The compound described by LiMn2O3 is Caswellsilverite-like structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with three equivalent Li(4)O6 octahedra, and edges with three equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. In the third Li site, Li(3) is bonded to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)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 1-9°. In the fourth Li site, Li(4) is bonded to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(10), one O(11), one O(4), one O(6), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with three equivalent Mn(6)O6 octahedra, and edges with three equivalent Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-11°. In the second Mn site, Mn(2) is bonded to one O(12), one O(2), one O(3), one O(5), one O(8), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with three equivalent Mn(5)O6 octahedra, and edges with three equivalent Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the third Mn site, Mn(3) is bonded to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. In the fifth Mn site, Mn(5) is bonded to one O(12), one O(2), one O(3), one O(5), one O(8), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with three equivalent Mn(2)O6 octahedra, and edges with three equivalent Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(10), one O(11), one O(4), one O(6), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the seventh Mn site, Mn(7) is bonded to one O(1), one O(10), one O(11), one O(4), one O(6), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the eighth Mn site, Mn(8) is bonded to one O(12), one O(2), one O(3), one O(5), one O(8), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with three equivalent Mn(2)O6 octahedra, and edges with three equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), one Mn(1), one Mn(3), one Mn(6), and one Mn(7) atom to form a mixture of corner and edge-sharing OLi2Mn4 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the second O site, O(2) is bonded to one Li(2), one Li(4), one Mn(2), one Mn(4), one Mn(5), and one Mn(8) atom to form a mixture of corner and edge-sharing OLi2Mn4 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Mn(2), one Mn(3), one Mn(5), and one Mn(8) atom to form a mixture of corner and edge-sharing OLi2Mn4 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the fourth O site, O(4) is bonded to one Li(2), one Li(4), one Mn(1), one Mn(4), one Mn(6), and one Mn(7) atom to form a mixture of corner and edge-sharing OLi2Mn4 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Mn(2), one Mn(3), one Mn(5), and one Mn(8) atom to form a mixture of corner and edge-sharing OLi2Mn4 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the sixth O site, O(6) is bonded to one Li(2), one Li(4), one Mn(1), one Mn(4), one Mn(6), and one Mn(7) atom to form a mixture of corner and edge-sharing OLi2Mn4 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Mn(1), one Mn(3), one Mn(6), and one Mn(7) atom to form a mixture of corner and edge-sharing OLi2Mn4 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the eighth O site, O(8) is bonded to one Li(2), one Li(4), one Mn(2), one Mn(4), one Mn(5), and one Mn(8) atom to form a mixture of corner and edge-sharing OLi2Mn4 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the ninth O site, O(9) is bonded to one Li(1), one Li(3), one Mn(2), one Mn(3), one Mn(5), and one Mn(8) atom to form a mixture of corner and edge-sharing OLi2Mn4 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the tenth O site, O(10) is bonded to one Li(2), one Li(4), one Mn(1), one Mn(4), one Mn(6), and one Mn(7) atom to form a mixture of corner and edge-sharing OLi2Mn4 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the eleventh O site, O(11) is bonded to one Li(1), one Li(3), one Mn(1), one Mn(3), one Mn(6), and one Mn(7) atom to form a mixture of corner and edge-sharing OLi2Mn4 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the twelfth O site, O(12) is bonded to one Li(2), one Li(4), one Mn(2), one Mn(4), one Mn(5), and one Mn(8) atom to form a mixture of corner and edge-sharing OLi2Mn4 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMn2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.235
_cell_length_b   5.261
_cell_length_c   10.105
_cell_angle_alpha   86.082
_cell_angle_beta   93.171
_cell_angle_gamma   63.078
_symmetry_Int_Tables_number   1
_cell_volume   246.397
_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  0.412  0.425  0.749  1.0
  Li  Li1  1  0.583  0.569  0.252  1.0
  Li  Li2  1  0.752  0.750  0.753  1.0
  Li  Li3  1  0.253  0.266  0.249  1.0
  Mn  Mn4  1  0.999  0.502  0.501  1.0
  Mn  Mn5  1  0.502  0.997  0.999  1.0
  Mn  Mn6  1  0.072  0.091  0.753  1.0
  Mn  Mn7  1  0.919  0.919  0.249  1.0
  Mn  Mn8  1  0.171  0.659  0.998  1.0
  Mn  Mn9  1  0.336  0.833  0.500  1.0
  Mn  Mn10  1  0.662  0.171  0.501  1.0
  Mn  Mn11  1  0.830  0.334  0.000  1.0
  O  O12  1  0.066  0.795  0.618  1.0
  O  O13  1  0.229  0.931  0.111  1.0
  O  O14  1  0.775  0.034  0.880  1.0
  O  O15  1  0.928  0.216  0.380  1.0
  O  O16  1  0.127  0.394  0.877  1.0
  O  O17  1  0.606  0.901  0.389  1.0
  O  O18  1  0.391  0.103  0.613  1.0
  O  O19  1  0.907  0.619  0.120  1.0
  O  O20  1  0.438  0.726  0.886  1.0
  O  O21  1  0.293  0.573  0.380  1.0
  O  O22  1  0.706  0.431  0.622  1.0
  O  O23  1  0.543  0.262  0.121  1.0
[/CIF]
.
