The crystal structure described by Li2O is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to five equivalent O(1) atoms. In the second Li site, Li(2) is bonded to four equivalent O(1) atoms to form a mixture of corner and edge-sharing LiO4 tetrahedra. O(1) is bonded in a 9-coordinate geometry to four equivalent Li(2) and five equivalent Li(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.045
_cell_length_b   3.081
_cell_length_c   5.817
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   90.399
_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
  Li  Li0  1  0.012  0.250  0.159  1.0
  Li  Li1  1  0.141  0.250  0.580  1.0
  Li  Li2  1  0.359  0.750  0.080  1.0
  Li  Li3  1  0.488  0.750  0.659  1.0
  Li  Li4  1  0.512  0.250  0.341  1.0
  Li  Li5  1  0.641  0.250  0.920  1.0
  Li  Li6  1  0.859  0.750  0.420  1.0
  Li  Li7  1  0.988  0.750  0.841  1.0
  O  O8  1  0.246  0.750  0.400  1.0
  O  O9  1  0.254  0.250  0.900  1.0
  O  O10  1  0.746  0.750  0.100  1.0
  O  O11  1  0.754  0.250  0.600  1.0
[/CIF]
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The crystal structure described by Li2O is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to five equivalent O(1) atoms. In the second Li site, Li(2) is bonded to four equivalent O(1) atoms to form a mixture of corner and edge-sharing LiO4 tetrahedra. O(1) is bonded in a 9-coordinate geometry to four equivalent Li(2) and five equivalent Li(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.045
_cell_length_b   3.081
_cell_length_c   5.817
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   90.399
_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
  Li  Li0  1  0.012  0.250  0.159  1.0
  Li  Li1  1  0.141  0.250  0.580  1.0
  Li  Li2  1  0.359  0.750  0.080  1.0
  Li  Li3  1  0.488  0.750  0.659  1.0
  Li  Li4  1  0.512  0.250  0.341  1.0
  Li  Li5  1  0.641  0.250  0.920  1.0
  Li  Li6  1  0.859  0.750  0.420  1.0
  Li  Li7  1  0.988  0.750  0.841  1.0
  O  O8  1  0.246  0.750  0.400  1.0
  O  O9  1  0.254  0.250  0.900  1.0
  O  O10  1  0.746  0.750  0.100  1.0
  O  O11  1  0.754  0.250  0.600  1.0
[/CIF]
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