The compound described by AlVO3 is beta indium sulfide-derived structured and crystallizes in the monoclinic Cm space group. There are five inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Al(6)O4 tetrahedra, corners with two equivalent Al(4)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Al(2)O6 octahedra,  an edgeedge with one Al(3)O6 octahedra,  an edgeedge with one Al(5)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. In the second V site, V(2) is bonded to one O(5), one O(9), two equivalent O(7), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent Al(4)O4 tetrahedra, corners with two equivalent Al(6)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent Al(5)O6 octahedra. In the third V site, V(3) is bonded to one O(10), one O(11), one O(12), one O(13), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Al(4)O4 tetrahedra,  a cornercorner with one Al(8)O4 tetrahedra, corners with two equivalent Al(6)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one Al(5)O6 octahedra,  an edgeedge with one Al(7)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. In the fourth V site, V(4) is bonded to one O(11), one O(16), two equivalent O(13), and two equivalent O(14) atoms to form VO6 octahedra that share  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Al(6)O4 tetrahedra, corners with two equivalent Al(8)O4 tetrahedra, edges with two equivalent V(3)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with two equivalent Al(7)O6 octahedra. In the fifth V site, V(5) is bonded to one O(1), one O(14), one O(15), one O(16), one O(17), and one O(18) atom to form VO6 octahedra that share corners with two equivalent Al(1)O4 tetrahedra, corners with two equivalent Al(8)O4 tetrahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one Al(2)O6 octahedra,  an edgeedge with one Al(3)O6 octahedra,  an edgeedge with one Al(7)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. There are eight inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(15), one O(16), and two equivalent O(2) atoms to form AlO4 tetrahedra that share  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one Al(7)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent Al(2)O6 octahedra, corners with two equivalent Al(3)O6 octahedra, and corners with four equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-63°. In the second Al site, Al(2) is bonded to one O(17), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form AlO6 octahedra that share  a cornercorner with one Al(4)O4 tetrahedra,  a cornercorner with one Al(8)O4 tetrahedra, corners with two equivalent Al(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with two equivalent Al(3)O6 octahedra. In the third Al site, Al(3) is bonded to one O(18), one O(3), two equivalent O(1), and two equivalent O(2) atoms to form AlO6 octahedra that share  a cornercorner with one Al(4)O4 tetrahedra,  a cornercorner with one Al(8)O4 tetrahedra, corners with two equivalent Al(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with two equivalent Al(2)O6 octahedra. In the fourth Al site, Al(4) is bonded to one O(3), one O(4), and two equivalent O(8) atoms to form AlO4 tetrahedra that share  a cornercorner with one Al(2)O6 octahedra,  a cornercorner with one Al(3)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent Al(5)O6 octahedra, and corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-60°. In the fifth Al site, Al(5) is bonded to one O(10), one O(6), two equivalent O(7), and two equivalent O(8) atoms to form AlO6 octahedra that share corners with two equivalent Al(4)O4 tetrahedra, corners with two equivalent Al(6)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. In the sixth Al site, Al(6) is bonded to one O(11), one O(12), and two equivalent O(7) atoms to form AlO4 tetrahedra that share  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one Al(7)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent Al(5)O6 octahedra, and corners with four equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-59°. In the seventh Al site, Al(7) is bonded to one O(12), one O(15), two equivalent O(13), and two equivalent O(14) atoms to form AlO6 octahedra that share  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Al(6)O4 tetrahedra, corners with two equivalent Al(8)O4 tetrahedra, edges with two equivalent V(3)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. In the eighth Al site, Al(8) is bonded to one O(17), one O(18), and two equivalent O(13) atoms to form AlO4 tetrahedra that share  a cornercorner with one Al(2)O6 octahedra,  a cornercorner with one Al(3)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent Al(7)O6 octahedra, and corners with four equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-60°. