The compound described by Li2MnO2 crystallizes in the trigonal P-3m1 space group. Li(1) is bonded to four equivalent O(1) atoms to form LiO4 tetrahedra that share corners with six equivalent Mn(1)O6 octahedra, corners with six equivalent Li(1)O4 tetrahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-55°. Mn(1) is bonded to six equivalent O(1) atoms to form MnO6 octahedra that share corners with twelve equivalent Li(1)O4 tetrahedra, edges with six equivalent Mn(1)O6 octahedra, and edges with six equivalent Li(1)O4 tetrahedra. O(1) is bonded in a 7-coordinate geometry to four equivalent Li(1) and three equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.174
_cell_length_b   3.174
_cell_length_c   5.234
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   45.646
_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  0.667  0.333  0.369  1.0
  Li  Li1  1  0.333  0.667  0.631  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.333  0.667  0.247  1.0
  O  O4  1  0.667  0.333  0.753  1.0
[/CIF]
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The compound described by Li2MnO2 crystallizes in the trigonal P-3m1 space group. Li(1) is bonded to four equivalent O(1) atoms to form LiO4 tetrahedra that share corners with six equivalent Mn(1)O6 octahedra, corners with six equivalent Li(1)O4 tetrahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-55°. Mn(1) is bonded to six equivalent O(1) atoms to form MnO6 octahedra that share corners with twelve equivalent Li(1)O4 tetrahedra, edges with six equivalent Mn(1)O6 octahedra, and edges with six equivalent Li(1)O4 tetrahedra. O(1) is bonded in a 7-coordinate geometry to four equivalent Li(1) and three equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.174
_cell_length_b   3.174
_cell_length_c   5.234
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   45.646
_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  0.667  0.333  0.369  1.0
  Li  Li1  1  0.333  0.667  0.631  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.333  0.667  0.247  1.0
  O  O4  1  0.667  0.333  0.753  1.0
[/CIF]
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