The material structure described by Al(VS2)4 crystallizes in the cubic F-43m space group. V(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form distorted VS6 octahedra that share corners with three equivalent Al(1)S4 tetrahedra and edges with six equivalent V(1)S6 octahedra. Al(1) is bonded to four equivalent S(2) atoms to form AlS4 tetrahedra that share corners with twelve equivalent V(1)S6 octahedra. The corner-sharing octahedral tilt angles are 64°. There are two inequivalent S sites. In the first S site, S(2) is bonded to three equivalent V(1) and one Al(1) atom to form a mixture of edge and corner-sharing SAlV3 tetrahedra. In the second S site, S(1) is bonded in a 3-coordinate geometry to three equivalent V(1) atoms. is represented by the CIF card [CIF]
data_Al(VS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.868
_cell_length_b   6.868
_cell_length_c   6.868
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   229.054
_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
  Al  Al0  1  0.000  0.000  0.000  1.0
  V  V1  1  0.606  0.606  0.183  1.0
  V  V2  1  0.606  0.183  0.606  1.0
  V  V3  1  0.183  0.606  0.606  1.0
  V  V4  1  0.606  0.606  0.606  1.0
  S  S5  1  0.371  0.371  0.888  1.0
  S  S6  1  0.371  0.888  0.371  1.0
  S  S7  1  0.888  0.371  0.371  1.0
  S  S8  1  0.371  0.371  0.371  1.0
  S  S9  1  0.865  0.865  0.406  1.0
  S  S10  1  0.865  0.406  0.865  1.0
  S  S11  1  0.406  0.865  0.865  1.0
  S  S12  1  0.865  0.865  0.865  1.0
[/CIF]
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The material structure described by Al(VS2)4 crystallizes in the cubic F-43m space group. V(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form distorted VS6 octahedra that share corners with three equivalent Al(1)S4 tetrahedra and edges with six equivalent V(1)S6 octahedra. Al(1) is bonded to four equivalent S(2) atoms to form AlS4 tetrahedra that share corners with twelve equivalent V(1)S6 octahedra. The corner-sharing octahedral tilt angles are 64°. There are two inequivalent S sites. In the first S site, S(2) is bonded to three equivalent V(1) and one Al(1) atom to form a mixture of edge and corner-sharing SAlV3 tetrahedra. In the second S site, S(1) is bonded in a 3-coordinate geometry to three equivalent V(1) atoms. is represented by the CIF card [CIF]
data_Al(VS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.868
_cell_length_b   6.868
_cell_length_c   6.868
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   229.054
_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
  Al  Al0  1  0.000  0.000  0.000  1.0
  V  V1  1  0.606  0.606  0.183  1.0
  V  V2  1  0.606  0.183  0.606  1.0
  V  V3  1  0.183  0.606  0.606  1.0
  V  V4  1  0.606  0.606  0.606  1.0
  S  S5  1  0.371  0.371  0.888  1.0
  S  S6  1  0.371  0.888  0.371  1.0
  S  S7  1  0.888  0.371  0.371  1.0
  S  S8  1  0.371  0.371  0.371  1.0
  S  S9  1  0.865  0.865  0.406  1.0
  S  S10  1  0.865  0.406  0.865  1.0
  S  S11  1  0.406  0.865  0.865  1.0
  S  S12  1  0.865  0.865  0.865  1.0
[/CIF]
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