The structure described by LiMn2O3 is Caswellsilverite-like structured and crystallizes in the monoclinic Cc 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), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with three equivalent Mn(2)O6 octahedra, and edges with three equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. There are six inequivalent O sites. In the first O site, O(5) is bonded to one Li(1), one Li(2), one Mn(1), one Mn(2), one Mn(3), and one Mn(4) atom to form a mixture of edge and corner-sharing OLi2Mn4 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the second O site, O(6) is bonded to one Li(1), one Li(2), one Mn(1), one Mn(2), one Mn(3), and one Mn(4) atom to form a mixture of edge and corner-sharing OLi2Mn4 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the third O site, O(1) is bonded to one Li(1), one Li(2), one Mn(1), one Mn(2), one Mn(3), and one Mn(4) atom to form a mixture of edge and corner-sharing OLi2Mn4 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the fourth O site, O(2) is bonded to one Li(1), one Li(2), one Mn(1), one Mn(2), one Mn(3), and one Mn(4) atom to form a mixture of edge and corner-sharing OLi2Mn4 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the fifth O site, O(3) is bonded to one Li(1), one Li(2), one Mn(1), one Mn(2), one Mn(3), and one Mn(4) atom to form a mixture of edge and corner-sharing OLi2Mn4 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the sixth O site, O(4) is bonded to one Li(1), one Li(2), one Mn(1), one Mn(2), one Mn(3), and one Mn(4) atom to form a mixture of edge and corner-sharing OLi2Mn4 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. is represented by the CIF card [CIF]
data_LiMn2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.251
_cell_length_b   5.251
_cell_length_c   10.139
_cell_angle_alpha   86.015
_cell_angle_beta   93.981
_cell_angle_gamma   62.884
_symmetry_Int_Tables_number   1
_cell_volume   246.630
_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  0.430  0.430  0.749  1.0
  Li  Li1  1  0.570  0.570  0.249  1.0
  Li  Li2  1  0.745  0.754  0.750  1.0
  Li  Li3  1  0.246  0.255  0.250  1.0
  Mn  Mn4  1  0.006  0.501  0.502  1.0
  Mn  Mn5  1  0.499  0.994  0.002  1.0
  Mn  Mn6  1  0.666  0.171  0.500  1.0
  Mn  Mn7  1  0.829  0.334  0.001  1.0
  Mn  Mn8  1  0.082  0.087  0.751  1.0
  Mn  Mn9  1  0.913  0.918  0.251  1.0
  Mn  Mn10  1  0.169  0.658  0.999  1.0
  Mn  Mn11  1  0.342  0.831  0.499  1.0
  O  O12  1  0.073  0.793  0.618  1.0
  O  O13  1  0.207  0.927  0.118  1.0
  O  O14  1  0.787  0.068  0.883  1.0
  O  O15  1  0.932  0.213  0.383  1.0
  O  O16  1  0.095  0.397  0.885  1.0
  O  O17  1  0.603  0.905  0.385  1.0
  O  O18  1  0.405  0.099  0.614  1.0
  O  O19  1  0.901  0.595  0.114  1.0
  O  O20  1  0.429  0.710  0.879  1.0
  O  O21  1  0.290  0.571  0.379  1.0
  O  O22  1  0.713  0.433  0.619  1.0
  O  O23  1  0.568  0.287  0.119  1.0
[/CIF]
.
The structure described by LiMn2O3 is Caswellsilverite-like structured and crystallizes in the monoclinic Cc 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), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with three equivalent Mn(2)O6 octahedra, and edges with three equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. There are six inequivalent O sites. In the first O site, O(5) is bonded to one Li(1), one Li(2), one Mn(1), one Mn(2), one Mn(3), and one Mn(4) atom to form a mixture of edge and corner-sharing OLi2Mn4 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the second O site, O(6) is bonded to one Li(1), one Li(2), one Mn(1), one Mn(2), one Mn(3), and one Mn(4) atom to form a mixture of edge and corner-sharing OLi2Mn4 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the third O site, O(1) is bonded to one Li(1), one Li(2), one Mn(1), one Mn(2), one Mn(3), and one Mn(4) atom to form a mixture of edge and corner-sharing OLi2Mn4 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the fourth O site, O(2) is bonded to one Li(1), one Li(2), one Mn(1), one Mn(2), one Mn(3), and one Mn(4) atom to form a mixture of edge and corner-sharing OLi2Mn4 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the fifth O site, O(3) is bonded to one Li(1), one Li(2), one Mn(1), one Mn(2), one Mn(3), and one Mn(4) atom to form a mixture of edge and corner-sharing OLi2Mn4 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the sixth O site, O(4) is bonded to one Li(1), one Li(2), one Mn(1), one Mn(2), one Mn(3), and one Mn(4) atom to form a mixture of edge and corner-sharing OLi2Mn4 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. is represented by the CIF card [CIF]
data_LiMn2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.251
_cell_length_b   5.251
_cell_length_c   10.139
_cell_angle_alpha   86.015
_cell_angle_beta   93.981
_cell_angle_gamma   62.884
_symmetry_Int_Tables_number   1
_cell_volume   246.630
_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  0.430  0.430  0.749  1.0
  Li  Li1  1  0.570  0.570  0.249  1.0
  Li  Li2  1  0.745  0.754  0.750  1.0
  Li  Li3  1  0.246  0.255  0.250  1.0
  Mn  Mn4  1  0.006  0.501  0.502  1.0
  Mn  Mn5  1  0.499  0.994  0.002  1.0
  Mn  Mn6  1  0.666  0.171  0.500  1.0
  Mn  Mn7  1  0.829  0.334  0.001  1.0
  Mn  Mn8  1  0.082  0.087  0.751  1.0
  Mn  Mn9  1  0.913  0.918  0.251  1.0
  Mn  Mn10  1  0.169  0.658  0.999  1.0
  Mn  Mn11  1  0.342  0.831  0.499  1.0
  O  O12  1  0.073  0.793  0.618  1.0
  O  O13  1  0.207  0.927  0.118  1.0
  O  O14  1  0.787  0.068  0.883  1.0
  O  O15  1  0.932  0.213  0.383  1.0
  O  O16  1  0.095  0.397  0.885  1.0
  O  O17  1  0.603  0.905  0.385  1.0
  O  O18  1  0.405  0.099  0.614  1.0
  O  O19  1  0.901  0.595  0.114  1.0
  O  O20  1  0.429  0.710  0.879  1.0
  O  O21  1  0.290  0.571  0.379  1.0
  O  O22  1  0.713  0.433  0.619  1.0
  O  O23  1  0.568  0.287  0.119  1.0
[/CIF]
.