The structure described by LiMnO2 is High Pressure (4-7GPa) Tellurium-derived structured and crystallizes in the orthorhombic P2_12_12 space group. Li(1) is bonded to six equivalent O(1) atoms to form LiO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra, corners with eight equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and faces with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. Mn(1) is bonded to six equivalent O(1) atoms to form distorted MnO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with eight equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and faces with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-48°. O(1) is bonded in a 6-coordinate geometry to three equivalent Li(1) and three equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.837
_cell_length_b   5.147
_cell_length_c   5.215
_cell_angle_alpha   89.998
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   76.168
_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  Li0  1  0.500  0.000  0.500  1.0
  Li  Li1  1  1.000  0.500  1.000  1.0
  Mn  Mn2  1  0.499  0.500  0.500  1.0
  Mn  Mn3  1  0.001  0.000  0.000  1.0
  O  O4  1  0.998  0.288  0.348  1.0
  O  O5  1  0.502  0.212  0.848  1.0
  O  O6  1  0.998  0.712  0.652  1.0
  O  O7  1  0.502  0.788  0.152  1.0
[/CIF]
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The structure described by LiMnO2 is High Pressure (4-7GPa) Tellurium-derived structured and crystallizes in the orthorhombic P2_12_12 space group. Li(1) is bonded to six equivalent O(1) atoms to form LiO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra, corners with eight equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and faces with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. Mn(1) is bonded to six equivalent O(1) atoms to form distorted MnO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with eight equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and faces with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-48°. O(1) is bonded in a 6-coordinate geometry to three equivalent Li(1) and three equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.837
_cell_length_b   5.147
_cell_length_c   5.215
_cell_angle_alpha   89.998
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   76.168
_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  Li0  1  0.500  0.000  0.500  1.0
  Li  Li1  1  1.000  0.500  1.000  1.0
  Mn  Mn2  1  0.499  0.500  0.500  1.0
  Mn  Mn3  1  0.001  0.000  0.000  1.0
  O  O4  1  0.998  0.288  0.348  1.0
  O  O5  1  0.502  0.212  0.848  1.0
  O  O6  1  0.998  0.712  0.652  1.0
  O  O7  1  0.502  0.788  0.152  1.0
[/CIF]
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