The crystal structure described by VAl2O7 crystallizes in the monoclinic C2/m space group. V(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with two equivalent Al(2)O4 tetrahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 6-coordinate geometry to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. In the second Al site, Al(2) is bonded to one O(1), one O(2), and two equivalent O(5) atoms to form AlO4 tetrahedra that share corners with two equivalent V(1)O4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one Al(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one Al(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one Al(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to two equivalent Al(1) atoms. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Al(1) and one Al(2) atom. is represented by the CIF file [CIF]
data_Al2VO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.572
_cell_length_b   8.193
_cell_length_c   8.193
_cell_angle_alpha   63.178
_cell_angle_beta   71.085
_cell_angle_gamma   71.085
_symmetry_Int_Tables_number   1
_cell_volume   308.640
_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  0.500  0.792  0.208  1.0
  Al  Al1  1  0.500  0.208  0.792  1.0
  Al  Al2  1  0.932  0.809  0.809  1.0
  Al  Al3  1  0.068  0.191  0.191  1.0
  V  V4  1  0.580  0.653  0.653  1.0
  V  V5  1  0.420  0.347  0.347  1.0
  O  O6  1  0.272  0.751  0.751  1.0
  O  O7  1  0.728  0.249  0.249  1.0
  O  O8  1  0.815  0.708  0.708  1.0
  O  O9  1  0.185  0.292  0.292  1.0
  O  O10  1  0.613  0.413  0.740  1.0
  O  O11  1  0.613  0.740  0.413  1.0
  O  O12  1  0.387  0.587  0.260  1.0
  O  O13  1  0.387  0.260  0.587  1.0
  O  O14  1  0.521  0.072  0.072  1.0
  O  O15  1  0.479  0.928  0.928  1.0
  O  O16  1  0.815  0.738  0.055  1.0
  O  O17  1  0.815  0.055  0.738  1.0
  O  O18  1  0.185  0.262  0.945  1.0
  O  O19  1  0.185  0.945  0.262  1.0
[/CIF]
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The crystal structure described by VAl2O7 crystallizes in the monoclinic C2/m space group. V(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with two equivalent Al(2)O4 tetrahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 6-coordinate geometry to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. In the second Al site, Al(2) is bonded to one O(1), one O(2), and two equivalent O(5) atoms to form AlO4 tetrahedra that share corners with two equivalent V(1)O4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one Al(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one Al(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one Al(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to two equivalent Al(1) atoms. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Al(1) and one Al(2) atom. is represented by the CIF file [CIF]
data_Al2VO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.572
_cell_length_b   8.193
_cell_length_c   8.193
_cell_angle_alpha   63.178
_cell_angle_beta   71.085
_cell_angle_gamma   71.085
_symmetry_Int_Tables_number   1
_cell_volume   308.640
_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  0.500  0.792  0.208  1.0
  Al  Al1  1  0.500  0.208  0.792  1.0
  Al  Al2  1  0.932  0.809  0.809  1.0
  Al  Al3  1  0.068  0.191  0.191  1.0
  V  V4  1  0.580  0.653  0.653  1.0
  V  V5  1  0.420  0.347  0.347  1.0
  O  O6  1  0.272  0.751  0.751  1.0
  O  O7  1  0.728  0.249  0.249  1.0
  O  O8  1  0.815  0.708  0.708  1.0
  O  O9  1  0.185  0.292  0.292  1.0
  O  O10  1  0.613  0.413  0.740  1.0
  O  O11  1  0.613  0.740  0.413  1.0
  O  O12  1  0.387  0.587  0.260  1.0
  O  O13  1  0.387  0.260  0.587  1.0
  O  O14  1  0.521  0.072  0.072  1.0
  O  O15  1  0.479  0.928  0.928  1.0
  O  O16  1  0.815  0.738  0.055  1.0
  O  O17  1  0.815  0.055  0.738  1.0
  O  O18  1  0.185  0.262  0.945  1.0
  O  O19  1  0.185  0.945  0.262  1.0
[/CIF]
.