The crystal structure described by AlV2O4 is Spinel structured and crystallizes in the triclinic P-1 space group. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom 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(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent Al(1)O4 tetrahedra, corners with four equivalent Al(2)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. In the third V site, V(3) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent Al(2)O4 tetrahedra, corners with four equivalent Al(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. In the fourth V site, V(4) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom 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(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. In the fifth V site, V(5) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent Al(2)O4 tetrahedra, corners with four equivalent Al(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the sixth V site, V(6) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent Al(1)O4 tetrahedra, corners with four equivalent Al(2)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form AlO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(6)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(5)O6 octahedra, corners with three equivalent V(1)O6 octahedra, and corners with three equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-56°. In the second Al site, Al(2) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form AlO4 tetrahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(6)O6 octahedra, corners with three equivalent V(1)O6 octahedra, and corners with three equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-57°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(1), one V(2), one V(4), and one Al(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one V(1), one V(3), one V(4), and one Al(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one V(1), one V(4), one V(6), and one Al(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one V(1), one V(4), one V(5), and one Al(2) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one V(1), one V(3), one V(5), and one Al(1) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one V(1), one V(2), one V(6), and one Al(2) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one V(3), one V(4), one V(5), and one Al(1) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one V(2), one V(4), one V(6), and one Al(2) atom. is represented by the CIF card [CIF]
data_AlV2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.909
_cell_length_b   5.910
_cell_length_c   5.950
_cell_angle_alpha   119.692
_cell_angle_beta   119.102
_cell_angle_gamma   90.354
_symmetry_Int_Tables_number   1
_cell_volume   149.141
_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
  Al  Al0  1  0.378  0.628  0.750  1.0
  Al  Al1  1  0.623  0.372  0.251  1.0
  O  O2  1  0.745  0.249  0.499  1.0
  O  O3  1  0.255  0.750  0.501  1.0
  O  O4  1  0.748  0.755  0.998  1.0
  O  O5  1  0.745  0.241  0.998  1.0
  O  O6  1  0.746  0.746  0.502  1.0
  O  O7  1  0.254  0.759  0.002  1.0
  O  O8  1  0.253  0.245  0.002  1.0
  O  O9  1  0.254  0.255  0.498  1.0
  V  V10  1  1.000  0.500  1.000  1.0
  V  V11  1  0.500  1.000  0.500  1.0
  V  V12  1  0.000  0.000  0.500  1.0
  V  V13  1  1.000  0.000  1.000  1.0
[/CIF]
.
The crystal structure described by AlV2O4 is Spinel structured and crystallizes in the triclinic P-1 space group. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom 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(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent Al(1)O4 tetrahedra, corners with four equivalent Al(2)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. In the third V site, V(3) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent Al(2)O4 tetrahedra, corners with four equivalent Al(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. In the fourth V site, V(4) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom 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(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. In the fifth V site, V(5) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent Al(2)O4 tetrahedra, corners with four equivalent Al(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the sixth V site, V(6) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent Al(1)O4 tetrahedra, corners with four equivalent Al(2)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form AlO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(6)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(5)O6 octahedra, corners with three equivalent V(1)O6 octahedra, and corners with three equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-56°. In the second Al site, Al(2) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form AlO4 tetrahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(6)O6 octahedra, corners with three equivalent V(1)O6 octahedra, and corners with three equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-57°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(1), one V(2), one V(4), and one Al(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one V(1), one V(3), one V(4), and one Al(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one V(1), one V(4), one V(6), and one Al(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one V(1), one V(4), one V(5), and one Al(2) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one V(1), one V(3), one V(5), and one Al(1) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one V(1), one V(2), one V(6), and one Al(2) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one V(3), one V(4), one V(5), and one Al(1) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one V(2), one V(4), one V(6), and one Al(2) atom. is represented by the CIF card [CIF]
data_AlV2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.909
_cell_length_b   5.910
_cell_length_c   5.950
_cell_angle_alpha   119.692
_cell_angle_beta   119.102
_cell_angle_gamma   90.354
_symmetry_Int_Tables_number   1
_cell_volume   149.141
_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
  Al  Al0  1  0.378  0.628  0.750  1.0
  Al  Al1  1  0.623  0.372  0.251  1.0
  O  O2  1  0.745  0.249  0.499  1.0
  O  O3  1  0.255  0.750  0.501  1.0
  O  O4  1  0.748  0.755  0.998  1.0
  O  O5  1  0.745  0.241  0.998  1.0
  O  O6  1  0.746  0.746  0.502  1.0
  O  O7  1  0.254  0.759  0.002  1.0
  O  O8  1  0.253  0.245  0.002  1.0
  O  O9  1  0.254  0.255  0.498  1.0
  V  V10  1  1.000  0.500  1.000  1.0
  V  V11  1  0.500  1.000  0.500  1.0
  V  V12  1  0.000  0.000  0.500  1.0
  V  V13  1  1.000  0.000  1.000  1.0
[/CIF]
.