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one V(5), one Al(2), and one Al(3) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one V(1), one Al(1), one Al(2), and one Al(3) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent V(1), one Al(3), and one Al(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal pyramidal geometry to two equivalent V(1), one Al(2), and one Al(4) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one V(2) and two equivalent V(1) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to two equivalent V(1) and one Al(5) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one V(1), one V(2), one Al(5), and one Al(6) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one V(2), one V(3), one Al(4), and one Al(5) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one V(2) and two equivalent V(3) atoms. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to two equivalent V(3) and one Al(5) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one V(4), two equivalent V(3), and one Al(6) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to two equivalent V(3), one Al(6), and one Al(7) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one V(3), one V(4), one Al(7), and one Al(8) atom. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one V(4), one V(5), and one Al(7) atom. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to two equivalent V(5), one Al(1), and one Al(7) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one V(4), two equivalent V(5), and one Al(1) atom. In the seventeenth O site, O(17) is bonded in a rectangular see-saw-like geometry to two equivalent V(5), one Al(2), and one Al(8) atom. In the eighteenth O site, O(18) is bonded in a rectangular see-saw-like geometry to two equivalent V(5), one Al(3), and one Al(8) atom. is represented by the CIF card [CIF]
data_AlVO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.214
_cell_length_b   13.214
_cell_length_c   5.837
_cell_angle_alpha   77.303
_cell_angle_beta   77.303
_cell_angle_gamma   25.711
_symmetry_Int_Tables_number   1
_cell_volume   430.765
_cell_formula_units_Z   8
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  0.004  0.004  0.992  1.0
  Al  Al1  1  0.540  0.540  0.699  1.0
  Al  Al2  1  0.539  0.539  0.218  1.0
  Al  Al3  1  0.661  0.661  0.342  1.0
  Al  Al4  1  0.208  0.208  0.539  1.0
  Al  Al5  1  0.754  0.754  0.744  1.0
  Al  Al6  1  0.878  0.878  0.865  1.0
  Al  Al7  1  0.415  0.415  0.075  1.0
  V  V8  1  0.881  0.369  0.873  1.0
  V  V9  1  0.369  0.881  0.873  1.0
  V  V10  1  0.207  0.207  0.041  1.0
  V  V11  1  0.534  0.047  0.206  1.0
  V  V12  1  0.047  0.534  0.206  1.0
  V  V13  1  0.878  0.878  0.375  1.0
  V  V14  1  0.709  0.209  0.539  1.0
  V  V15  1  0.209  0.709  0.539  1.0
  O  O16  1  0.742  0.329  0.462  1.0
  O  O17  1  0.329  0.742  0.462  1.0
  O  O18  1  0.772  0.312  0.955  1.0
  O  O19  1  0.312  0.772  0.955  1.0
  O  O20  1  0.619  0.619  0.127  1.0
  O  O21  1  0.619  0.619  0.637  1.0
  O  O22  1  0.130  0.130  0.094  1.0
  O  O23  1  0.136  0.136  0.643  1.0
  O  O24  1  0.459  0.964  0.782  1.0
  O  O25  1  0.964  0.459  0.782  1.0
  O  O26  1  0.958  0.451  0.301  1.0
  O  O27  1  0.451  0.958  0.301  1.0
  O  O28  1  0.285  0.285  0.988  1.0
  O  O29  1  0.280  0.280  0.438  1.0
  O  O30  1  0.795  0.795  0.447  1.0
  O  O31  1  0.797  0.797  0.955  1.0
  O  O32  1  0.114  0.636  0.108  1.0
  O  O33  1  0.636  0.114  0.108  1.0
  O  O34  1  0.668  0.096  0.629  1.0
  O  O35  1  0.096  0.668  0.629  1.0
  O  O36  1  0.958  0.958  0.800  1.0
  O  O37  1  0.960  0.960  0.286  1.0
  O  O38  1  0.461  0.461  0.790  1.0
  O  O39  1  0.460  0.460  0.277  1.0
[/CIF]
.
