The crystal structure described by LiMnO2 is Caswellsilverite-like structured and crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and three equivalent O(4) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, edges with three equivalent Mn(2)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-13°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), one O(4), and three equivalent O(2) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second Mn site, Mn(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and edges with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), two equivalent Li(2), 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(4)Li4Mn2 octahedra, edges with two equivalent O(3)Li2Mn4 octahedra, edges with four equivalent O(4)Li4Mn2 octahedra, and edges with six equivalent O(2)Li2Mn4 octahedra. The corner-sharing octahedral tilt angles range from 1-13°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Mn(2), and three equivalent Mn(1) atoms to form OLi2Mn4 octahedra that share corners with two equivalent O(2)Li2Mn4 octahedra, corners with two equivalent O(3)Li2Mn4 octahedra, corners with two equivalent O(4)Li4Mn2 octahedra, edges with two equivalent O(3)Li2Mn4 octahedra, edges with three equivalent O(2)Li2Mn4 octahedra, edges with three equivalent O(1)Li4Mn2 octahedra, and edges with four equivalent O(4)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the third O site, O(3) is bonded to two equivalent Li(1), two equivalent Mn(1), and two equivalent Mn(2) atoms to form OLi2Mn4 octahedra that share corners with two equivalent O(3)Li2Mn4 octahedra, corners with four equivalent O(2)Li2Mn4 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with four equivalent O(2)Li2Mn4 octahedra, and edges with six equivalent O(4)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-13°. In the fourth O site, O(4) is bonded to one Li(2), three equivalent Li(1), one Mn(1), and one Mn(2) atom to form OLi4Mn2 octahedra that share corners with two equivalent O(2)Li2Mn4 octahedra, corners with two equivalent O(1)Li4Mn2 octahedra, corners with two equivalent O(4)Li4Mn2 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with three equivalent O(3)Li2Mn4 octahedra, edges with three equivalent O(4)Li4Mn2 octahedra, and edges with four equivalent O(2)Li2Mn4 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. is represented by the CIF card [CIF]
data_LiMnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.298
_cell_length_b   5.918
_cell_length_c   8.722
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   221.836
_cell_formula_units_Z   6
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  0.000  0.870  0.834  1.0
  Li  Li1  1  0.000  0.870  0.166  1.0
  Li  Li2  1  0.000  0.377  0.500  1.0
  Li  Li3  1  0.500  0.623  0.000  1.0
  Li  Li4  1  0.500  0.130  0.334  1.0
  Li  Li5  1  0.500  0.130  0.666  1.0
  Mn  Mn6  1  0.000  0.369  0.829  1.0
  Mn  Mn7  1  0.000  0.907  0.500  1.0
  Mn  Mn8  1  0.000  0.369  0.171  1.0
  Mn  Mn9  1  0.500  0.631  0.329  1.0
  Mn  Mn10  1  0.500  0.631  0.671  1.0
  Mn  Mn11  1  0.500  0.093  0.000  1.0
  O  O12  1  0.000  0.580  0.000  1.0
  O  O13  1  0.000  0.624  0.327  1.0
  O  O14  1  0.000  0.624  0.673  1.0
  O  O15  1  0.000  0.134  0.000  1.0
  O  O16  1  0.000  0.140  0.329  1.0
  O  O17  1  0.000  0.140  0.671  1.0
  O  O18  1  0.500  0.860  0.829  1.0
  O  O19  1  0.500  0.866  0.500  1.0
  O  O20  1  0.500  0.860  0.171  1.0
  O  O21  1  0.500  0.420  0.500  1.0
  O  O22  1  0.500  0.376  0.827  1.0
  O  O23  1  0.500  0.376  0.173  1.0
[/CIF]
.
The crystal structure described by LiMnO2 is Caswellsilverite-like structured and crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and three equivalent O(4) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, edges with three equivalent Mn(2)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-13°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), one O(4), and three equivalent O(2) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second Mn site, Mn(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and edges with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), two equivalent Li(2), 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(4)Li4Mn2 octahedra, edges with two equivalent O(3)Li2Mn4 octahedra, edges with four equivalent O(4)Li4Mn2 octahedra, and edges with six equivalent O(2)Li2Mn4 octahedra. The corner-sharing octahedral tilt angles range from 1-13°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Mn(2), and three equivalent Mn(1) atoms to form OLi2Mn4 octahedra that share corners with two equivalent O(2)Li2Mn4 octahedra, corners with two equivalent O(3)Li2Mn4 octahedra, corners with two equivalent O(4)Li4Mn2 octahedra, edges with two equivalent O(3)Li2Mn4 octahedra, edges with three equivalent O(2)Li2Mn4 octahedra, edges with three equivalent O(1)Li4Mn2 octahedra, and edges with four equivalent O(4)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the third O site, O(3) is bonded to two equivalent Li(1), two equivalent Mn(1), and two equivalent Mn(2) atoms to form OLi2Mn4 octahedra that share corners with two equivalent O(3)Li2Mn4 octahedra, corners with four equivalent O(2)Li2Mn4 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with four equivalent O(2)Li2Mn4 octahedra, and edges with six equivalent O(4)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-13°. In the fourth O site, O(4) is bonded to one Li(2), three equivalent Li(1), one Mn(1), and one Mn(2) atom to form OLi4Mn2 octahedra that share corners with two equivalent O(2)Li2Mn4 octahedra, corners with two equivalent O(1)Li4Mn2 octahedra, corners with two equivalent O(4)Li4Mn2 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with three equivalent O(3)Li2Mn4 octahedra, edges with three equivalent O(4)Li4Mn2 octahedra, and edges with four equivalent O(2)Li2Mn4 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. is represented by the CIF card [CIF]
data_LiMnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.298
_cell_length_b   5.918
_cell_length_c   8.722
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   221.836
_cell_formula_units_Z   6
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  0.000  0.870  0.834  1.0
  Li  Li1  1  0.000  0.870  0.166  1.0
  Li  Li2  1  0.000  0.377  0.500  1.0
  Li  Li3  1  0.500  0.623  0.000  1.0
  Li  Li4  1  0.500  0.130  0.334  1.0
  Li  Li5  1  0.500  0.130  0.666  1.0
  Mn  Mn6  1  0.000  0.369  0.829  1.0
  Mn  Mn7  1  0.000  0.907  0.500  1.0
  Mn  Mn8  1  0.000  0.369  0.171  1.0
  Mn  Mn9  1  0.500  0.631  0.329  1.0
  Mn  Mn10  1  0.500  0.631  0.671  1.0
  Mn  Mn11  1  0.500  0.093  0.000  1.0
  O  O12  1  0.000  0.580  0.000  1.0
  O  O13  1  0.000  0.624  0.327  1.0
  O  O14  1  0.000  0.624  0.673  1.0
  O  O15  1  0.000  0.134  0.000  1.0
  O  O16  1  0.000  0.140  0.329  1.0
  O  O17  1  0.000  0.140  0.671  1.0
  O  O18  1  0.500  0.860  0.829  1.0
  O  O19  1  0.500  0.866  0.500  1.0
  O  O20  1  0.500  0.860  0.171  1.0
  O  O21  1  0.500  0.420  0.500  1.0
  O  O22  1  0.500  0.376  0.827  1.0
  O  O23  1  0.500  0.376  0.173  1.0
[/CIF]
.