The crystal structure described by AlV2O4 crystallizes in the orthorhombic Imma space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form VO6 octahedra that share edges with two equivalent V(1)O6 octahedra, edges with four equivalent V(2)O6 octahedra, and edges with four equivalent Al(1)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent Al(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent Al(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. Al(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form AlO6 octahedra that share corners with six equivalent V(2)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent Al(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(2), two equivalent V(1), and one Al(1) atom. In the second O site, O(2) is bonded to one V(1), two equivalent V(2), and two equivalent Al(1) atoms to form a mixture of corner and edge-sharing OAl2V3 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlV2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.934
_cell_length_b   5.934
_cell_length_c   5.934
_cell_angle_alpha   120.314
_cell_angle_beta   118.699
_cell_angle_gamma   90.863
_symmetry_Int_Tables_number   1
_cell_volume   148.833
_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  0.000  0.000  0.500  1.0
  Al  Al1  1  0.000  0.500  0.000  1.0
  V  V2  1  0.500  0.500  0.000  1.0
  V  V3  1  0.500  0.000  0.000  1.0
  V  V4  1  0.000  0.500  0.500  1.0
  V  V5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.233  0.258  0.525  1.0
  O  O7  1  0.774  0.746  0.028  1.0
  O  O8  1  0.233  0.707  0.975  1.0
  O  O9  1  0.781  0.254  0.528  1.0
  O  O10  1  0.767  0.293  0.025  1.0
  O  O11  1  0.226  0.254  0.972  1.0
  O  O12  1  0.219  0.746  0.472  1.0
  O  O13  1  0.767  0.742  0.475  1.0
[/CIF]
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The crystal structure described by AlV2O4 crystallizes in the orthorhombic Imma space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form VO6 octahedra that share edges with two equivalent V(1)O6 octahedra, edges with four equivalent V(2)O6 octahedra, and edges with four equivalent Al(1)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent Al(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent Al(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. Al(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form AlO6 octahedra that share corners with six equivalent V(2)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent Al(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(2), two equivalent V(1), and one Al(1) atom. In the second O site, O(2) is bonded to one V(1), two equivalent V(2), and two equivalent Al(1) atoms to form a mixture of corner and edge-sharing OAl2V3 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlV2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.934
_cell_length_b   5.934
_cell_length_c   5.934
_cell_angle_alpha   120.314
_cell_angle_beta   118.699
_cell_angle_gamma   90.863
_symmetry_Int_Tables_number   1
_cell_volume   148.833
_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  0.000  0.000  0.500  1.0
  Al  Al1  1  0.000  0.500  0.000  1.0
  V  V2  1  0.500  0.500  0.000  1.0
  V  V3  1  0.500  0.000  0.000  1.0
  V  V4  1  0.000  0.500  0.500  1.0
  V  V5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.233  0.258  0.525  1.0
  O  O7  1  0.774  0.746  0.028  1.0
  O  O8  1  0.233  0.707  0.975  1.0
  O  O9  1  0.781  0.254  0.528  1.0
  O  O10  1  0.767  0.293  0.025  1.0
  O  O11  1  0.226  0.254  0.972  1.0
  O  O12  1  0.219  0.746  0.472  1.0
  O  O13  1  0.767  0.742  0.475  1.0
[/CIF]
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