The compound described by Mg2TiCr3S8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Mg(1) is bonded to one S(1) and three equivalent S(2) atoms to form MgS4 tetrahedra that share corners with three equivalent Ti(1)S6 octahedra and corners with nine equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. Ti(1) is bonded to six equivalent S(2) atoms to form TiS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra and edges with six equivalent Cr(1)S6 octahedra. Cr(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form CrS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Ti(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) and three equivalent Cr(1) atoms to form distorted SMgCr3 tetrahedra that share corners with three equivalent S(1)MgCr3 tetrahedra, corners with nine equivalent S(2)MgTiCr2 trigonal pyramids, and edges with three equivalent S(2)MgTiCr2 trigonal pyramids. In the second S site, S(2) is bonded to one Mg(1), one Ti(1), and two equivalent Cr(1) atoms to form distorted SMgTiCr2 trigonal pyramids that share corners with three equivalent S(1)MgCr3 tetrahedra, corners with nine equivalent S(2)MgTiCr2 trigonal pyramids,  an edgeedge with one S(1)MgCr3 tetrahedra, and edges with two equivalent S(2)MgTiCr2 trigonal pyramids. is represented by the CIF file [CIF]
data_Mg2TiCr3S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.232
_cell_length_b   7.233
_cell_length_c   7.233
_cell_angle_alpha   60.479
_cell_angle_beta   60.477
_cell_angle_gamma   60.477
_symmetry_Int_Tables_number   1
_cell_volume   270.414
_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
  Mg  Mg0  1  0.875  0.875  0.875  1.0
  Mg  Mg1  1  0.125  0.125  0.125  1.0
  Ti  Ti2  1  0.500  0.500  0.500  1.0
  Cr  Cr3  1  0.500  0.500  0.000  1.0
  Cr  Cr4  1  1.000  0.500  0.500  1.0
  Cr  Cr5  1  0.500  1.000  0.500  1.0
  S  S6  1  0.737  0.737  0.737  1.0
  S  S7  1  0.259  0.259  0.714  1.0
  S  S8  1  0.259  0.714  0.259  1.0
  S  S9  1  0.714  0.259  0.259  1.0
  S  S10  1  0.741  0.286  0.741  1.0
  S  S11  1  0.286  0.741  0.741  1.0
  S  S12  1  0.263  0.263  0.263  1.0
  S  S13  1  0.741  0.741  0.286  1.0
[/CIF]
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The compound described by Mg2TiCr3S8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Mg(1) is bonded to one S(1) and three equivalent S(2) atoms to form MgS4 tetrahedra that share corners with three equivalent Ti(1)S6 octahedra and corners with nine equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. Ti(1) is bonded to six equivalent S(2) atoms to form TiS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra and edges with six equivalent Cr(1)S6 octahedra. Cr(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form CrS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Ti(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) and three equivalent Cr(1) atoms to form distorted SMgCr3 tetrahedra that share corners with three equivalent S(1)MgCr3 tetrahedra, corners with nine equivalent S(2)MgTiCr2 trigonal pyramids, and edges with three equivalent S(2)MgTiCr2 trigonal pyramids. In the second S site, S(2) is bonded to one Mg(1), one Ti(1), and two equivalent Cr(1) atoms to form distorted SMgTiCr2 trigonal pyramids that share corners with three equivalent S(1)MgCr3 tetrahedra, corners with nine equivalent S(2)MgTiCr2 trigonal pyramids,  an edgeedge with one S(1)MgCr3 tetrahedra, and edges with two equivalent S(2)MgTiCr2 trigonal pyramids. is represented by the CIF file [CIF]
data_Mg2TiCr3S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.232
_cell_length_b   7.233
_cell_length_c   7.233
_cell_angle_alpha   60.479
_cell_angle_beta   60.477
_cell_angle_gamma   60.477
_symmetry_Int_Tables_number   1
_cell_volume   270.414
_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
  Mg  Mg0  1  0.875  0.875  0.875  1.0
  Mg  Mg1  1  0.125  0.125  0.125  1.0
  Ti  Ti2  1  0.500  0.500  0.500  1.0
  Cr  Cr3  1  0.500  0.500  0.000  1.0
  Cr  Cr4  1  1.000  0.500  0.500  1.0
  Cr  Cr5  1  0.500  1.000  0.500  1.0
  S  S6  1  0.737  0.737  0.737  1.0
  S  S7  1  0.259  0.259  0.714  1.0
  S  S8  1  0.259  0.714  0.259  1.0
  S  S9  1  0.714  0.259  0.259  1.0
  S  S10  1  0.741  0.286  0.741  1.0
  S  S11  1  0.286  0.741  0.741  1.0
  S  S12  1  0.263  0.263  0.263  1.0
  S  S13  1  0.741  0.741  0.286  1.0
[/CIF]
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