The compound described by WAlO3 crystallizes in the hexagonal P6_3cm space group. W(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form distorted WO5 trigonal bipyramids that share corners with four equivalent Al(1)O6 octahedra, corners with two equivalent Al(2)O4 tetrahedra, and corners with six equivalent W(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 59-62°. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form distorted AlO6 octahedra that share corners with three equivalent Al(2)O4 tetrahedra, corners with six equivalent W(1)O5 trigonal bipyramids, and edges with three equivalent Al(1)O6 octahedra. In the second Al site, Al(2) is bonded to one O(2) and three equivalent O(4) atoms to form AlO4 tetrahedra that share corners with six equivalent Al(1)O6 octahedra and corners with six equivalent W(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 72°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to three equivalent W(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent W(1) and one Al(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one W(1) and two equivalent Al(1) atoms. In the fourth O site, O(4) is bonded to one W(1), one Al(2), and two equivalent Al(1) atoms to form corner-sharing OAl3W tetrahedra. is represented by the CIF card [CIF]
data_AlWO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.604
_cell_length_b   5.604
_cell_length_c   11.994
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   326.176
_cell_formula_units_Z   6
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  0.667  0.333  0.263  1.0
  Al  Al1  1  0.333  0.667  0.763  1.0
  Al  Al2  1  0.667  0.333  0.763  1.0
  Al  Al3  1  0.333  0.667  0.263  1.0
  Al  Al4  1  0.000  0.000  0.733  1.0
  Al  Al5  1  0.000  0.000  0.233  1.0
  W  W6  1  0.706  0.000  0.500  1.0
  W  W7  1  0.706  0.706  0.000  1.0
  W  W8  1  0.000  0.294  0.000  1.0
  W  W9  1  0.000  0.706  0.500  1.0
  W  W10  1  0.294  0.294  0.500  1.0
  W  W11  1  0.294  0.000  0.000  1.0
  O  O12  1  0.667  0.333  0.034  1.0
  O  O13  1  0.333  0.667  0.534  1.0
  O  O14  1  0.667  0.333  0.534  1.0
  O  O15  1  0.333  0.667  0.034  1.0
  O  O16  1  0.000  0.000  0.890  1.0
  O  O17  1  0.000  0.000  0.390  1.0
  O  O18  1  0.433  0.000  0.839  1.0
  O  O19  1  0.433  0.433  0.339  1.0
  O  O20  1  0.000  0.567  0.339  1.0
  O  O21  1  0.000  0.433  0.839  1.0
  O  O22  1  0.567  0.567  0.839  1.0
  O  O23  1  0.567  0.000  0.339  1.0
  O  O24  1  0.306  0.000  0.181  1.0
  O  O25  1  0.306  0.306  0.681  1.0
  O  O26  1  0.000  0.694  0.681  1.0
  O  O27  1  0.000  0.306  0.181  1.0
  O  O28  1  0.694  0.694  0.181  1.0
  O  O29  1  0.694  0.000  0.681  1.0
[/CIF]
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The compound described by WAlO3 crystallizes in the hexagonal P6_3cm space group. W(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form distorted WO5 trigonal bipyramids that share corners with four equivalent Al(1)O6 octahedra, corners with two equivalent Al(2)O4 tetrahedra, and corners with six equivalent W(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 59-62°. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form distorted AlO6 octahedra that share corners with three equivalent Al(2)O4 tetrahedra, corners with six equivalent W(1)O5 trigonal bipyramids, and edges with three equivalent Al(1)O6 octahedra. In the second Al site, Al(2) is bonded to one O(2) and three equivalent O(4) atoms to form AlO4 tetrahedra that share corners with six equivalent Al(1)O6 octahedra and corners with six equivalent W(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 72°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to three equivalent W(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent W(1) and one Al(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one W(1) and two equivalent Al(1) atoms. In the fourth O site, O(4) is bonded to one W(1), one Al(2), and two equivalent Al(1) atoms to form corner-sharing OAl3W tetrahedra. is represented by the CIF card [CIF]
data_AlWO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.604
_cell_length_b   5.604
_cell_length_c   11.994
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   326.176
_cell_formula_units_Z   6
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  0.667  0.333  0.263  1.0
  Al  Al1  1  0.333  0.667  0.763  1.0
  Al  Al2  1  0.667  0.333  0.763  1.0
  Al  Al3  1  0.333  0.667  0.263  1.0
  Al  Al4  1  0.000  0.000  0.733  1.0
  Al  Al5  1  0.000  0.000  0.233  1.0
  W  W6  1  0.706  0.000  0.500  1.0
  W  W7  1  0.706  0.706  0.000  1.0
  W  W8  1  0.000  0.294  0.000  1.0
  W  W9  1  0.000  0.706  0.500  1.0
  W  W10  1  0.294  0.294  0.500  1.0
  W  W11  1  0.294  0.000  0.000  1.0
  O  O12  1  0.667  0.333  0.034  1.0
  O  O13  1  0.333  0.667  0.534  1.0
  O  O14  1  0.667  0.333  0.534  1.0
  O  O15  1  0.333  0.667  0.034  1.0
  O  O16  1  0.000  0.000  0.890  1.0
  O  O17  1  0.000  0.000  0.390  1.0
  O  O18  1  0.433  0.000  0.839  1.0
  O  O19  1  0.433  0.433  0.339  1.0
  O  O20  1  0.000  0.567  0.339  1.0
  O  O21  1  0.000  0.433  0.839  1.0
  O  O22  1  0.567  0.567  0.839  1.0
  O  O23  1  0.567  0.000  0.339  1.0
  O  O24  1  0.306  0.000  0.181  1.0
  O  O25  1  0.306  0.306  0.681  1.0
  O  O26  1  0.000  0.694  0.681  1.0
  O  O27  1  0.000  0.306  0.181  1.0
  O  O28  1  0.694  0.694  0.181  1.0
  O  O29  1  0.694  0.000  0.681  1.0
[/CIF]
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