The crystal structure described by Mg2VCr3S8 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 V(1)S6 octahedra and corners with nine equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles are 59°. V(1) is bonded to six equivalent S(2) atoms to form VS6 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 V(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 trigonal pyramids that share corners with three equivalent S(1)MgCr3 trigonal pyramids, corners with nine equivalent S(2)MgVCr2 trigonal pyramids, and edges with three equivalent S(2)MgVCr2 trigonal pyramids. In the second S site, S(2) is bonded to one Mg(1), one V(1), and two equivalent Cr(1) atoms to form distorted SMgVCr2 trigonal pyramids that share corners with three equivalent S(1)MgCr3 trigonal pyramids, corners with nine equivalent S(2)MgVCr2 trigonal pyramids,  an edgeedge with one S(1)MgCr3 trigonal pyramid, and edges with two equivalent S(2)MgVCr2 trigonal pyramids. is represented by the CIF card [CIF]
data_Mg2VCr3S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.235
_cell_length_b   7.231
_cell_length_c   7.226
_cell_angle_alpha   60.080
_cell_angle_beta   60.079
_cell_angle_gamma   60.064
_symmetry_Int_Tables_number   1
_cell_volume   267.791
_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
  V  V2  1  0.500  0.500  0.500  1.0
  Cr  Cr3  1  0.500  0.500  1.000  1.0
  Cr  Cr4  1  0.000  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  0.262  0.262  0.712  1.0
  S  S8  1  0.262  0.712  0.262  1.0
  S  S9  1  0.712  0.262  0.262  1.0
  S  S10  1  0.738  0.288  0.738  1.0
  S  S11  1  0.288  0.738  0.738  1.0
  S  S12  1  0.263  0.263  0.263  1.0
  S  S13  1  0.738  0.738  0.288  1.0
[/CIF]
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The crystal structure described by Mg2VCr3S8 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 V(1)S6 octahedra and corners with nine equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles are 59°. V(1) is bonded to six equivalent S(2) atoms to form VS6 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 V(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 trigonal pyramids that share corners with three equivalent S(1)MgCr3 trigonal pyramids, corners with nine equivalent S(2)MgVCr2 trigonal pyramids, and edges with three equivalent S(2)MgVCr2 trigonal pyramids. In the second S site, S(2) is bonded to one Mg(1), one V(1), and two equivalent Cr(1) atoms to form distorted SMgVCr2 trigonal pyramids that share corners with three equivalent S(1)MgCr3 trigonal pyramids, corners with nine equivalent S(2)MgVCr2 trigonal pyramids,  an edgeedge with one S(1)MgCr3 trigonal pyramid, and edges with two equivalent S(2)MgVCr2 trigonal pyramids. is represented by the CIF card [CIF]
data_Mg2VCr3S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.235
_cell_length_b   7.231
_cell_length_c   7.226
_cell_angle_alpha   60.080
_cell_angle_beta   60.079
_cell_angle_gamma   60.064
_symmetry_Int_Tables_number   1
_cell_volume   267.791
_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
  V  V2  1  0.500  0.500  0.500  1.0
  Cr  Cr3  1  0.500  0.500  1.000  1.0
  Cr  Cr4  1  0.000  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  0.262  0.262  0.712  1.0
  S  S8  1  0.262  0.712  0.262  1.0
  S  S9  1  0.712  0.262  0.262  1.0
  S  S10  1  0.738  0.288  0.738  1.0
  S  S11  1  0.288  0.738  0.738  1.0
  S  S12  1  0.263  0.263  0.263  1.0
  S  S13  1  0.738  0.738  0.288  1.0
[/CIF]
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