The structure described by LiMn3O5 crystallizes in the orthorhombic Pbam space group. Li(1) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1) and four equivalent O(5) atoms to form a mixture of distorted corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 66°. In the second Mn site, Mn(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 3°. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of distorted corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 53-66°. In the fourth Mn site, Mn(4) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 3-53°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Mn(3), and two equivalent Mn(4) atoms. In the second O site, O(2) is bonded to one Mn(3), two equivalent Mn(2), and two equivalent Mn(4) atoms to form OMn5 square pyramids that share corners with two equivalent O(2)Mn5 square pyramids, corners with two equivalent O(3)LiMn3 tetrahedra, corners with two equivalent O(5)LiMn3 tetrahedra, edges with three equivalent O(2)Mn5 square pyramids, edges with two equivalent O(3)LiMn3 tetrahedra, and edges with two equivalent O(4)LiMn3 tetrahedra. In the third O site, O(3) is bonded to one Li(1), one Mn(2), and two equivalent Mn(3) atoms to form OLiMn3 tetrahedra that share corners with two equivalent O(2)Mn5 square pyramids,  a cornercorner with one O(5)LiMn3 tetrahedra, corners with three equivalent O(3)LiMn3 tetrahedra, corners with three equivalent O(4)LiMn3 tetrahedra, edges with two equivalent O(2)Mn5 square pyramids, and  an edgeedge with one O(4)LiMn3 tetrahedra. In the fourth O site, O(4) is bonded to one Li(1), one Mn(4), and two equivalent Mn(3) atoms to form distorted OLiMn3 tetrahedra that share corners with two equivalent O(4)LiMn3 tetrahedra, corners with two equivalent O(5)LiMn3 tetrahedra, corners with three equivalent O(3)LiMn3 tetrahedra, edges with two equivalent O(2)Mn5 square pyramids, and  an edgeedge with one O(3)LiMn3 tetrahedra. In the fifth O site, O(5) is bonded to one Li(1), one Mn(4), and two equivalent Mn(1) atoms to form OLiMn3 tetrahedra that share corners with two equivalent O(2)Mn5 square pyramids,  a cornercorner with one O(3)LiMn3 tetrahedra, corners with two equivalent O(4)LiMn3 tetrahedra, corners with four equivalent O(5)LiMn3 tetrahedra, and  an edgeedge with one O(5)LiMn3 tetrahedra. is represented by the CIF file [CIF]
data_LiMn3O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.942
_cell_length_b   9.983
_cell_length_c   13.374
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   392.820
_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  0.500  0.726  0.864  1.0
  Li  Li1  1  0.500  0.774  0.364  1.0
  Li  Li2  1  0.500  0.226  0.636  1.0
  Li  Li3  1  0.500  0.274  0.136  1.0
  Mn  Mn4  1  0.000  0.500  0.000  1.0
  Mn  Mn5  1  0.500  0.500  0.500  1.0
  Mn  Mn6  1  0.000  0.494  0.291  1.0
  Mn  Mn7  1  0.500  0.737  0.117  1.0
  Mn  Mn8  1  0.500  0.763  0.617  1.0
  Mn  Mn9  1  0.000  0.006  0.791  1.0
  Mn  Mn10  1  0.000  0.000  0.500  1.0
  Mn  Mn11  1  0.500  0.000  0.000  1.0
  Mn  Mn12  1  0.000  0.994  0.209  1.0
  Mn  Mn13  1  0.500  0.237  0.383  1.0
  Mn  Mn14  1  0.500  0.263  0.883  1.0
  Mn  Mn15  1  0.000  0.506  0.709  1.0
  O  O16  1  0.000  0.623  0.164  1.0
  O  O17  1  0.000  0.637  0.563  1.0
  O  O18  1  0.500  0.587  0.362  1.0
  O  O19  1  0.500  0.627  0.745  1.0
  O  O20  1  0.500  0.626  0.982  1.0
  O  O21  1  0.500  0.874  0.482  1.0
  O  O22  1  0.500  0.873  0.245  1.0
  O  O23  1  0.500  0.913  0.862  1.0
  O  O24  1  0.000  0.863  0.063  1.0
  O  O25  1  0.000  0.877  0.664  1.0
  O  O26  1  0.000  0.123  0.336  1.0
  O  O27  1  0.000  0.137  0.937  1.0
  O  O28  1  0.500  0.087  0.138  1.0
  O  O29  1  0.500  0.127  0.755  1.0
  O  O30  1  0.500  0.126  0.518  1.0
  O  O31  1  0.500  0.374  0.018  1.0
  O  O32  1  0.500  0.373  0.255  1.0
  O  O33  1  0.500  0.413  0.638  1.0
  O  O34  1  0.000  0.363  0.437  1.0
  O  O35  1  0.000  0.377  0.836  1.0
[/CIF]
.
