The material described by LiMnO2 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(2) and three equivalent O(1) atoms to form distorted LiO4 tetrahedra that share corners with six equivalent Mn(1)O6 octahedra, corners with six equivalent Li(1)O4 tetrahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-66°. Mn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted MnO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with six equivalent Mn(1)O6 octahedra, and edges with three equivalent Li(1)O4 tetrahedra. 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 distorted OLi3Mn3 octahedra that share corners with six equivalent O(2)LiMn3 tetrahedra, edges with six equivalent O(1)Li3Mn3 octahedra, and edges with three equivalent O(2)LiMn3 tetrahedra. In the second O site, O(2) is bonded to one Li(1) and three equivalent Mn(1) atoms to form distorted OLiMn3 tetrahedra that share corners with six equivalent O(1)Li3Mn3 octahedra, corners with six equivalent O(2)LiMn3 tetrahedra, and edges with three equivalent O(1)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 3-62°. is represented by the CIF card [CIF]
data_LiMnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.816
_cell_length_b   3.111
_cell_length_c   5.066
_cell_angle_alpha   93.255
_cell_angle_beta   90.094
_cell_angle_gamma   116.642
_symmetry_Int_Tables_number   1
_cell_volume   39.582
_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  0.675  0.350  0.584  1.0
  Mn  Mn1  1  0.983  0.968  0.024  1.0
  O  O2  1  0.365  0.731  0.783  1.0
  O  O3  1  0.644  0.284  0.217  1.0
[/CIF]
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The material described by LiMnO2 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(2) and three equivalent O(1) atoms to form distorted LiO4 tetrahedra that share corners with six equivalent Mn(1)O6 octahedra, corners with six equivalent Li(1)O4 tetrahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-66°. Mn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted MnO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with six equivalent Mn(1)O6 octahedra, and edges with three equivalent Li(1)O4 tetrahedra. 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 distorted OLi3Mn3 octahedra that share corners with six equivalent O(2)LiMn3 tetrahedra, edges with six equivalent O(1)Li3Mn3 octahedra, and edges with three equivalent O(2)LiMn3 tetrahedra. In the second O site, O(2) is bonded to one Li(1) and three equivalent Mn(1) atoms to form distorted OLiMn3 tetrahedra that share corners with six equivalent O(1)Li3Mn3 octahedra, corners with six equivalent O(2)LiMn3 tetrahedra, and edges with three equivalent O(1)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 3-62°. is represented by the CIF card [CIF]
data_LiMnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.816
_cell_length_b   3.111
_cell_length_c   5.066
_cell_angle_alpha   93.255
_cell_angle_beta   90.094
_cell_angle_gamma   116.642
_symmetry_Int_Tables_number   1
_cell_volume   39.582
_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  0.675  0.350  0.584  1.0
  Mn  Mn1  1  0.983  0.968  0.024  1.0
  O  O2  1  0.365  0.731  0.783  1.0
  O  O3  1  0.644  0.284  0.217  1.0
[/CIF]
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