The crystal structure described by LiAl2(HO2)2 crystallizes in the monoclinic Cm space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(3) and two equivalent O(4) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 21°. In the second Al site, Al(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 22°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Al(1) and two equivalent Al(2) atoms to form a mixture of corner and edge-sharing OAl4 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Al(1) and two equivalent Al(2) atoms to form a mixture of corner and edge-sharing OAl4 trigonal pyramids. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Li(1), two equivalent Al(1), and one H(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Li(1), two equivalent Al(2), and one H(2) atom. is represented by the CIF file [CIF]
data_LiAl2(HO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.963
_cell_length_b   7.963
_cell_length_c   3.752
_cell_angle_alpha   103.530
_cell_angle_beta   103.530
_cell_angle_gamma   20.731
_symmetry_Int_Tables_number   1
_cell_volume   81.783
_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
  Li  Li0  1  0.506  0.506  0.778  1.0
  Al  Al1  1  0.699  0.699  0.184  1.0
  Al  Al2  1  0.310  0.310  0.794  1.0
  H  H3  1  0.076  0.076  0.279  1.0
  H  H4  1  0.933  0.933  0.133  1.0
  O  O5  1  0.286  0.286  0.271  1.0
  O  O6  1  0.723  0.723  0.708  1.0
  O  O7  1  0.115  0.115  0.094  1.0
  O  O8  1  0.894  0.894  0.872  1.0
[/CIF]
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The crystal structure described by LiAl2(HO2)2 crystallizes in the monoclinic Cm space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(3) and two equivalent O(4) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 21°. In the second Al site, Al(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 22°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Al(1) and two equivalent Al(2) atoms to form a mixture of corner and edge-sharing OAl4 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Al(1) and two equivalent Al(2) atoms to form a mixture of corner and edge-sharing OAl4 trigonal pyramids. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Li(1), two equivalent Al(1), and one H(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Li(1), two equivalent Al(2), and one H(2) atom. is represented by the CIF file [CIF]
data_LiAl2(HO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.963
_cell_length_b   7.963
_cell_length_c   3.752
_cell_angle_alpha   103.530
_cell_angle_beta   103.530
_cell_angle_gamma   20.731
_symmetry_Int_Tables_number   1
_cell_volume   81.783
_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
  Li  Li0  1  0.506  0.506  0.778  1.0
  Al  Al1  1  0.699  0.699  0.184  1.0
  Al  Al2  1  0.310  0.310  0.794  1.0
  H  H3  1  0.076  0.076  0.279  1.0
  H  H4  1  0.933  0.933  0.133  1.0
  O  O5  1  0.286  0.286  0.271  1.0
  O  O6  1  0.723  0.723  0.708  1.0
  O  O7  1  0.115  0.115  0.094  1.0
  O  O8  1  0.894  0.894  0.872  1.0
[/CIF]
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