The structure described by Li3Mn2O5 crystallizes in the monoclinic C2/m space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(2) and four equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the second Li site, Li(2) is bonded to two equivalent O(3) and four equivalent O(5) atoms to form LiO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with two equivalent Li(4)O5 square pyramids, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 10°. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(4), one O(5), two equivalent O(2), and two equivalent O(3) atoms. In the fourth Li site, Li(4) is bonded to one O(3), two equivalent O(1), and two equivalent O(4) atoms to form LiO5 square pyramids that share  a cornercorner with one Li(2)O6 octahedra, corners with six equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Li(4)O5 square pyramids. The corner-sharing octahedral tilt angles range from 8-84°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Li(4)O5 square pyramids. In the second Mn site, Mn(2) is bonded to one O(2), two equivalent O(1), and three equivalent O(4) atoms to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with six equivalent Li(4)O5 square pyramids, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Mn(2)O6 octahedra, and edges with two equivalent Li(4)O5 square pyramids. The corner-sharing octahedral tilt angles are 7°. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(4), one Mn(1), and two equivalent Mn(2) atoms to form OLi2Mn3 square pyramids that share  a cornercorner with one O(5)Li5Mn octahedra, corners with six equivalent O(4)Li3Mn3 octahedra, edges with two equivalent O(2)Li3Mn3 octahedra, edges with two equivalent O(4)Li3Mn3 octahedra, edges with two equivalent O(3)Li4Mn2 octahedra, and edges with two equivalent O(1)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 3-84°. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(3), one Mn(2), and two equivalent Mn(1) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(2)Li3Mn3 octahedra,  a cornercorner with one O(4)Li3Mn3 octahedra, corners with four equivalent O(3)Li4Mn2 octahedra, edges with two equivalent O(2)Li3Mn3 octahedra, edges with two equivalent O(4)Li3Mn3 octahedra, edges with two equivalent O(3)Li4Mn2 octahedra, edges with four equivalent O(5)Li5Mn octahedra, and edges with two equivalent O(1)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 0-15°. In the third O site, O(3) is bonded to one Li(2), one Li(4), two equivalent Li(3), and two equivalent Mn(1) atoms to form OLi4Mn2 octahedra that share  a cornercorner with one O(3)Li4Mn2 octahedra, corners with four equivalent O(2)Li3Mn3 octahedra, edges with two equivalent O(2)Li3Mn3 octahedra, edges with two equivalent O(4)Li3Mn3 octahedra, edges with two equivalent O(3)Li4Mn2 octahedra, edges with four equivalent O(5)Li5Mn octahedra, and edges with two equivalent O(1)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 0-15°. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Li(4), and three equivalent Mn(2) atoms to form distorted OLi3Mn3 octahedra that share  a cornercorner with one O(2)Li3Mn3 octahedra,  a cornercorner with one O(5)Li5Mn octahedra, corners with six equivalent O(1)Li2Mn3 square pyramids, edges with two equivalent O(2)Li3Mn3 octahedra, edges with two equivalent O(3)Li4Mn2 octahedra, edges with four equivalent O(4)Li3Mn3 octahedra, and edges with two equivalent O(1)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles are 3°. In the fifth O site, O(5) is bonded to one Li(3), two equivalent Li(1), two equivalent Li(2), and one Mn(1) atom to form OLi5Mn octahedra that share  a cornercorner with one O(4)Li3Mn3 octahedra, corners with four equivalent O(5)Li5Mn octahedra,  a cornercorner with one O(1)Li2Mn3 square pyramid, edges with four equivalent O(2)Li3Mn3 octahedra, edges with four equivalent O(3)Li4Mn2 octahedra, and edges with four equivalent O(5)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 0-3°. is represented by the CIF card [CIF]
data_Li3Mn2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.868
_cell_length_b   5.811
_cell_length_c   11.236
_cell_angle_alpha   82.810
_cell_angle_beta   97.332
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   184.234
_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  0.600  0.700  0.200  1.0
  Li  Li1  1  0.600  0.200  0.200  1.0
  Li  Li2  1  0.183  0.913  0.366  1.0
  Li  Li3  1  0.017  0.487  0.034  1.0
  Li  Li4  1  0.412  0.296  0.824  1.0
  Li  Li5  1  0.788  0.105  0.576  1.0
  Mn  Mn6  1  0.190  0.405  0.380  1.0
  Mn  Mn7  1  0.795  0.608  0.591  1.0
  Mn  Mn8  1  0.010  0.995  0.020  1.0
  Mn  Mn9  1  0.404  0.792  0.809  1.0
  O  O10  1  0.287  0.381  0.574  1.0
  O  O11  1  0.913  0.019  0.826  1.0
  O  O12  1  0.505  0.767  0.011  1.0
  O  O13  1  0.695  0.633  0.389  1.0
  O  O14  1  0.697  0.178  0.393  1.0
  O  O15  1  0.503  0.222  0.007  1.0
  O  O16  1  0.900  0.564  0.800  1.0
  O  O17  1  0.300  0.836  0.600  1.0
  O  O18  1  0.092  0.956  0.184  1.0
  O  O19  1  0.108  0.444  0.217  1.0
[/CIF]
.