The compound described by LiMn2O3 is Caswellsilverite-like structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with three equivalent Li(4)O6 octahedra, and edges with three equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. In the third Li site, Li(3) is bonded to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)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 1-9°. In the fourth Li site, Li(4) is bonded to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(10), one O(11), one O(4), one O(6), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with three equivalent Mn(6)O6 octahedra, and edges with three equivalent Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-11°. In the second Mn site, Mn(2) is bonded to one O(12), one O(2), one O(3), one O(5), one O(8), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with three equivalent Mn(5)O6 octahedra, and edges with three equivalent Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the third Mn site, Mn(3) is bonded to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. In the fifth Mn site, Mn(5) is bonded to one O(12), one O(2), one O(3), one O(5), one O(8), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with three equivalent Mn(2)O6 octahedra, and edges with three equivalent Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(10), one O(11), one O(4), one O(6), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the seventh Mn site, Mn(7) is bonded to one O(1), one O(10), one O(11), one O(4), one O(6), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the eighth Mn site, Mn(8) is bonded to one O(12), one O(2), one O(3), one O(5), one O(8), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with three equivalent Mn(2)O6 octahedra, and edges with three equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), one Mn(1), one Mn(3), one Mn(6), and one Mn(7) atom to form a mixture of corner and edge-sharing OLi2Mn4 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the second O site, O(2) is bonded to one Li(2), one Li(4), one Mn(2), one Mn(4), one Mn(5), and one Mn(8) atom to form a mixture of corner and edge-sharing OLi2Mn4 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Mn(2), one Mn(3), one Mn(5), and one Mn(8) atom to form a mixture of corner and edge-sharing OLi2Mn4 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the fourth O site, O(4) is bonded to one Li(2), one Li(4), one Mn(1), one Mn(4), one Mn(6), and one Mn(7) atom to form a mixture of corner and edge-sharing OLi2Mn4 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Mn(2), one Mn(3), one Mn(5), and one Mn(8) atom to form a mixture of corner and edge-sharing OLi2Mn4 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the sixth O site, O(6) is bonded to one Li(2), one Li(4), one Mn(1), one Mn(4), one Mn(6), and one Mn(7) atom to form a mixture of corner and edge-sharing OLi2Mn4 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Mn(1), one Mn(3), one Mn(6), and one Mn(7) atom to form a mixture of corner and edge-sharing OLi2Mn4 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the eighth O site, O(8) is bonded to one Li(2), one Li(4), one Mn(2), one Mn(4), one Mn(5), and one Mn(8) atom to form a mixture of corner and edge-sharing OLi2Mn4 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the ninth O site, O(9) is bonded to one Li(1), one Li(3), one Mn(2), one Mn(3), one Mn(5), and one Mn(8) atom to form a mixture of corner and edge-sharing OLi2Mn4 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the tenth O site, O(10) is bonded to one Li(2), one Li(4), one Mn(1), one Mn(4), one Mn(6), and one Mn(7) atom to form a mixture of corner and edge-sharing OLi2Mn4 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the eleventh O site, O(11) is bonded to one Li(1), one Li(3), one Mn(1), one Mn(3), one Mn(6), and one Mn(7) atom to form a mixture of corner and edge-sharing OLi2Mn4 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the twelfth O site, O(12) is bonded to one Li(2), one Li(4), one Mn(2), one Mn(4), one Mn(5), and one Mn(8) atom to form a mixture of corner and edge-sharing OLi2Mn4 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMn2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.235
_cell_length_b   5.261
_cell_length_c   10.105
_cell_angle_alpha   86.082
_cell_angle_beta   93.171
_cell_angle_gamma   63.078
_symmetry_Int_Tables_number   1
_cell_volume   246.397
_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  0.412  0.425  0.749  1.0
  Li  Li1  1  0.583  0.569  0.252  1.0
  Li  Li2  1  0.752  0.750  0.753  1.0
  Li  Li3  1  0.253  0.266  0.249  1.0
  Mn  Mn4  1  0.999  0.502  0.501  1.0
  Mn  Mn5  1  0.502  0.997  0.999  1.0
  Mn  Mn6  1  0.072  0.091  0.753  1.0
  Mn  Mn7  1  0.919  0.919  0.249  1.0
  Mn  Mn8  1  0.171  0.659  0.998  1.0
  Mn  Mn9  1  0.336  0.833  0.500  1.0
  Mn  Mn10  1  0.662  0.171  0.501  1.0
  Mn  Mn11  1  0.830  0.334  0.000  1.0
  O  O12  1  0.066  0.795  0.618  1.0
  O  O13  1  0.229  0.931  0.111  1.0
  O  O14  1  0.775  0.034  0.880  1.0
  O  O15  1  0.928  0.216  0.380  1.0
  O  O16  1  0.127  0.394  0.877  1.0
  O  O17  1  0.606  0.901  0.389  1.0
  O  O18  1  0.391  0.103  0.613  1.0
  O  O19  1  0.907  0.619  0.120  1.0
  O  O20  1  0.438  0.726  0.886  1.0
  O  O21  1  0.293  0.573  0.380  1.0
  O  O22  1  0.706  0.431  0.622  1.0
  O  O23  1  0.543  0.262  0.121  1.0
[/CIF]
.