The crystal structure described by KLi2O3 crystallizes in the monoclinic P2_1/m space group. K(1) is bonded in a 7-coordinate geometry to one O(1), three equivalent O(2), and three equivalent O(3) atoms. Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing LiO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one K(1) and four equivalent Li(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to three equivalent K(1) and two equivalent Li(1) atoms. In the third O site, O(3) is bonded in a 2-coordinate geometry to three equivalent K(1) and two equivalent Li(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KLi2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.363
_cell_length_b   5.880
_cell_length_c   5.182
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   123.671
_symmetry_Int_Tables_number   1
_cell_volume   161.346
_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
  K  K0  1  0.238  0.180  0.750  1.0
  K  K1  1  0.762  0.820  0.250  1.0
  Li  Li2  1  0.205  0.679  0.494  1.0
  Li  Li3  1  0.795  0.321  0.994  1.0
  Li  Li4  1  0.795  0.321  0.506  1.0
  Li  Li5  1  0.205  0.679  0.006  1.0
  O  O6  1  0.037  0.387  0.250  1.0
  O  O7  1  0.963  0.613  0.750  1.0
  O  O8  1  0.319  0.988  0.250  1.0
  O  O9  1  0.681  0.012  0.750  1.0
  O  O10  1  0.470  0.745  0.750  1.0
  O  O11  1  0.530  0.255  0.250  1.0
[/CIF]
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The crystal structure described by KLi2O3 crystallizes in the monoclinic P2_1/m space group. K(1) is bonded in a 7-coordinate geometry to one O(1), three equivalent O(2), and three equivalent O(3) atoms. Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing LiO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one K(1) and four equivalent Li(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to three equivalent K(1) and two equivalent Li(1) atoms. In the third O site, O(3) is bonded in a 2-coordinate geometry to three equivalent K(1) and two equivalent Li(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KLi2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.363
_cell_length_b   5.880
_cell_length_c   5.182
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   123.671
_symmetry_Int_Tables_number   1
_cell_volume   161.346
_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
  K  K0  1  0.238  0.180  0.750  1.0
  K  K1  1  0.762  0.820  0.250  1.0
  Li  Li2  1  0.205  0.679  0.494  1.0
  Li  Li3  1  0.795  0.321  0.994  1.0
  Li  Li4  1  0.795  0.321  0.506  1.0
  Li  Li5  1  0.205  0.679  0.006  1.0
  O  O6  1  0.037  0.387  0.250  1.0
  O  O7  1  0.963  0.613  0.750  1.0
  O  O8  1  0.319  0.988  0.250  1.0
  O  O9  1  0.681  0.012  0.750  1.0
  O  O10  1  0.470  0.745  0.750  1.0
  O  O11  1  0.530  0.255  0.250  1.0
[/CIF]
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