The compound described by LiMnO2 is Corundum-derived structured and crystallizes in the trigonal P3m1 space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(2) and three equivalent O(1) atoms. Mn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form edge-sharing MnO6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(1) and three equivalent Mn(1) atoms to form OLi3Mn3 octahedra that share corners with six equivalent O(2)LiMn3 trigonal pyramids, edges with six equivalent O(1)Li3Mn3 octahedra, and edges with three equivalent O(2)LiMn3 trigonal pyramids. In the second O site, O(2) is bonded to one Li(1) and three equivalent Mn(1) atoms to form distorted OLiMn3 trigonal pyramids that share corners with six equivalent O(1)Li3Mn3 octahedra, corners with six equivalent O(2)LiMn3 trigonal pyramids, and edges with three equivalent O(1)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 4-57°. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.873
_cell_length_b   2.873
_cell_length_c   5.143
_cell_angle_alpha   89.999
_cell_angle_beta   90.002
_cell_angle_gamma   120.034
_symmetry_Int_Tables_number   1
_cell_volume   36.764
_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  0.418  1.0
  Mn  Mn1  1  1.000  1.000  0.981  1.0
  O  O2  1  0.333  0.667  0.207  1.0
  O  O3  1  0.667  0.333  0.785  1.0
[/CIF]
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The compound described by LiMnO2 is Corundum-derived structured and crystallizes in the trigonal P3m1 space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(2) and three equivalent O(1) atoms. Mn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form edge-sharing MnO6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(1) and three equivalent Mn(1) atoms to form OLi3Mn3 octahedra that share corners with six equivalent O(2)LiMn3 trigonal pyramids, edges with six equivalent O(1)Li3Mn3 octahedra, and edges with three equivalent O(2)LiMn3 trigonal pyramids. In the second O site, O(2) is bonded to one Li(1) and three equivalent Mn(1) atoms to form distorted OLiMn3 trigonal pyramids that share corners with six equivalent O(1)Li3Mn3 octahedra, corners with six equivalent O(2)LiMn3 trigonal pyramids, and edges with three equivalent O(1)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 4-57°. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.873
_cell_length_b   2.873
_cell_length_c   5.143
_cell_angle_alpha   89.999
_cell_angle_beta   90.002
_cell_angle_gamma   120.034
_symmetry_Int_Tables_number   1
_cell_volume   36.764
_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  0.418  1.0
  Mn  Mn1  1  1.000  1.000  0.981  1.0
  O  O2  1  0.333  0.667  0.207  1.0
  O  O3  1  0.667  0.333  0.785  1.0
[/CIF]
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