The compound described by AlV2O4 crystallizes in the monoclinic C2/c space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second V site, V(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. Al(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one V(1), one V(2), and one Al(1) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one V(1), one V(2), and one Al(1) atom. is represented by the CIF file [CIF]
data_AlV2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.556
_cell_length_b   6.556
_cell_length_c   5.399
_cell_angle_alpha   65.893
_cell_angle_beta   65.893
_cell_angle_gamma   108.971
_symmetry_Int_Tables_number   1
_cell_volume   156.019
_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  0.122  0.878  0.250  1.0
  Al  Al1  1  0.878  0.122  0.750  1.0
  V  V2  1  0.500  0.500  0.500  1.0
  V  V3  1  0.500  0.500  0.000  1.0
  V  V4  1  0.500  0.000  0.500  1.0
  V  V5  1  0.000  0.500  0.000  1.0
  O  O6  1  0.909  0.715  0.723  1.0
  O  O7  1  0.285  0.091  0.777  1.0
  O  O8  1  0.091  0.285  0.277  1.0
  O  O9  1  0.715  0.909  0.223  1.0
  O  O10  1  0.132  0.436  0.655  1.0
  O  O11  1  0.564  0.868  0.845  1.0
  O  O12  1  0.436  0.132  0.155  1.0
  O  O13  1  0.868  0.564  0.345  1.0
[/CIF]
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The compound described by AlV2O4 crystallizes in the monoclinic C2/c space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second V site, V(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. Al(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one V(1), one V(2), and one Al(1) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one V(1), one V(2), and one Al(1) atom. is represented by the CIF file [CIF]
data_AlV2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.556
_cell_length_b   6.556
_cell_length_c   5.399
_cell_angle_alpha   65.893
_cell_angle_beta   65.893
_cell_angle_gamma   108.971
_symmetry_Int_Tables_number   1
_cell_volume   156.019
_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  0.122  0.878  0.250  1.0
  Al  Al1  1  0.878  0.122  0.750  1.0
  V  V2  1  0.500  0.500  0.500  1.0
  V  V3  1  0.500  0.500  0.000  1.0
  V  V4  1  0.500  0.000  0.500  1.0
  V  V5  1  0.000  0.500  0.000  1.0
  O  O6  1  0.909  0.715  0.723  1.0
  O  O7  1  0.285  0.091  0.777  1.0
  O  O8  1  0.091  0.285  0.277  1.0
  O  O9  1  0.715  0.909  0.223  1.0
  O  O10  1  0.132  0.436  0.655  1.0
  O  O11  1  0.564  0.868  0.845  1.0
  O  O12  1  0.436  0.132  0.155  1.0
  O  O13  1  0.868  0.564  0.345  1.0
[/CIF]
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