The structure described by MgVAlS4 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form MgS4 tetrahedra that share corners with three equivalent V(1)S6 octahedra, corners with three equivalent V(2)S6 octahedra, and corners with six equivalent Al(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 56-60°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent S(3) and four equivalent S(1) atoms to form VS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent V(2)S6 octahedra, and edges with four equivalent Al(1)S6 octahedra. In the second V site, V(2) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form VS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent V(1)S6 octahedra, and edges with four equivalent Al(1)S6 octahedra. Al(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form AlS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent V(1)S6 octahedra, edges with two equivalent V(2)S6 octahedra, and edges with two equivalent Al(1)S6 octahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(1), one V(2), and one Al(1) atom. In the second S site, S(2) is bonded to one Mg(1), one V(2), and two equivalent Al(1) atoms to form a mixture of distorted edge and corner-sharing SMgAl2V trigonal pyramids. In the third S site, S(3) is bonded to one Mg(1), one V(1), and two equivalent Al(1) atoms to form a mixture of distorted edge and corner-sharing SMgAl2V trigonal pyramids. is represented by the CIF card [CIF]
data_MgAlVS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.247
_cell_length_b   7.280
_cell_length_c   7.272
_cell_angle_alpha   58.743
_cell_angle_beta   60.143
_cell_angle_gamma   60.178
_symmetry_Int_Tables_number   1
_cell_volume   269.264
_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  0.875  1.0
  Mg  Mg1  1  0.126  0.124  0.125  1.0
  Al  Al2  1  0.500  0.500  0.500  1.0
  Al  Al3  1  1.000  0.500  0.500  1.0
  V  V4  1  0.500  0.500  1.000  1.0
  V  V5  1  0.500  1.000  0.500  1.0
  S  S6  1  0.746  0.734  0.735  1.0
  S  S7  1  0.263  0.261  0.713  1.0
  S  S8  1  0.263  0.713  0.261  1.0
  S  S9  1  0.715  0.266  0.265  1.0
  S  S10  1  0.737  0.287  0.739  1.0
  S  S11  1  0.285  0.734  0.735  1.0
  S  S12  1  0.254  0.266  0.265  1.0
  S  S13  1  0.737  0.739  0.287  1.0
[/CIF]
.
The structure described by MgVAlS4 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form MgS4 tetrahedra that share corners with three equivalent V(1)S6 octahedra, corners with three equivalent V(2)S6 octahedra, and corners with six equivalent Al(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 56-60°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent S(3) and four equivalent S(1) atoms to form VS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent V(2)S6 octahedra, and edges with four equivalent Al(1)S6 octahedra. In the second V site, V(2) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form VS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent V(1)S6 octahedra, and edges with four equivalent Al(1)S6 octahedra. Al(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form AlS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent V(1)S6 octahedra, edges with two equivalent V(2)S6 octahedra, and edges with two equivalent Al(1)S6 octahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(1), one V(2), and one Al(1) atom. In the second S site, S(2) is bonded to one Mg(1), one V(2), and two equivalent Al(1) atoms to form a mixture of distorted edge and corner-sharing SMgAl2V trigonal pyramids. In the third S site, S(3) is bonded to one Mg(1), one V(1), and two equivalent Al(1) atoms to form a mixture of distorted edge and corner-sharing SMgAl2V trigonal pyramids. is represented by the CIF card [CIF]
data_MgAlVS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.247
_cell_length_b   7.280
_cell_length_c   7.272
_cell_angle_alpha   58.743
_cell_angle_beta   60.143
_cell_angle_gamma   60.178
_symmetry_Int_Tables_number   1
_cell_volume   269.264
_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  0.875  1.0
  Mg  Mg1  1  0.126  0.124  0.125  1.0
  Al  Al2  1  0.500  0.500  0.500  1.0
  Al  Al3  1  1.000  0.500  0.500  1.0
  V  V4  1  0.500  0.500  1.000  1.0
  V  V5  1  0.500  1.000  0.500  1.0
  S  S6  1  0.746  0.734  0.735  1.0
  S  S7  1  0.263  0.261  0.713  1.0
  S  S8  1  0.263  0.713  0.261  1.0
  S  S9  1  0.715  0.266  0.265  1.0
  S  S10  1  0.737  0.287  0.739  1.0
  S  S11  1  0.285  0.734  0.735  1.0
  S  S12  1  0.254  0.266  0.265  1.0
  S  S13  1  0.737  0.739  0.287  1.0
[/CIF]
.