The crystal structure described by Mg2V3AlS8 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 Al(1)S6 octahedra and corners with nine equivalent V(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 58-59°. V(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form VS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Al(1)S6 octahedra, and edges with four equivalent V(1)S6 octahedra. Al(1) is bonded to six equivalent S(2) atoms to form AlS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra and edges with six equivalent V(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 V(1) atoms to form distorted SMgV3 trigonal pyramids that share corners with three equivalent S(1)MgV3 trigonal pyramids, corners with nine equivalent S(2)MgAlV2 trigonal pyramids, and edges with three equivalent S(2)MgAlV2 trigonal pyramids. In the second S site, S(2) is bonded to one Mg(1), two equivalent V(1), and one Al(1) atom to form distorted SMgAlV2 trigonal pyramids that share corners with three equivalent S(1)MgV3 trigonal pyramids, corners with nine equivalent S(2)MgAlV2 trigonal pyramids,  an edgeedge with one S(1)MgV3 trigonal pyramid, and edges with two equivalent S(2)MgAlV2 trigonal pyramids. is represented by the CIF file [CIF]
data_Mg2AlV3S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.305
_cell_length_b   7.310
_cell_length_c   7.308
_cell_angle_alpha   58.999
_cell_angle_beta   59.002
_cell_angle_gamma   58.957
_symmetry_Int_Tables_number   1
_cell_volume   269.592
_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
  Al  Al2  1  0.500  0.500  0.500  1.0
  V  V3  1  0.500  0.500  1.000  1.0
  V  V4  1  0.000  0.500  0.500  1.0
  V  V5  1  0.500  0.000  0.500  1.0
  S  S6  1  0.739  0.739  0.739  1.0
  S  S7  1  0.264  0.264  0.715  1.0
  S  S8  1  0.264  0.715  0.264  1.0
  S  S9  1  0.715  0.264  0.264  1.0
  S  S10  1  0.736  0.285  0.736  1.0
  S  S11  1  0.285  0.736  0.736  1.0
  S  S12  1  0.261  0.261  0.261  1.0
  S  S13  1  0.736  0.736  0.285  1.0
[/CIF]
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The crystal structure described by Mg2V3AlS8 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 Al(1)S6 octahedra and corners with nine equivalent V(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 58-59°. V(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form VS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Al(1)S6 octahedra, and edges with four equivalent V(1)S6 octahedra. Al(1) is bonded to six equivalent S(2) atoms to form AlS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra and edges with six equivalent V(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 V(1) atoms to form distorted SMgV3 trigonal pyramids that share corners with three equivalent S(1)MgV3 trigonal pyramids, corners with nine equivalent S(2)MgAlV2 trigonal pyramids, and edges with three equivalent S(2)MgAlV2 trigonal pyramids. In the second S site, S(2) is bonded to one Mg(1), two equivalent V(1), and one Al(1) atom to form distorted SMgAlV2 trigonal pyramids that share corners with three equivalent S(1)MgV3 trigonal pyramids, corners with nine equivalent S(2)MgAlV2 trigonal pyramids,  an edgeedge with one S(1)MgV3 trigonal pyramid, and edges with two equivalent S(2)MgAlV2 trigonal pyramids. is represented by the CIF file [CIF]
data_Mg2AlV3S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.305
_cell_length_b   7.310
_cell_length_c   7.308
_cell_angle_alpha   58.999
_cell_angle_beta   59.002
_cell_angle_gamma   58.957
_symmetry_Int_Tables_number   1
_cell_volume   269.592
_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
  Al  Al2  1  0.500  0.500  0.500  1.0
  V  V3  1  0.500  0.500  1.000  1.0
  V  V4  1  0.000  0.500  0.500  1.0
  V  V5  1  0.500  0.000  0.500  1.0
  S  S6  1  0.739  0.739  0.739  1.0
  S  S7  1  0.264  0.264  0.715  1.0
  S  S8  1  0.264  0.715  0.264  1.0
  S  S9  1  0.715  0.264  0.264  1.0
  S  S10  1  0.736  0.285  0.736  1.0
  S  S11  1  0.285  0.736  0.736  1.0
  S  S12  1  0.261  0.261  0.261  1.0
  S  S13  1  0.736  0.736  0.285  1.0
[/CIF]
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