The compound described by MnCr2S4 crystallizes in the monoclinic C2/m 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 six equivalent Mn(1)S6 octahedra, edges with six equivalent Cr(1)S6 octahedra, and  a faceface with one Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. Mn(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form MnS6 octahedra that share corners with twelve equivalent Cr(1)S6 octahedra, edges with two equivalent Mn(1)S6 octahedra, and faces with two equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. There are two inequivalent S sites. In the first S site, S(2) is bonded in a rectangular see-saw-like geometry to three equivalent Cr(1) and one Mn(1) atom. In the second S site, S(1) is bonded to three equivalent Cr(1) and two equivalent Mn(1) atoms to form a mixture of distorted edge and corner-sharing SMn2Cr3 trigonal bipyramids. is represented by the CIF file [CIF]
data_Mn(CrS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.855
_cell_length_b   6.855
_cell_length_c   6.069
_cell_angle_alpha   63.674
_cell_angle_beta   63.674
_cell_angle_gamma   29.721
_symmetry_Int_Tables_number   1
_cell_volume   125.648
_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  0.000  0.000  0.000  1.0
  Cr  Cr1  1  0.260  0.260  0.730  1.0
  Cr  Cr2  1  0.741  0.741  0.270  1.0
  S  S3  1  0.361  0.361  0.979  1.0
  S  S4  1  0.639  0.639  0.021  1.0
  S  S5  1  0.134  0.134  0.541  1.0
  S  S6  1  0.866  0.866  0.459  1.0
[/CIF]
.
The compound described by MnCr2S4 crystallizes in the monoclinic C2/m 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 six equivalent Mn(1)S6 octahedra, edges with six equivalent Cr(1)S6 octahedra, and  a faceface with one Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. Mn(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form MnS6 octahedra that share corners with twelve equivalent Cr(1)S6 octahedra, edges with two equivalent Mn(1)S6 octahedra, and faces with two equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. There are two inequivalent S sites. In the first S site, S(2) is bonded in a rectangular see-saw-like geometry to three equivalent Cr(1) and one Mn(1) atom. In the second S site, S(1) is bonded to three equivalent Cr(1) and two equivalent Mn(1) atoms to form a mixture of distorted edge and corner-sharing SMn2Cr3 trigonal bipyramids. is represented by the CIF file [CIF]
data_Mn(CrS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.855
_cell_length_b   6.855
_cell_length_c   6.069
_cell_angle_alpha   63.674
_cell_angle_beta   63.674
_cell_angle_gamma   29.721
_symmetry_Int_Tables_number   1
_cell_volume   125.648
_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  0.000  0.000  0.000  1.0
  Cr  Cr1  1  0.260  0.260  0.730  1.0
  Cr  Cr2  1  0.741  0.741  0.270  1.0
  S  S3  1  0.361  0.361  0.979  1.0
  S  S4  1  0.639  0.639  0.021  1.0
  S  S5  1  0.134  0.134  0.541  1.0
  S  S6  1  0.866  0.866  0.459  1.0
[/CIF]
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