The material structure described by AlVO3 crystallizes in the triclinic P1 space group. There are eight inequivalent V sites. In the first V site, V(1) is bonded in a 4-coordinate geometry to one O(5), one O(6), one O(7), and one O(8) atom. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(16), one O(5), and one O(9) atom. In the fourth V site, V(4) is bonded in a 4-coordinate geometry to one O(13), one O(14), one O(15), and one O(16) atom. In the fifth V site, V(5) is bonded in a distorted octahedral geometry to one O(12), one O(13), one O(14), one O(15), one O(16), and one O(18) atom. In the sixth V site, V(6) is bonded in a 6-coordinate geometry to one O(14), one O(17), one O(18), one O(19), one O(20), and one O(24) atom. In the seventh V site, V(7) is bonded in a 6-coordinate geometry to one O(2), one O(20), one O(21), one O(22), one O(23), and one O(24) atom. In the eighth V site, V(8) is bonded in a 6-coordinate geometry to one O(1), one O(19), one O(21), one O(22), one O(23), and one O(24) atom. There are eight inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted single-bond geometry to one O(21), one O(22), and one O(4) atom. In the second Al site, Al(2) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(21), one O(3), and one O(4) atom. In the third Al site, Al(3) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(22), one O(3), one O(4), and one O(7) atom. In the fourth Al site, Al(4) is bonded in a distorted single-bond geometry to one O(11), one O(5), and one O(6) atom. In the fifth Al site, Al(5) is bonded in a 4-coordinate geometry to one O(10), one O(11), one O(12), one O(15), one O(6), and one O(9) atom. In the sixth Al site, Al(6) is bonded in a distorted single-bond geometry to one O(15), one O(16), and one O(9) atom. In the seventh Al site, Al(7) is bonded in a 6-coordinate geometry to one O(13), one O(17), one O(18), one O(19), one O(20), and one O(23) atom. In the eighth Al site, Al(8) is bonded in a distorted single-bond geometry to one O(17), one O(23), and one O(24) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(8), one Al(2), and one Al(3) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one V(7), one Al(2), and one Al(3) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one V(2), one Al(2), and one Al(3) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Al(1), one Al(2), and one Al(3) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one V(1), one V(2), one V(3), and one Al(4) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one V(1), one V(2), one Al(4), and one Al(5) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one V(1), one V(2), and one Al(3) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one V(1) and one V(2) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one V(3), one Al(5), and one Al(6) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one V(2), one V(3), and one Al(5) atom. In the eleventh O site, O(11) is bonded in a 1-coordinate geometry to one V(3), one Al(4), and one Al(5) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one V(3), one V(5), and one Al(5) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to one V(4), one V(5), and one Al(7) atom. In the fourteenth O site, O(14) is bonded in a 2-coordinate geometry to one V(4), one V(5), and one V(6) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one V(4), one V(5), one Al(5), and one Al(6) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one V(3), one V(4), one V(5), and one Al(6) atom. In the seventeenth O site, O(17) is bonded in a distorted single-bond geometry to one V(6), one Al(7), and one Al(8) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal non-coplanar geometry to one V(5), one V(6), and one Al(7) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one V(6), one V(8), and one Al(7) atom. In the twentieth O site, O(20) is bonded in a 2-coordinate geometry to one V(6), one V(7), and one Al(7) atom. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to one V(7), one V(8), one Al(1), and one Al(2) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one V(7), one V(8), one Al(1), and one Al(3) atom. In the twenty-third O site, O(23) is bonded in a 4-coordinate geometry to one V(7), one V(8), one Al(7), and one Al(8) atom. In the twenty-fourth O site, O(24) is bonded in a 4-coordinate geometry to one V(6), one V(7), one V(8), and one Al(8) atom. is represented by the CIF file [CIF]
