The compound described by HAl5O8 crystallizes in the hexagonal P6_3mc space group. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form AlO6 octahedra that share corners with two equivalent Al(2)O6 octahedra, corners with three equivalent Al(3)O4 tetrahedra,  an edgeedge with one Al(2)O6 octahedra, and edges with four equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the second Al site, Al(2) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form AlO6 octahedra that share corners with six equivalent Al(1)O6 octahedra, corners with three equivalent Al(3)O4 tetrahedra, and edges with three equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the third Al site, Al(3) is bonded to one O(4) and three equivalent O(2) atoms to form corner-sharing AlO4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-62°. H(1) is bonded in a single-bond geometry to one O(1) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Al(1) and one H(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Al(2), one Al(3), and two equivalent Al(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Al(2) and two equivalent Al(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal pyramidal geometry to one Al(3) and three equivalent Al(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al5HO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.571
_cell_length_b   5.571
_cell_length_c   8.750
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   235.175
_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  0.834  0.166  0.866  1.0
  Al  Al1  1  0.834  0.669  0.866  1.0
  Al  Al2  1  0.331  0.166  0.866  1.0
  Al  Al3  1  0.166  0.834  0.366  1.0
  Al  Al4  1  0.166  0.331  0.366  1.0
  Al  Al5  1  0.669  0.834  0.366  1.0
  Al  Al6  1  0.333  0.667  0.658  1.0
  Al  Al7  1  0.667  0.333  0.158  1.0
  Al  Al8  1  0.667  0.333  0.548  1.0
  Al  Al9  1  0.333  0.667  0.048  1.0
  H  H10  1  0.000  1.000  0.597  1.0
  H  H11  1  1.000  1.000  0.097  1.0
  O  O12  1  0.000  1.000  0.485  1.0
  O  O13  1  1.000  0.000  0.985  1.0
  O  O14  1  0.486  0.514  0.501  1.0
  O  O15  1  0.486  0.971  0.501  1.0
  O  O16  1  0.029  0.514  0.501  1.0
  O  O17  1  0.514  0.486  0.001  1.0
  O  O18  1  0.514  0.029  0.001  1.0
  O  O19  1  0.971  0.486  0.001  1.0
  O  O20  1  0.668  0.834  0.763  1.0
  O  O21  1  0.166  0.834  0.763  1.0
  O  O22  1  0.166  0.332  0.763  1.0
  O  O23  1  0.332  0.166  0.263  1.0
  O  O24  1  0.834  0.166  0.263  1.0
  O  O25  1  0.834  0.668  0.263  1.0
  O  O26  1  0.667  0.333  0.755  1.0
  O  O27  1  0.333  0.667  0.255  1.0
[/CIF]
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The compound described by HAl5O8 crystallizes in the hexagonal P6_3mc space group. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form AlO6 octahedra that share corners with two equivalent Al(2)O6 octahedra, corners with three equivalent Al(3)O4 tetrahedra,  an edgeedge with one Al(2)O6 octahedra, and edges with four equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the second Al site, Al(2) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form AlO6 octahedra that share corners with six equivalent Al(1)O6 octahedra, corners with three equivalent Al(3)O4 tetrahedra, and edges with three equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the third Al site, Al(3) is bonded to one O(4) and three equivalent O(2) atoms to form corner-sharing AlO4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-62°. H(1) is bonded in a single-bond geometry to one O(1) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Al(1) and one H(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Al(2), one Al(3), and two equivalent Al(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Al(2) and two equivalent Al(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal pyramidal geometry to one Al(3) and three equivalent Al(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al5HO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.571
_cell_length_b   5.571
_cell_length_c   8.750
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   235.175
_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  0.834  0.166  0.866  1.0
  Al  Al1  1  0.834  0.669  0.866  1.0
  Al  Al2  1  0.331  0.166  0.866  1.0
  Al  Al3  1  0.166  0.834  0.366  1.0
  Al  Al4  1  0.166  0.331  0.366  1.0
  Al  Al5  1  0.669  0.834  0.366  1.0
  Al  Al6  1  0.333  0.667  0.658  1.0
  Al  Al7  1  0.667  0.333  0.158  1.0
  Al  Al8  1  0.667  0.333  0.548  1.0
  Al  Al9  1  0.333  0.667  0.048  1.0
  H  H10  1  0.000  1.000  0.597  1.0
  H  H11  1  1.000  1.000  0.097  1.0
  O  O12  1  0.000  1.000  0.485  1.0
  O  O13  1  1.000  0.000  0.985  1.0
  O  O14  1  0.486  0.514  0.501  1.0
  O  O15  1  0.486  0.971  0.501  1.0
  O  O16  1  0.029  0.514  0.501  1.0
  O  O17  1  0.514  0.486  0.001  1.0
  O  O18  1  0.514  0.029  0.001  1.0
  O  O19  1  0.971  0.486  0.001  1.0
  O  O20  1  0.668  0.834  0.763  1.0
  O  O21  1  0.166  0.834  0.763  1.0
  O  O22  1  0.166  0.332  0.763  1.0
  O  O23  1  0.332  0.166  0.263  1.0
  O  O24  1  0.834  0.166  0.263  1.0
  O  O25  1  0.834  0.668  0.263  1.0
  O  O26  1  0.667  0.333  0.755  1.0
  O  O27  1  0.333  0.667  0.255  1.0
[/CIF]
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