The crystal structure described by LiMnO2 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to four equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share corners with eight equivalent Mn(1)O6 octahedra, corners with four equivalent Li(1)O4 trigonal pyramids, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-73°. Mn(1) is bonded to six equivalent O(1) atoms to form MnO6 octahedra that share corners with eight equivalent Li(1)O4 trigonal pyramids, edges with six equivalent Mn(1)O6 octahedra, and edges with two equivalent Li(1)O4 trigonal pyramids. O(1) is bonded to two equivalent Li(1) and three equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing OLi2Mn3 trigonal bipyramids. is represented by the CIF file [CIF]
data_LiMnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.942
_cell_length_b   2.942
_cell_length_c   10.184
_cell_angle_alpha   94.750
_cell_angle_beta   94.740
_cell_angle_gamma   114.746
_symmetry_Int_Tables_number   1
_cell_volume   79.085
_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  0.844  0.529  0.248  1.0
  Li  Li1  1  0.529  0.844  0.748  1.0
  Mn  Mn2  1  0.687  0.188  0.498  1.0
  Mn  Mn3  1  0.188  0.687  0.998  1.0
  O  O4  1  0.521  0.381  0.885  1.0
  O  O5  1  0.381  0.521  0.385  1.0
  O  O6  1  0.855  0.993  0.110  1.0
  O  O7  1  0.993  0.855  0.610  1.0
[/CIF]
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The crystal structure described by LiMnO2 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to four equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share corners with eight equivalent Mn(1)O6 octahedra, corners with four equivalent Li(1)O4 trigonal pyramids, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-73°. Mn(1) is bonded to six equivalent O(1) atoms to form MnO6 octahedra that share corners with eight equivalent Li(1)O4 trigonal pyramids, edges with six equivalent Mn(1)O6 octahedra, and edges with two equivalent Li(1)O4 trigonal pyramids. O(1) is bonded to two equivalent Li(1) and three equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing OLi2Mn3 trigonal bipyramids. is represented by the CIF file [CIF]
data_LiMnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.942
_cell_length_b   2.942
_cell_length_c   10.184
_cell_angle_alpha   94.750
_cell_angle_beta   94.740
_cell_angle_gamma   114.746
_symmetry_Int_Tables_number   1
_cell_volume   79.085
_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  0.844  0.529  0.248  1.0
  Li  Li1  1  0.529  0.844  0.748  1.0
  Mn  Mn2  1  0.687  0.188  0.498  1.0
  Mn  Mn3  1  0.188  0.687  0.998  1.0
  O  O4  1  0.521  0.381  0.885  1.0
  O  O5  1  0.381  0.521  0.385  1.0
  O  O6  1  0.855  0.993  0.110  1.0
  O  O7  1  0.993  0.855  0.610  1.0
[/CIF]
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