The crystal structure described by AlV2O4 is Spinel-like structured and crystallizes in the trigonal R-3m space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to six equivalent O(4) atoms to form VO6 octahedra that share corners with six equivalent Al(2)O4 tetrahedra and edges with six equivalent V(3)O6 octahedra. In the second V site, V(2) is bonded to six equivalent O(3) atoms to form VO6 octahedra that share corners with six equivalent Al(1)O4 tetrahedra and edges with six equivalent V(3)O6 octahedra. In the third V site, V(3) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with three equivalent Al(1)O4 tetrahedra, corners with three equivalent Al(2)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, and edges with four equivalent V(3)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(3) atoms to form AlO4 tetrahedra that share corners with three equivalent V(2)O6 octahedra and corners with nine equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-59°. In the second Al site, Al(2) is bonded to one O(2) and three equivalent O(4) atoms to form AlO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra and corners with nine equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-59°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal pyramidal geometry to three equivalent V(3) and one Al(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent V(3) and one Al(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one V(2), two equivalent V(3), and one Al(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one V(1), two equivalent V(3), and one Al(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlV2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.385
_cell_length_b   10.385
_cell_length_c   10.385
_cell_angle_alpha   32.659
_cell_angle_beta   32.659
_cell_angle_gamma   32.659
_symmetry_Int_Tables_number   1
_cell_volume   290.076
_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  0.184  0.184  0.184  1.0
  Al  Al1  1  0.816  0.816  0.816  1.0
  Al  Al2  1  0.307  0.307  0.307  1.0
  Al  Al3  1  0.693  0.693  0.693  1.0
  V  V4  1  0.000  0.000  0.000  1.0
  V  V5  1  0.500  0.500  0.500  1.0
  V  V6  1  0.719  0.267  0.267  1.0
  V  V7  1  0.281  0.733  0.733  1.0
  V  V8  1  0.267  0.267  0.719  1.0
  V  V9  1  0.733  0.733  0.281  1.0
  V  V10  1  0.267  0.719  0.267  1.0
  V  V11  1  0.733  0.281  0.733  1.0
  O  O12  1  0.122  0.122  0.122  1.0
  O  O13  1  0.878  0.878  0.878  1.0
  O  O14  1  0.369  0.369  0.369  1.0
  O  O15  1  0.631  0.631  0.631  1.0
  O  O16  1  0.883  0.369  0.369  1.0
  O  O17  1  0.117  0.631  0.631  1.0
  O  O18  1  0.369  0.369  0.883  1.0
  O  O19  1  0.631  0.631  0.117  1.0
  O  O20  1  0.369  0.883  0.369  1.0
  O  O21  1  0.631  0.117  0.631  1.0
  O  O22  1  0.622  0.120  0.120  1.0
  O  O23  1  0.378  0.880  0.880  1.0
  O  O24  1  0.120  0.120  0.622  1.0
  O  O25  1  0.880  0.880  0.378  1.0
  O  O26  1  0.120  0.622  0.120  1.0
  O  O27  1  0.880  0.378  0.880  1.0
[/CIF]
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The crystal structure described by AlV2O4 is Spinel-like structured and crystallizes in the trigonal R-3m space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to six equivalent O(4) atoms to form VO6 octahedra that share corners with six equivalent Al(2)O4 tetrahedra and edges with six equivalent V(3)O6 octahedra. In the second V site, V(2) is bonded to six equivalent O(3) atoms to form VO6 octahedra that share corners with six equivalent Al(1)O4 tetrahedra and edges with six equivalent V(3)O6 octahedra. In the third V site, V(3) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with three equivalent Al(1)O4 tetrahedra, corners with three equivalent Al(2)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, and edges with four equivalent V(3)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(3) atoms to form AlO4 tetrahedra that share corners with three equivalent V(2)O6 octahedra and corners with nine equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-59°. In the second Al site, Al(2) is bonded to one O(2) and three equivalent O(4) atoms to form AlO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra and corners with nine equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-59°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal pyramidal geometry to three equivalent V(3) and one Al(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent V(3) and one Al(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one V(2), two equivalent V(3), and one Al(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one V(1), two equivalent V(3), and one Al(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlV2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.385
_cell_length_b   10.385
_cell_length_c   10.385
_cell_angle_alpha   32.659
_cell_angle_beta   32.659
_cell_angle_gamma   32.659
_symmetry_Int_Tables_number   1
_cell_volume   290.076
_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  0.184  0.184  0.184  1.0
  Al  Al1  1  0.816  0.816  0.816  1.0
  Al  Al2  1  0.307  0.307  0.307  1.0
  Al  Al3  1  0.693  0.693  0.693  1.0
  V  V4  1  0.000  0.000  0.000  1.0
  V  V5  1  0.500  0.500  0.500  1.0
  V  V6  1  0.719  0.267  0.267  1.0
  V  V7  1  0.281  0.733  0.733  1.0
  V  V8  1  0.267  0.267  0.719  1.0
  V  V9  1  0.733  0.733  0.281  1.0
  V  V10  1  0.267  0.719  0.267  1.0
  V  V11  1  0.733  0.281  0.733  1.0
  O  O12  1  0.122  0.122  0.122  1.0
  O  O13  1  0.878  0.878  0.878  1.0
  O  O14  1  0.369  0.369  0.369  1.0
  O  O15  1  0.631  0.631  0.631  1.0
  O  O16  1  0.883  0.369  0.369  1.0
  O  O17  1  0.117  0.631  0.631  1.0
  O  O18  1  0.369  0.369  0.883  1.0
  O  O19  1  0.631  0.631  0.117  1.0
  O  O20  1  0.369  0.883  0.369  1.0
  O  O21  1  0.631  0.117  0.631  1.0
  O  O22  1  0.622  0.120  0.120  1.0
  O  O23  1  0.378  0.880  0.880  1.0
  O  O24  1  0.120  0.120  0.622  1.0
  O  O25  1  0.880  0.880  0.378  1.0
  O  O26  1  0.120  0.622  0.120  1.0
  O  O27  1  0.880  0.378  0.880  1.0
[/CIF]
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