The crystal structure described by MgCrMnS4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Mg(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form MgS4 tetrahedra that share corners with six equivalent Cr(1)S6 octahedra and corners with six equivalent Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. Cr(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form CrS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with four equivalent Mn(1)S6 octahedra. Mn(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form MnS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Mn(1)S6 octahedra, and edges with four equivalent Cr(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), two equivalent Cr(1), and one Mn(1) atom to form distorted SMgMnCr2 trigonal pyramids that share corners with six equivalent S(2)MgMn2Cr trigonal pyramids, corners with six equivalent S(1)MgMnCr2 trigonal pyramids,  an edgeedge with one S(1)MgMnCr2 trigonal pyramid, and edges with two equivalent S(2)MgMn2Cr trigonal pyramids. In the second S site, S(2) is bonded to one Mg(1), one Cr(1), and two equivalent Mn(1) atoms to form distorted SMgMn2Cr trigonal pyramids that share corners with six equivalent S(2)MgMn2Cr trigonal pyramids, corners with six equivalent S(1)MgMnCr2 trigonal pyramids,  an edgeedge with one S(2)MgMn2Cr trigonal pyramid, and edges with two equivalent S(1)MgMnCr2 trigonal pyramids. is represented by the CIF card [CIF]
data_MgMnCrS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.252
_cell_length_b   7.253
_cell_length_c   7.253
_cell_angle_alpha   60.052
_cell_angle_beta   60.032
_cell_angle_gamma   60.033
_symmetry_Int_Tables_number   1
_cell_volume   270.004
_cell_formula_units_Z   2
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
  Mg  Mg0  1  0.874  0.876  0.876  1.0
  Mg  Mg1  1  0.126  0.124  0.124  1.0
  Mn  Mn2  1  0.500  0.500  0.500  1.0
  Mn  Mn3  1  0.000  0.500  0.500  1.0
  Cr  Cr4  1  0.500  0.500  0.000  1.0
  Cr  Cr5  1  0.500  1.000  0.500  1.0
  S  S6  1  0.732  0.740  0.740  1.0
  S  S7  1  0.265  0.258  0.713  1.0
  S  S8  1  0.265  0.713  0.258  1.0
  S  S9  1  0.712  0.260  0.260  1.0
  S  S10  1  0.735  0.287  0.742  1.0
  S  S11  1  0.288  0.740  0.740  1.0
  S  S12  1  0.268  0.260  0.260  1.0
  S  S13  1  0.735  0.742  0.287  1.0
[/CIF]
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The crystal structure described by MgCrMnS4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Mg(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form MgS4 tetrahedra that share corners with six equivalent Cr(1)S6 octahedra and corners with six equivalent Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. Cr(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form CrS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with four equivalent Mn(1)S6 octahedra. Mn(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form MnS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Mn(1)S6 octahedra, and edges with four equivalent Cr(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), two equivalent Cr(1), and one Mn(1) atom to form distorted SMgMnCr2 trigonal pyramids that share corners with six equivalent S(2)MgMn2Cr trigonal pyramids, corners with six equivalent S(1)MgMnCr2 trigonal pyramids,  an edgeedge with one S(1)MgMnCr2 trigonal pyramid, and edges with two equivalent S(2)MgMn2Cr trigonal pyramids. In the second S site, S(2) is bonded to one Mg(1), one Cr(1), and two equivalent Mn(1) atoms to form distorted SMgMn2Cr trigonal pyramids that share corners with six equivalent S(2)MgMn2Cr trigonal pyramids, corners with six equivalent S(1)MgMnCr2 trigonal pyramids,  an edgeedge with one S(2)MgMn2Cr trigonal pyramid, and edges with two equivalent S(1)MgMnCr2 trigonal pyramids. is represented by the CIF card [CIF]
data_MgMnCrS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.252
_cell_length_b   7.253
_cell_length_c   7.253
_cell_angle_alpha   60.052
_cell_angle_beta   60.032
_cell_angle_gamma   60.033
_symmetry_Int_Tables_number   1
_cell_volume   270.004
_cell_formula_units_Z   2
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
  Mg  Mg0  1  0.874  0.876  0.876  1.0
  Mg  Mg1  1  0.126  0.124  0.124  1.0
  Mn  Mn2  1  0.500  0.500  0.500  1.0
  Mn  Mn3  1  0.000  0.500  0.500  1.0
  Cr  Cr4  1  0.500  0.500  0.000  1.0
  Cr  Cr5  1  0.500  1.000  0.500  1.0
  S  S6  1  0.732  0.740  0.740  1.0
  S  S7  1  0.265  0.258  0.713  1.0
  S  S8  1  0.265  0.713  0.258  1.0
  S  S9  1  0.712  0.260  0.260  1.0
  S  S10  1  0.735  0.287  0.742  1.0
  S  S11  1  0.288  0.740  0.740  1.0
  S  S12  1  0.268  0.260  0.260  1.0
  S  S13  1  0.735  0.742  0.287  1.0
[/CIF]
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