data_AlVO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.837
_cell_length_b   5.880
_cell_length_c   13.213
_cell_angle_alpha   102.846
_cell_angle_beta   102.685
_cell_angle_gamma   90.057
_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  0.008  0.989  0.008  1.0
  Al  Al1  1  0.301  0.380  0.079  1.0
  Al  Al2  1  0.782  0.381  0.079  1.0
  Al  Al3  1  0.658  0.016  0.323  1.0
  Al  Al4  1  0.461  0.377  0.416  1.0
  Al  Al5  1  0.256  0.739  0.508  1.0
  Al  Al6  1  0.135  0.367  0.756  1.0
  Al  Al7  1  0.925  0.755  0.830  1.0
  V  V8  1  0.127  0.380  0.251  1.0
  V  V9  1  0.126  0.868  0.251  1.0
  V  V10  1  0.959  0.378  0.415  1.0
  V  V11  1  0.794  0.371  0.581  1.0
  V  V12  1  0.794  0.885  0.581  1.0
  V  V13  1  0.625  0.366  0.756  1.0
  V  V14  1  0.461  0.872  0.919  1.0
  V  V15  1  0.461  0.372  0.918  1.0
  O  O16  1  0.538  0.600  0.071  1.0
  O  O17  1  0.538  0.185  0.071  1.0
  O  O18  1  0.045  0.604  0.084  1.0
  O  O19  1  0.044  0.146  0.083  1.0
  O  O20  1  0.873  0.141  0.238  1.0
  O  O21  1  0.363  0.144  0.238  1.0
  O  O22  1  0.906  0.611  0.260  1.0
  O  O23  1  0.357  0.594  0.272  1.0
  O  O24  1  0.218  0.614  0.422  1.0
  O  O25  1  0.222  0.119  0.421  1.0
  O  O26  1  0.699  0.140  0.409  1.0
  O  O27  1  0.696  0.635  0.410  1.0
  O  O28  1  0.012  0.145  0.570  1.0
  O  O29  1  0.562  0.160  0.560  1.0
  O  O30  1  0.553  0.616  0.589  1.0
  O  O31  1  0.045  0.610  0.594  1.0
  O  O32  1  0.892  0.614  0.750  1.0
  O  O33  1  0.892  0.136  0.750  1.0
  O  O34  1  0.371  0.140  0.764  1.0
  O  O35  1  0.371  0.567  0.764  1.0
  O  O36  1  0.200  0.126  0.916  1.0
  O  O37  1  0.714  0.118  0.921  1.0
  O  O38  1  0.210  0.617  0.922  1.0
  O  O39  1  0.723  0.621  0.919  1.0
[/CIF]
.
The material structure described by AlVO3 crystallizes in the triclinic P1 space group. There are eight inequivalent V sites. In the first V site, V(1) is bonded in a 4-coordinate geometry to one O(5), one O(6), one O(7), and one O(8) atom. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(16), one O(5), and one O(9) atom. In the fourth V site, V(4) is bonded in a 4-coordinate geometry to one O(13), one O(14), one O(15), and one O(16) atom. In the fifth V site, V(5) is bonded in a distorted octahedral geometry to one O(12), one O(13), one O(14), one O(15), one O(16), and one O(18) atom. In the sixth V site, V(6) is bonded in a 6-coordinate geometry to one O(14), one O(17), one O(18), one O(19), one O(20), and one O(24) atom. In the seventh V site, V(7) is bonded in a 6-coordinate geometry to one O(2), one O(20), one O(21), one O(22), one O(23), and one O(24) atom. In the eighth V site, V(8) is bonded in a 6-coordinate geometry to one O(1), one O(19), one O(21), one O(22), one O(23), and one O(24) atom. There are eight inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted single-bond geometry to one O(21), one O(22), and one O(4) atom. In the second Al site, Al(2) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(21), one O(3), and one O(4) atom. In the third Al site, Al(3) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(22), one O(3), one O(4), and one O(7) atom. In the fourth Al site, Al(4) is bonded in a distorted single-bond geometry to one O(11), one O(5), and one O(6) atom. In the fifth Al site, Al(5) is bonded in a 4-coordinate geometry to one O(10), one O(11), one O(12), one O(15), one O(6), and one O(9) atom. In the sixth Al site, Al(6) is bonded in a distorted single-bond geometry to one O(15), one O(16), and one O(9) atom. In the seventh Al site, Al(7) is bonded in a 6-coordinate geometry to one O(13), one O(17), one O(18), one O(19), one O(20), and one O(23) atom. In the eighth Al site, Al(8) is bonded in a distorted single-bond geometry to one O(17), one O(23), and one