The structure described by V3AlO6 is beta indium sulfide-derived structured and crystallizes in the trigonal P-3m1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), two equivalent O(4), and two equivalent O(6) atoms to form VO6 octahedra that share  a cornercorner with one Al(1)O4 tetrahedra, corners with three equivalent Al(2)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(2) and four equivalent O(5) atoms to form VO6 octahedra that share corners with four equivalent Al(1)O4 tetrahedra, edges with two equivalent V(3)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. In the third V site, V(3) is bonded to three equivalent O(4) and three equivalent O(5) atoms to form VO6 octahedra that share corners with three equivalent Al(1)O4 tetrahedra, edges with three equivalent V(1)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. In the fourth V site, V(4) is bonded to six equivalent O(6) atoms to form VO6 octahedra that share corners with six equivalent Al(2)O4 tetrahedra and edges with six equivalent V(1)O6 octahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1) and three equivalent O(5) atoms to form AlO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(3)O6 octahedra, and corners with six equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-57°. In the second Al site, Al(2) is bonded to one O(3) and three equivalent O(6) atoms to form AlO4 tetrahedra that share corners with three equivalent V(4)O6 octahedra and corners with nine equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-57°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent V(1) and one Al(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent V(2) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to three equivalent V(1) and one Al(2) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(3) and two equivalent V(1) atoms. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one V(3), two equivalent V(2), and one Al(1) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one V(4), two equivalent V(1), and one Al(2) atom. is represented by the CIF file [CIF]
data_AlV3O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.950
_cell_length_b   5.950
_cell_length_c   14.686
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   450.178
_cell_formula_units_Z   4
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  0.871  1.0
  Al  Al1  1  0.333  0.667  0.544  1.0
  Al  Al2  1  0.000  0.000  0.129  1.0
  Al  Al3  1  0.667  0.333  0.456  1.0
  V  V4  1  0.829  0.659  0.669  1.0
  V  V5  1  0.500  0.000  0.000  1.0
  V  V6  1  0.171  0.341  0.331  1.0
  V  V7  1  0.829  0.171  0.669  1.0
  V  V8  1  0.500  0.500  0.000  1.0
  V  V9  1  0.171  0.829  0.331  1.0
  V  V10  1  0.667  0.333  0.828  1.0
  V  V11  1  0.333  0.667  0.172  1.0
  V  V12  1  0.000  0.000  0.500  1.0
  V  V13  1  0.341  0.171  0.669  1.0
  V  V14  1  0.000  0.500  0.000  1.0
  V  V15  1  0.659  0.829  0.331  1.0
  O  O16  1  0.000  0.000  0.748  1.0
  O  O17  1  0.667  0.333  0.063  1.0
  O  O18  1  0.333  0.667  0.422  1.0
  O  O19  1  0.963  0.482  0.741  1.0
  O  O20  1  0.663  0.832  0.086  1.0
  O  O21  1  0.326  0.163  0.417  1.0
  O  O22  1  0.518  0.037  0.741  1.0
  O  O23  1  0.168  0.337  0.086  1.0
  O  O24  1  0.837  0.674  0.417  1.0
  O  O25  1  0.518  0.482  0.741  1.0
  O  O26  1  0.168  0.832  0.086  1.0
  O  O27  1  0.837  0.163  0.417  1.0
  O  O28  1  0.337  0.168  0.914  1.0
  O  O29  1  0.037  0.518  0.259  1.0
  O  O30  1  0.674  0.837  0.583  1.0
  O  O31  1  0.333  0.667  0.937  1.0
  O  O32  1  0.000  0.000  0.252  1.0
  O  O33  1  0.667  0.333  0.578  1.0
  O  O34  1  0.832  0.663  0.914  1.0
  O  O35  1  0.482  0.963  0.259  1.0
  O  O36  1  0.163  0.326  0.583  1.0
  O  O37  1  0.832  0.168  0.914  1.0
  O  O38  1  0.482  0.518  0.259  1.0
  O  O39  1  0.163  0.837  0.583  1.0
[/CIF]
.
