The material described by AlOOH crystallizes in the orthorhombic Pnma space group. Al(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of corner and edge-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 55°. H(1) is bonded in a distorted single-bond geometry to one O(1) and one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Al(1) and one H(1) atom to form distorted corner-sharing OAl3H tetrahedra. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Al(1) and one H(1) atom. is represented by the CIF card [CIF]
data_AlHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.386
_cell_length_b   9.387
_cell_length_c   2.838
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   116.846
_cell_formula_units_Z   4
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  0.451  0.357  0.250  1.0
  Al  Al1  1  0.049  0.857  0.250  1.0
  Al  Al2  1  0.549  0.643  0.750  1.0
  Al  Al3  1  0.951  0.143  0.750  1.0
  H  H4  1  0.089  0.591  0.250  1.0
  H  H5  1  0.411  0.091  0.250  1.0
  H  H6  1  0.911  0.409  0.750  1.0
  H  H7  1  0.589  0.909  0.750  1.0
  O  O8  1  0.795  0.698  0.250  1.0
  O  O9  1  0.705  0.198  0.250  1.0
  O  O10  1  0.205  0.302  0.750  1.0
  O  O11  1  0.295  0.802  0.750  1.0
  O  O12  1  0.304  0.555  0.250  1.0
  O  O13  1  0.196  0.055  0.250  1.0
  O  O14  1  0.696  0.445  0.750  1.0
  O  O15  1  0.804  0.945  0.750  1.0
[/CIF]
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The material described by AlOOH crystallizes in the orthorhombic Pnma space group. Al(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of corner and edge-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 55°. H(1) is bonded in a distorted single-bond geometry to one O(1) and one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Al(1) and one H(1) atom to form distorted corner-sharing OAl3H tetrahedra. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Al(1) and one H(1) atom. is represented by the CIF card [CIF]
data_AlHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.386
_cell_length_b   9.387
_cell_length_c   2.838
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   116.846
_cell_formula_units_Z   4
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  0.451  0.357  0.250  1.0
  Al  Al1  1  0.049  0.857  0.250  1.0
  Al  Al2  1  0.549  0.643  0.750  1.0
  Al  Al3  1  0.951  0.143  0.750  1.0
  H  H4  1  0.089  0.591  0.250  1.0
  H  H5  1  0.411  0.091  0.250  1.0
  H  H6  1  0.911  0.409  0.750  1.0
  H  H7  1  0.589  0.909  0.750  1.0
  O  O8  1  0.795  0.698  0.250  1.0
  O  O9  1  0.705  0.198  0.250  1.0
  O  O10  1  0.205  0.302  0.750  1.0
  O  O11  1  0.295  0.802  0.750  1.0
  O  O12  1  0.304  0.555  0.250  1.0
  O  O13  1  0.196  0.055  0.250  1.0
  O  O14  1  0.696  0.445  0.750  1.0
  O  O15  1  0.804  0.945  0.750  1.0
[/CIF]
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