O(24) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(8), one Al(2), and one Al(3) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one V(7), one Al(2), and one Al(3) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one V(2), one Al(2), and one Al(3) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Al(1), one Al(2), and one Al(3) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one V(1), one V(2), one V(3), and one Al(4) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one V(1), one V(2), one Al(4), and one Al(5) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one V(1), one V(2), and one Al(3) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one V(1) and one V(2) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one V(3), one Al(5), and one Al(6) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one V(2), one V(3), and one Al(5) atom. In the eleventh O site, O(11) is bonded in a 1-coordinate geometry to one V(3), one Al(4), and one Al(5) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one V(3), one V(5), and one Al(5) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to one V(4), one V(5), and one Al(7) atom. In the fourteenth O site, O(14) is bonded in a 2-coordinate geometry to one V(4), one V(5), and one V(6) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one V(4), one V(5), one Al(5), and one Al(6) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one V(3), one V(4), one V(5), and one Al(6) atom. In the seventeenth O site, O(17) is bonded in a distorted single-bond geometry to one V(6), one Al(7), and one Al(8) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal non-coplanar geometry to one V(5), one V(6), and one Al(7) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one V(6), one V(8), and one Al(7) atom. In the twentieth O site, O(20) is bonded in a 2-coordinate geometry to one V(6), one V(7), and one Al(7) atom. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to one V(7), one V(8), one Al(1), and one Al(2) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one V(7), one V(8), one Al(1), and one Al(3) atom. In the twenty-third O site, O(23) is bonded in a 4-coordinate geometry to one V(7), one V(8), one Al(7), and one Al(8) atom. In the twenty-fourth O site, O(24) is bonded in a 4-coordinate geometry to one V(6), one V(7), one V(8), and one Al(8) atom. is represented by the CIF file [CIF]
data_AlVO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.837
_cell_length_b   5.880
_cell_length_c   13.213
_cell_angle_alpha   102.846
_cell_angle_beta   102.685
_cell_angle_gamma   90.057
_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  0.008  0.989  0.008  1.0
  Al  Al1  1  0.301  0.380  0.079  1.0
  Al  Al2  1  0.782  0.381  0.079  1.0
  Al  Al3  1  0.658  0.016  0.323  1.0
  Al  Al4  1  0.461  0.377  0.416  1.0
  Al  Al5  1  0.256  0.739  0.508  1.0
  Al  Al6  1  0.135  0.367  0.756  1.0
  Al  Al7  1  0.925  0.755  0.830  1.0
  V  V8  1  0.127  0.380  0.251  1.0
  V  V9  1  0.126  0.868  0.251  1.0
  V  V10  1  0.959  0.378  0.415  1.0
  V  V11  1  0.794  0.371  0.581  1.0
  V  V12  1  0.794  0.885  0.581  1.0
  V  V13  1  0.625  0.366  0.756  1.0
  V  V14  1  0.461  0.872  0.919  1.0
  V  V15  1  0.461  0.372  0.918  1.0
  O  O16  1  0.538  0.600  0.071  1.0
  O  O17  1  0.538  0.185  0.071  1.0
  O  O18  1  0.045  0.604  0.084  1.0
  O  O19  1  0.044  0.146  0.083  1.0
  O  O20  1  0.873  0.141  0.238  1.0
  O  O21  1  0.363  0.144  0.238  1.0
  O  O22  1  0.906  0.611  0.260  1.0
  O  O23  1  0.357  0.594  0.272  1.0
  O  O24  1  0.218  0.614  0.422  1.0
  O  O25  1  0.222  0.119  0.421  1.0
  O  O26  1  0.699  0.140  0.409  1.0
  O  O27  1  0.696  0.635  0.410  1.0
  O  O28  1  0.012  0.145  0.570  1.0
  O  O29  1  0.562  0.160  0.560  1.0
  O  O30  1  0.553  0.616  0.589  1.0
  O  O31  1  0.045  0.610  0.594  1.0
  O  O32  1  0.892  0.614  0.750  1.0
  O  O33  1  0.892  0.136  0.750  1.0
  O  O34  1  0.371  0.140  0.764  1.0
  O  O35  1  0.371  0.567  0.764  1.0
  O  O36  1  0.200  0.126  0.916  1.0
  O  O37  1  0.714  0.118  0.921  1.0
  O  O38  1  0.210  0.617  0.922  1.0
  O  O39  1  0.723  0.621  0.919  1.0
[/CIF]
.