data_LiHO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.6
_cell_length_b   3.6
_cell_length_c   4.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHO
_chemical_formula_sum   'Li2 H2 O2'
_cell_volume   52.92
_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
  Li  Li2  1  0.0  0.0  0.0  1.0
  Li  Li3  1  0.8  0.8  0.0  1.0
  H  H0  1  0.0  0.8  0.81  1.0
  H  H1  1  0.8  0.0  0.27  1.0
  O  O4  1  0.0  0.8  0.84  1.0
  O  O5  1  0.8  0.0  0.25  1.0

data_LiHO
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   4.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiHO
_chemical_formula_sum   'Li4 H4 O4'
_cell_volume   105.84
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.4  0.4  0.0  1.0
  H  H1  2  0.0  0.0  0.81  1.0
  H  H2  2  0.3  0.5  0.27  1.0
  O  O3  2  0.0  0.0  0.84  1.0
  O  O4  2  0.3  0.5  0.25  1.0

Li Li H H O O
LiOH is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two LiOH clusters. Li(1) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(2) atom. The Li(1)-O(1) bond length is 0.98 Å. The Li(1)-O(2) bond length is 1.23 Å. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. The H(1)-O(1) bond length is 0.10 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. The H(2)-O(2) bond length is 0.10 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Li(1) and one H(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Li(1) and one H(2) atom.