0.365  0.906  0.365  1.0
  S  S12  1  0.365  0.365  0.906  1.0
  S  S13  1  0.365  0.365  0.365  1.0
[/CIF]
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The crystal structure described by MnZn(CrS2)4 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 Zn(1)S4 tetrahedra, and edges with six equivalent Cr(1)S6 octahedra. Mn(1) is bonded to four equivalent S(1) atoms to form MnS4 tetrahedra that share corners with twelve equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles are 58°. Zn(1) is bonded to four equivalent S(2) atoms to form ZnS4 tetrahedra that share corners with twelve equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles are 58°. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Cr(1) and one Mn(1) atom to form distorted SMnCr3 trigonal pyramids that share corners with three equivalent S(1)MnCr3 trigonal pyramids, corners with nine equivalent S(2)ZnCr3 trigonal pyramids, and edges with three equivalent S(1)MnCr3 trigonal pyramids. In the second S site, S(2) is bonded to three equivalent Cr(1) and one Zn(1) atom to form distorted SZnCr3 trigonal pyramids that share corners with three equivalent S(2)ZnCr3 trigonal pyramids, corners with nine equivalent S(1)MnCr3 trigonal pyramids, and edges with three equivalent S(2)ZnCr3 trigonal pyramids. is represented by the CIF file [CIF]
data_MnZn(CrS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.135
_cell_length_b   7.135
_cell_length_c   7.135
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   256.830
_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  0.750  0.750  0.750  1.0
  Zn  Zn1  1  0.500  0.500  0.500  1.0
  Cr  Cr2  1  0.624  0.125  0.125  1.0
  Cr  Cr3  1  0.125  0.624  0.125  1.0
  Cr  Cr4  1  0.125  0.125  0.624  1.0
  Cr  Cr5  1  0.125  0.125  0.125  1.0
  S  S6  1  0.343  0.886  0.886  1.0
  S  S7  1  0.886  0.343  0.886  1.0
  S  S8  1  0.886  0.886  0.343  1.0
  S  S9  1  0.886  0.886  0.886  1.0
  S  S10  1  0.906  0.365  0.365  1.0
  S  S11  1  0.365  0.906  0.365  1.0
  S  S12  1  0.365  0.365  0.906  1.0
  S  S13  1  0.365  0.365  0.365  1.0
[/CIF]
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