The structure described by LiMnO2 crystallizes in the orthorhombic Pmmn space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. Mn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Li(1) and two equivalent Mn(1) atoms to form OLi4Mn2 octahedra that share corners with two equivalent O(1)Li4Mn2 octahedra, corners with four equivalent O(2)Li2Mn4 octahedra, edges with six equivalent O(2)Li2Mn4 octahedra, and edges with six equivalent O(1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the second O site, O(2) is bonded to two equivalent Li(1) and four equivalent Mn(1) atoms to form OLi2Mn4 octahedra that share corners with two equivalent O(2)Li2Mn4 octahedra, corners with four equivalent O(1)Li4Mn2 octahedra, edges with six equivalent O(2)Li2Mn4 octahedra, and edges with six equivalent O(1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-11°. is represented by the CIF file [CIF]
data_LiMnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.807
_cell_length_b   4.603
_cell_length_c   5.702
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   73.666
_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  0.750  0.750  0.881  1.0
  Li  Li1  1  0.250  0.250  0.119  1.0
  Mn  Mn2  1  0.750  0.750  0.363  1.0
  Mn  Mn3  1  0.250  0.250  0.637  1.0
  O  O4  1  0.750  0.250  0.862  1.0
  O  O5  1  0.250  0.750  0.599  1.0
  O  O6  1  0.750  0.250  0.401  1.0
  O  O7  1  0.250  0.750  0.138  1.0
[/CIF]
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The structure described by LiMnO2 crystallizes in the orthorhombic Pmmn space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. Mn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Li(1) and two equivalent Mn(1) atoms to form OLi4Mn2 octahedra that share corners with two equivalent O(1)Li4Mn2 octahedra, corners with four equivalent O(2)Li2Mn4 octahedra, edges with six equivalent O(2)Li2Mn4 octahedra, and edges with six equivalent O(1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the second O site, O(2) is bonded to two equivalent Li(1) and four equivalent Mn(1) atoms to form OLi2Mn4 octahedra that share corners with two equivalent O(2)Li2Mn4 octahedra, corners with four equivalent O(1)Li4Mn2 octahedra, edges with six equivalent O(2)Li2Mn4 octahedra, and edges with six equivalent O(1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-11°. is represented by the CIF file [CIF]
data_LiMnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.807
_cell_length_b   4.603
_cell_length_c   5.702
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   73.666
_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  0.750  0.750  0.881  1.0
  Li  Li1  1  0.250  0.250  0.119  1.0
  Mn  Mn2  1  0.750  0.750  0.363  1.0
  Mn  Mn3  1  0.250  0.250  0.637  1.0
  O  O4  1  0.750  0.250  0.862  1.0
  O  O5  1  0.250  0.750  0.599  1.0
  O  O6  1  0.750  0.250  0.401  1.0
  O  O7  1  0.250  0.750  0.138  1.0
[/CIF]
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