The compound described by W5Al2O16 crystallizes in the tetragonal I4/mmm space group. There are three inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra are not tilted. In the second W site, W(2) is bonded to one O(1), one O(2), and four equivalent O(5) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the third W site, W(3) is bonded in a 6-coordinate geometry to one O(2), one O(3), and four equivalent O(6) atoms. Al(1) is bonded to two equivalent O(6) and four equivalent O(3) atoms to form a mixture of edge and corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 9°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one W(1) and one W(2) atom. In the second O site, O(2) is bonded in a linear geometry to one W(2) and one W(3) atom. In the third O site, O(3) is bonded in a distorted square co-planar geometry to one W(3) and four equivalent Al(1) atoms. In the fourth O site, O(4) is bonded in a linear geometry to two equivalent W(1) atoms. In the fifth O site, O(5) is bonded in a linear geometry to two equivalent W(2) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent W(3) and one Al(1) atom. is represented by the CIF card [CIF]
data_Al2W5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.814
_cell_length_b   20.814
_cell_length_c   20.814
_cell_angle_alpha   169.268
_cell_angle_beta   169.268
_cell_angle_gamma   15.200
_symmetry_Int_Tables_number   1
_cell_volume   312.664
_cell_formula_units_Z   1
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  0.250  0.750  0.500  1.0
  Al  Al1  1  0.750  0.250  0.500  1.0
  W  W2  1  0.000  0.000  0.000  1.0
  W  W3  1  0.908  0.908  0.000  1.0
  W  W4  1  0.092  0.092  0.000  1.0
  W  W5  1  0.811  0.811  0.000  1.0
  W  W6  1  0.189  0.189  0.000  1.0
  O  O7  1  0.952  0.952  0.000  1.0
  O  O8  1  0.048  0.048  0.000  1.0
  O  O9  1  0.856  0.856  0.000  1.0
  O  O10  1  0.144  0.144  0.000  1.0
  O  O11  1  0.754  0.754  0.000  1.0
  O  O12  1  0.246  0.246  0.000  1.0
  O  O13  1  0.000  0.500  0.500  1.0
  O  O14  1  0.500  0.000  0.500  1.0
  O  O15  1  0.904  0.404  0.500  1.0
  O  O16  1  0.404  0.904  0.500  1.0
  O  O17  1  0.096  0.596  0.500  1.0
  O  O18  1  0.596  0.096  0.500  1.0
  O  O19  1  0.795  0.295  0.500  1.0
  O  O20  1  0.295  0.795  0.500  1.0
  O  O21  1  0.205  0.705  0.500  1.0
  O  O22  1  0.705  0.205  0.500  1.0
[/CIF]
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The compound described by W5Al2O16 crystallizes in the tetragonal I4/mmm space group. There are three inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra are not tilted. In the second W site, W(2) is bonded to one O(1), one O(2), and four equivalent O(5) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the third W site, W(3) is bonded in a 6-coordinate geometry to one O(2), one O(3), and four equivalent O(6) atoms. Al(1) is bonded to two equivalent O(6) and four equivalent O(3) atoms to form a mixture of edge and corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 9°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one W(1) and one W(2) atom. In the second O site, O(2) is bonded in a linear geometry to one W(2) and one W(3) atom. In the third O site, O(3) is bonded in a distorted square co-planar geometry to one W(3) and four equivalent Al(1) atoms. In the fourth O site, O(4) is bonded in a linear geometry to two equivalent W(1) atoms. In the fifth O site, O(5) is bonded in a linear geometry to two equivalent W(2) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent W(3) and one Al(1) atom. is represented by the CIF card [CIF]
data_Al2W5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.814
_cell_length_b   20.814
_cell_length_c   20.814
_cell_angle_alpha   169.268
_cell_angle_beta   169.268
_cell_angle_gamma   15.200
_symmetry_Int_Tables_number   1
_cell_volume   312.664
_cell_formula_units_Z   1
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  0.250  0.750  0.500  1.0
  Al  Al1  1  0.750  0.250  0.500  1.0
  W  W2  1  0.000  0.000  0.000  1.0
  W  W3  1  0.908  0.908  0.000  1.0
  W  W4  1  0.092  0.092  0.000  1.0
  W  W5  1  0.811  0.811  0.000  1.0
  W  W6  1  0.189  0.189  0.000  1.0
  O  O7  1  0.952  0.952  0.000  1.0
  O  O8  1  0.048  0.048  0.000  1.0
  O  O9  1  0.856  0.856  0.000  1.0
  O  O10  1  0.144  0.144  0.000  1.0
  O  O11  1  0.754  0.754  0.000  1.0
  O  O12  1  0.246  0.246  0.000  1.0
  O  O13  1  0.000  0.500  0.500  1.0
  O  O14  1  0.500  0.000  0.500  1.0
  O  O15  1  0.904  0.404  0.500  1.0
  O  O16  1  0.404  0.904  0.500  1.0
  O  O17  1  0.096  0.596  0.500  1.0
  O  O18  1  0.596  0.096  0.500  1.0
  O  O19  1  0.795  0.295  0.500  1.0
  O  O20  1  0.295  0.795  0.500  1.0
  O  O21  1  0.205  0.705  0.500  1.0
  O  O22  1  0.705  0.205  0.500  1.0
[/CIF]
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