The structure described by AlVO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. V(1) is bonded to six equivalent O(1) atoms to form VO6 octahedra that share corners with nine equivalent Al(1)O6 octahedra, edges with three equivalent V(1)O6 octahedra, and  a faceface with one Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-59°. Al(1) is bonded to six equivalent O(1) atoms to form AlO6 octahedra that share corners with nine equivalent V(1)O6 octahedra, edges with three equivalent Al(1)O6 octahedra, and  a faceface with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-59°. O(1) is bonded to two equivalent V(1) and two equivalent Al(1) atoms to form a mixture of distorted corner and edge-sharing OAl2V2 trigonal pyramids. is represented by the CIF card [CIF]
data_AlVO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.881
_cell_length_b   4.881
_cell_length_c   5.317
_cell_angle_alpha   90.010
_cell_angle_beta   117.308
_cell_angle_gamma   119.998
_symmetry_Int_Tables_number   1
_cell_volume   93.056
_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  0.700  0.850  0.549  1.0
  Al  Al1  1  0.300  0.150  0.451  1.0
  O  O2  1  0.210  0.441  0.263  1.0
  O  O3  1  0.178  0.231  0.737  1.0
  O  O4  1  0.505  0.947  0.737  1.0
  O  O5  1  0.495  0.053  0.263  1.0
  O  O6  1  0.822  0.769  0.263  1.0
  O  O7  1  0.790  0.559  0.737  1.0
  V  V8  1  0.297  0.648  0.945  1.0
  V  V9  1  0.703  0.352  0.055  1.0
[/CIF]
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The structure described by AlVO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. V(1) is bonded to six equivalent O(1) atoms to form VO6 octahedra that share corners with nine equivalent Al(1)O6 octahedra, edges with three equivalent V(1)O6 octahedra, and  a faceface with one Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-59°. Al(1) is bonded to six equivalent O(1) atoms to form AlO6 octahedra that share corners with nine equivalent V(1)O6 octahedra, edges with three equivalent Al(1)O6 octahedra, and  a faceface with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-59°. O(1) is bonded to two equivalent V(1) and two equivalent Al(1) atoms to form a mixture of distorted corner and edge-sharing OAl2V2 trigonal pyramids. is represented by the CIF card [CIF]
data_AlVO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.881
_cell_length_b   4.881
_cell_length_c   5.317
_cell_angle_alpha   90.010
_cell_angle_beta   117.308
_cell_angle_gamma   119.998
_symmetry_Int_Tables_number   1
_cell_volume   93.056
_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  0.700  0.850  0.549  1.0
  Al  Al1  1  0.300  0.150  0.451  1.0
  O  O2  1  0.210  0.441  0.263  1.0
  O  O3  1  0.178  0.231  0.737  1.0
  O  O4  1  0.505  0.947  0.737  1.0
  O  O5  1  0.495  0.053  0.263  1.0
  O  O6  1  0.822  0.769  0.263  1.0
  O  O7  1  0.790  0.559  0.737  1.0
  V  V8  1  0.297  0.648  0.945  1.0
  V  V9  1  0.703  0.352  0.055  1.0
[/CIF]
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