The compound described by AlVO3 is beta indium sulfide-derived structured and crystallizes in the monoclinic Cm space group. There are five inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Al(6)O4 tetrahedra, corners with two equivalent Al(4)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Al(2)O6 octahedra,  an edgeedge with one Al(3)O6 octahedra,  an edgeedge with one Al(5)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. In the second V site, V(2) is bonded to one O(5), one O(9), two equivalent O(7), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent Al(4)O4 tetrahedra, corners with two equivalent Al(6)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent Al(5)O6 octahedra. In the third V site, V(3) is bonded to one O(10), one O(11), one O(12), one O(13), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Al(4)O4 tetrahedra,  a cornercorner with one Al(8)O4 tetrahedra, corners with two equivalent Al(6)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one Al(5)O6 octahedra,  an edgeedge with one Al(7)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. In the fourth V site, V(4) is bonded to one O(11), one O(16), two equivalent O(13), and two equivalent O(14) atoms to form VO6 octahedra that share  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Al(6)O4 tetrahedra, corners with two equivalent Al(8)O4 tetrahedra, edges with two equivalent V(3)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with two equivalent Al(7)O6 octahedra. In the fifth V site, V(5) is bonded to one O(1), one O(14), one O(15), one O(16), one O(17), and one O(18) atom to form VO6 octahedra that share corners with two equivalent Al(1)O4 tetrahedra, corners with two equivalent Al(8)O4 tetrahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one Al(2)O6 octahedra,  an edgeedge with one Al(3)O6 octahedra,  an edgeedge with one Al(7)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. There are eight inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(15), one O(16), and two equivalent O(2) atoms to form AlO4 tetrahedra that share  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one Al(7)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent Al(2)O6 octahedra, corners with two equivalent Al(3)O6 octahedra, and corners with four equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-63°. In the second Al site, Al(2) is bonded to one O(17), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form AlO6 octahedra that share  a cornercorner with one Al(4)O4 tetrahedra,  a cornercorner with one Al(8)O4 tetrahedra, corners with two equivalent Al(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with two equivalent Al(3)O6 octahedra. In the third Al site, Al(3) is bonded to one O(18), one O(3), two equivalent O(1), and two equivalent O(2) atoms to form AlO6 octahedra that share  a cornercorner with one Al(4)O4 tetrahedra,  a cornercorner with one Al(8)O4 tetrahedra, corners with two equivalent Al(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with two equivalent Al(2)O6 octahedra. In the fourth Al site, Al(4) is bonded to one O(3), one O(4), and two equivalent O(8) atoms to form AlO4 tetrahedra that share  a cornercorner with one Al(2)O6 octahedra,  a cornercorner with one Al(3)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent Al(5)O6 octahedra, and corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-60°. In the fifth Al site, Al(5) is bonded to one O(10), one O(6), two equivalent O(7), and two equivalent O(8) atoms to form AlO6 octahedra that share corners with two equivalent Al(4)O4 tetrahedra, corners with two equivalent Al(6)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. In the sixth Al site, Al(6) is bonded to one O(11), one O(12), and two equivalent O(7) atoms to form AlO4 tetrahedra that share  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one Al(7)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent Al(5)O6 octahedra, and corners with four equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-59°. In the seventh Al site, Al(7) is bonded to one O(12), one O(15), two equivalent O(13), and two equivalent O(14) atoms to form AlO6 octahedra that share  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Al(6)O4 tetrahedra, corners with two equivalent Al(8)O4 tetrahedra, edges with two equivalent V(3)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. In the eighth Al site, Al(8) is bonded to one O(17), one O(18), and two equivalent O(13) atoms to form AlO4 tetrahedra that share  a cornercorner with one Al(2)O6 octahedra,  a cornercorner with one Al(3)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent Al(7)O6 octahedra, and corners with four equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-60°. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one V(5), one Al(2), and one Al(3) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one V(1), one Al(1), one Al(2), and one Al(3) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent V(1), one Al(3), and one Al(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal pyramidal geometry to two equivalent V(1), one Al(2), and one Al(4) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one V(2) and two equivalent V(1) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to two equivalent V(1) and one Al(5) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one V(1), one V(2), one Al(5), and one Al(6) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one V(2), one V(3), one Al(4), and one Al(5) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one V(2) and two equivalent V(3) atoms. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to two equivalent V(3) and one Al(5) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one V(4), two equivalent V(3), and one Al(6) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to two equivalent V(3), one Al(6), and one Al(7) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one V(3), one V(4), one Al(7), and one Al(8) atom. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one V(4), one V(5), and one Al(7) atom. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to two equivalent V(5), one Al(1), and one Al(7) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one V(4), two equivalent V(5), and one Al(1) atom. In the seventeenth O site, O(17) is bonded in a rectangular see-saw-like geometry to two equivalent V(5), one Al(2), and one Al(8) atom. In the eighteenth O site, O(18) is bonded in a rectangular see-saw-like geometry to two equivalent V(5), one Al(3), and one Al(8) atom. is represented by the CIF card [CIF]
data_AlVO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.214
_cell_length_b   13.214
_cell_length_c   5.837
_cell_angle_alpha   77.303
_cell_angle_beta   77.303
_cell_angle_gamma   25.711
_symmetry_Int_Tables_number   1
_cell_volume   430.765
_cell_formula_units_Z   8
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  0.004  0.004  0.992  1.0
  Al  Al1  1  0.540  0.540  0.699  1.0
  Al  Al2  1  0.539  0.539  0.218  1.0
  Al  Al3  1  0.661  0.661  0.342  1.0
  Al  Al4  1  0.208  0.208  0.539  1.0
  Al  Al5  1  0.754  0.754  0.744  1.0
  Al  Al6  1  0.878  0.878  0.865  1.0
  Al  Al7  1  0.415  0.415  0.075  1.0
  V  V8  1  0.881  0.369  0.873  1.0
  V  V9  1  0.369  0.881  0.873  1.0
  V  V10  1  0.207  0.207  0.041  1.0
  V  V11  1  0.534  0.047  0.206  1.0
  V  V12  1  0.047  0.534  0.206  1.0
  V  V13  1  0.878  0.878  0.375  1.0
  V  V14  1  0.709  0.209  0.539  1.0
  V  V15  1  0.209  0.709  0.539  1.0
  O  O16  1  0.742  0.329  0.462  1.0
  O  O17  1  0.329  0.742  0.462  1.0
  O  O18  1  0.772  0.312  0.955  1.0
  O  O19  1  0.312  0.772  0.955  1.0
  O  O20  1  0.619  0.619  0.127  1.0
  O  O21  1  0.619  0.619  0.637  1.0
  O  O22  1  0.130  0.130  0.094  1.0
  O  O23  1  0.136  0.136  0.643  1.0
  O  O24  1  0.459  0.964  0.782  1.0
  O  O25  1  0.964  0.459  0.782  1.0
  O  O26  1  0.958  0.451  0.301  1.0
  O  O27  1  0.451  0.958  0.301  1.0
  O  O28  1  0.285  0.285  0.988  1.0
  O  O29  1  0.280  0.280  0.438  1.0
  O  O30  1  0.795  0.795  0.447  1.0
  O  O31  1  0.797  0.797  0.955  1.0
  O  O32  1  0.114  0.636  0.108  1.0
  O  O33  1  0.636  0.114  0.108  1.0
  O  O34  1  0.668  0.096  0.629  1.0
  O  O35  1  0.096  0.668  0.629  1.0
  O  O36  1  0.958  0.958  0.800  1.0
  O  O37  1  0.960  0.960  0.286  1.0
  O  O38  1  0.461  0.461  0.790  1.0
  O  O39  1  0.460  0.460  0.277  1.0
[/CIF]
.