The material described by LiMnO2 is High Pressure (4-7GPa) Tellurium-derived structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form LiO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with five equivalent Mn(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, edges with five equivalent Mn(1)O6 octahedra, and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-47°. Mn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra, corners with five equivalent Li(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, edges with five equivalent Li(1)O6 octahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-49°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to three equivalent Li(1) and three equivalent Mn(1) atoms. In the second O site, O(2) is bonded to three equivalent Li(1) and three equivalent Mn(1) atoms to form edge-sharing OLi3Mn3 octahedra. is represented by the CIF file [CIF]
data_LiMnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.817
_cell_length_b   5.198
_cell_length_c   9.889
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   144.769
_cell_formula_units_Z   4
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  0.250  0.103  0.605  1.0
  Li  Li1  1  0.750  0.897  0.395  1.0
  Li  Li2  1  0.250  0.397  0.105  1.0
  Li  Li3  1  0.750  0.603  0.895  1.0
  Mn  Mn4  1  0.750  0.607  0.632  1.0
  Mn  Mn5  1  0.250  0.393  0.368  1.0
  Mn  Mn6  1  0.250  0.107  0.868  1.0
  Mn  Mn7  1  0.750  0.893  0.132  1.0
  O  O8  1  0.250  0.452  0.738  1.0
  O  O9  1  0.750  0.548  0.262  1.0
  O  O10  1  0.750  0.952  0.762  1.0
  O  O11  1  0.250  0.048  0.238  1.0
  O  O12  1  0.250  0.747  0.520  1.0
  O  O13  1  0.750  0.253  0.480  1.0
  O  O14  1  0.250  0.753  0.020  1.0
  O  O15  1  0.750  0.247  0.980  1.0
[/CIF]
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The material described by LiMnO2 is High Pressure (4-7GPa) Tellurium-derived structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form LiO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with five equivalent Mn(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, edges with five equivalent Mn(1)O6 octahedra, and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-47°. Mn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra, corners with five equivalent Li(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, edges with five equivalent Li(1)O6 octahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-49°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to three equivalent Li(1) and three equivalent Mn(1) atoms. In the second O site, O(2) is bonded to three equivalent Li(1) and three equivalent Mn(1) atoms to form edge-sharing OLi3Mn3 octahedra. is represented by the CIF file [CIF]
data_LiMnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.817
_cell_length_b   5.198
_cell_length_c   9.889
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   144.769
_cell_formula_units_Z   4
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  0.250  0.103  0.605  1.0
  Li  Li1  1  0.750  0.897  0.395  1.0
  Li  Li2  1  0.250  0.397  0.105  1.0
  Li  Li3  1  0.750  0.603  0.895  1.0
  Mn  Mn4  1  0.750  0.607  0.632  1.0
  Mn  Mn5  1  0.250  0.393  0.368  1.0
  Mn  Mn6  1  0.250  0.107  0.868  1.0
  Mn  Mn7  1  0.750  0.893  0.132  1.0
  O  O8  1  0.250  0.452  0.738  1.0
  O  O9  1  0.750  0.548  0.262  1.0
  O  O10  1  0.750  0.952  0.762  1.0
  O  O11  1  0.250  0.048  0.238  1.0
  O  O12  1  0.250  0.747  0.520  1.0
  O  O13  1  0.750  0.253  0.480  1.0
  O  O14  1  0.250  0.753  0.020  1.0
  O  O15  1  0.750  0.247  0.980  1.0
[/CIF]
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