The structure described by V3AlO6 is beta indium sulfide-derived structured and crystallizes in the trigonal P-3m1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), two equivalent O(4), and two equivalent O(6) atoms to form VO6 octahedra that share  a cornercorner with one Al(1)O4 tetrahedra, corners with three equivalent Al(2)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(2) and four equivalent O(5) atoms to form VO6 octahedra that share corners with four equivalent Al(1)O4 tetrahedra, edges with two equivalent V(3)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. In the third V site, V(3) is bonded to three equivalent O(4) and three equivalent O(5) atoms to form VO6 octahedra that share corners with three equivalent Al(1)O4 tetrahedra, edges with three equivalent V(1)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. In the fourth V site, V(4) is bonded to six equivalent O(6) atoms to form VO6 octahedra that share corners with six equivalent Al(2)O4 tetrahedra and edges with six equivalent V(1)O6 octahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1) and three equivalent O(5) atoms to form AlO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(3)O6 octahedra, and corners with six equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-57°. In the second Al site, Al(2) is bonded to one O(3) and three equivalent O(6) atoms to form AlO4 tetrahedra that share corners with three equivalent V(4)O6 octahedra and corners with nine equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-57°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent V(1) and one Al(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent V(2) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to three equivalent V(1) and one Al(2) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(3) and two equivalent V(1) atoms. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one V(3), two equivalent V(2), and one Al(1) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one V(4), two equivalent V(1), and one Al(2) atom. is represented by the CIF file [CIF]
data_AlV3O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.950
_cell_length_b   5.950
_cell_length_c   14.686
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   450.178
_cell_formula_units_Z   4
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  0.871  1.0
  Al  Al1  1  0.333  0.667  0.544  1.0
  Al  Al2  1  0.000  0.000  0.129  1.0
  Al  Al3  1  0.667  0.333  0.456  1.0
  V  V4  1  0.829  0.659  0.669  1.0
  V  V5  1  0.500  0.000  0.000  1.0
  V  V6  1  0.171  0.341  0.331  1.0
  V  V7  1  0.829  0.171  0.669  1.0
  V  V8  1  0.500  0.500  0.000  1.0
  V  V9  1  0.171  0.829  0.331  1.0
  V  V10  1  0.667  0.333  0.828  1.0
  V  V11  1  0.333  0.667  0.172  1.0
  V  V12  1  0.000  0.000  0.500  1.0
  V  V13  1  0.341  0.171  0.669  1.0
  V  V14  1  0.000  0.500  0.000  1.0
  V  V15  1  0.659  0.829  0.331  1.0
  O  O16  1  0.000  0.000  0.748  1.0
  O  O17  1  0.667  0.333  0.063  1.0
  O  O18  1  0.333  0.667  0.422  1.0
  O  O19  1  0.963  0.482  0.741  1.0
  O  O20  1  0.663  0.832  0.086  1.0
  O  O21  1  0.326  0.163  0.417  1.0
  O  O22  1  0.518  0.037  0.741  1.0
  O  O23  1  0.168  0.337  0.086  1.0
  O  O24  1  0.837  0.674  0.417  1.0
  O  O25  1  0.518  0.482  0.741  1.0
  O  O26  1  0.168  0.832  0.086  1.0
  O  O27  1  0.837  0.163  0.417  1.0
  O  O28  1  0.337  0.168  0.914  1.0
  O  O29  1  0.037  0.518  0.259  1.0
  O  O30  1  0.674  0.837  0.583  1.0
  O  O31  1  0.333  0.667  0.937  1.0
  O  O32  1  0.000  0.000  0.252  1.0
  O  O33  1  0.667  0.333  0.578  1.0
  O  O34  1  0.832  0.663  0.914  1.0
  O  O35  1  0.482  0.963  0.259  1.0
  O  O36  1  0.163  0.326  0.583  1.0
  O  O37  1  0.832  0.168  0.914  1.0
  O  O38  1  0.482  0.518  0.259  1.0
  O  O39  1  0.163  0.837  0.583  1.0
[/CIF]
.