The structure described by Li3Mn2O5 crystallizes in the monoclinic C2/m space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(2) and four equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the second Li site, Li(2) is bonded to two equivalent O(3) and four equivalent O(5) atoms to form LiO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with two equivalent Li(4)O5 square pyramids, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 10°. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(4), one O(5), two equivalent O(2), and two equivalent O(3) atoms. In the fourth Li site, Li(4) is bonded to one O(3), two equivalent O(1), and two equivalent O(4) atoms to form LiO5 square pyramids that share  a cornercorner with one Li(2)O6 octahedra, corners with six equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Li(4)O5 square pyramids. The corner-sharing octahedral tilt angles range from 8-84°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Li(4)O5 square pyramids. In the second Mn site, Mn(2) is bonded to one O(2), two equivalent O(1), and three equivalent O(4) atoms to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with six equivalent Li(4)O5 square pyramids, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Mn(2)O6 octahedra, and edges with two equivalent Li(4)O5 square pyramids. The corner-sharing octahedral tilt angles are 7°. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(4), one Mn(1), and two equivalent Mn(2) atoms to form OLi2Mn3 square pyramids that share  a cornercorner with one O(5)Li5Mn octahedra, corners with six equivalent O(4)Li3Mn3 octahedra, edges with two equivalent O(2)Li3Mn3 octahedra, edges with two equivalent O(4)Li3Mn3 octahedra, edges with two equivalent O(3)Li4Mn2 octahedra, and edges with two equivalent O(1)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 3-84°. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(3), one Mn(2), and two equivalent Mn(1) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(2)Li3Mn3 octahedra,  a cornercorner with one O(4)Li3Mn3 octahedra, corners with four equivalent O(3)Li4Mn2 octahedra, edges with two equivalent O(2)Li3Mn3 octahedra, edges with two equivalent O(4)Li3Mn3 octahedra, edges with two equivalent O(3)Li4Mn2 octahedra, edges with four equivalent O(5)Li5Mn octahedra, and edges with two equivalent O(1)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 0-15°. In the third O site, O(3) is bonded to one Li(2), one Li(4), two equivalent Li(3), and two equivalent Mn(1) atoms to form OLi4Mn2 octahedra that share  a cornercorner with one O(3)Li4Mn2 octahedra, corners with four equivalent O(2)Li3Mn3 octahedra, edges with two equivalent O(2)Li3Mn3 octahedra, edges with two equivalent O(4)Li3Mn3 octahedra, edges with two equivalent O(3)Li4Mn2 octahedra, edges with four equivalent O(5)Li5Mn octahedra, and edges with two equivalent O(1)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 0-15°. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Li(4), and three equivalent Mn(2) atoms to form distorted OLi3Mn3 octahedra that share  a cornercorner with one O(2)Li3Mn3 octahedra,  a cornercorner with one O(5)Li5Mn octahedra, corners with six equivalent O(1)Li2Mn3 square pyramids, edges with two equivalent O(2)Li3Mn3 octahedra, edges with two equivalent O(3)Li4Mn2 octahedra, edges with four equivalent O(4)Li3Mn3 octahedra, and edges with two equivalent O(1)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles are 3°. In the fifth O site, O(5) is bonded to one Li(3), two equivalent Li(1), two equivalent Li(2), and one Mn(1) atom to form OLi5Mn octahedra that share  a cornercorner with one O(4)Li3Mn3 octahedra, corners with four equivalent O(5)Li5Mn octahedra,  a cornercorner with one O(1)Li2Mn3 square pyramid, edges with four equivalent O(2)Li3Mn3 octahedra, edges with four equivalent O(3)Li4Mn2 octahedra, and edges with four equivalent O(5)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 0-3°. is represented by the CIF card [CIF]
data_Li3Mn2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.868
_cell_length_b   5.811
_cell_length_c   11.236
_cell_angle_alpha   82.810
_cell_angle_beta   97.332
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   184.234
_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  0.600  0.700  0.200  1.0
  Li  Li1  1  0.600  0.200  0.200  1.0
  Li  Li2  1  0.183  0.913  0.366  1.0
  Li  Li3  1  0.017  0.487  0.034  1.0
  Li  Li4  1  0.412  0.296  0.824  1.0
  Li  Li5  1  0.788  0.105  0.576  1.0
  Mn  Mn6  1  0.190  0.405  0.380  1.0
  Mn  Mn7  1  0.795  0.608  0.591  1.0
  Mn  Mn8  1  0.010  0.995  0.020  1.0
  Mn  Mn9  1  0.404  0.792  0.809  1.0
  O  O10  1  0.287  0.381  0.574  1.0
  O  O11  1  0.913  0.019  0.826  1.0
  O  O12  1  0.505  0.767  0.011  1.0
  O  O13  1  0.695  0.633  0.389  1.0
  O  O14  1  0.697  0.178  0.393  1.0
  O  O15  1  0.503  0.222  0.007  1.0
  O  O16  1  0.900  0.564  0.800  1.0
  O  O17  1  0.300  0.836  0.600  1.0
  O  O18  1  0.092  0.956  0.184  1.0
  O  O19  1  0.108  0.444  0.217  1.0
[/CIF]
.