The structure described by LiMn3O5 crystallizes in the orthorhombic Pbam space group. Li(1) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1) and four equivalent O(5) atoms to form a mixture of distorted corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 66°. In the second Mn site, Mn(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 3°. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of distorted corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 53-66°. In the fourth Mn site, Mn(4) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 3-53°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Mn(3), and two equivalent Mn(4) atoms. In the second O site, O(2) is bonded to one Mn(3), two equivalent Mn(2), and two equivalent Mn(4) atoms to form OMn5 square pyramids that share corners with two equivalent O(2)Mn5 square pyramids, corners with two equivalent O(3)LiMn3 tetrahedra, corners with two equivalent O(5)LiMn3 tetrahedra, edges with three equivalent O(2)Mn5 square pyramids, edges with two equivalent O(3)LiMn3 tetrahedra, and edges with two equivalent O(4)LiMn3 tetrahedra. In the third O site, O(3) is bonded to one Li(1), one Mn(2), and two equivalent Mn(3) atoms to form OLiMn3 tetrahedra that share corners with two equivalent O(2)Mn5 square pyramids,  a cornercorner with one O(5)LiMn3 tetrahedra, corners with three equivalent O(3)LiMn3 tetrahedra, corners with three equivalent O(4)LiMn3 tetrahedra, edges with two equivalent O(2)Mn5 square pyramids, and  an edgeedge with one O(4)LiMn3 tetrahedra. In the fourth O site, O(4) is bonded to one Li(1), one Mn(4), and two equivalent Mn(3) atoms to form distorted OLiMn3 tetrahedra that share corners with two equivalent O(4)LiMn3 tetrahedra, corners with two equivalent O(5)LiMn3 tetrahedra, corners with three equivalent O(3)LiMn3 tetrahedra, edges with two equivalent O(2)Mn5 square pyramids, and  an edgeedge with one O(3)LiMn3 tetrahedra. In the fifth O site, O(5) is bonded to one Li(1), one Mn(4), and two equivalent Mn(1) atoms to form OLiMn3 tetrahedra that share corners with two equivalent O(2)Mn5 square pyramids,  a cornercorner with one O(3)LiMn3 tetrahedra, corners with two equivalent O(4)LiMn3 tetrahedra, corners with four equivalent O(5)LiMn3 tetrahedra, and  an edgeedge with one O(5)LiMn3 tetrahedra. is represented by the CIF file [CIF]
data_LiMn3O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.942
_cell_length_b   9.983
_cell_length_c   13.374
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   392.820
_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  0.500  0.726  0.864  1.0
  Li  Li1  1  0.500  0.774  0.364  1.0
  Li  Li2  1  0.500  0.226  0.636  1.0
  Li  Li3  1  0.500  0.274  0.136  1.0
  Mn  Mn4  1  0.000  0.500  0.000  1.0
  Mn  Mn5  1  0.500  0.500  0.500  1.0
  Mn  Mn6  1  0.000  0.494  0.291  1.0
  Mn  Mn7  1  0.500  0.737  0.117  1.0
  Mn  Mn8  1  0.500  0.763  0.617  1.0
  Mn  Mn9  1  0.000  0.006  0.791  1.0
  Mn  Mn10  1  0.000  0.000  0.500  1.0
  Mn  Mn11  1  0.500  0.000  0.000  1.0
  Mn  Mn12  1  0.000  0.994  0.209  1.0
  Mn  Mn13  1  0.500  0.237  0.383  1.0
  Mn  Mn14  1  0.500  0.263  0.883  1.0
  Mn  Mn15  1  0.000  0.506  0.709  1.0
  O  O16  1  0.000  0.623  0.164  1.0
  O  O17  1  0.000  0.637  0.563  1.0
  O  O18  1  0.500  0.587  0.362  1.0
  O  O19  1  0.500  0.627  0.745  1.0
  O  O20  1  0.500  0.626  0.982  1.0
  O  O21  1  0.500  0.874  0.482  1.0
  O  O22  1  0.500  0.873  0.245  1.0
  O  O23  1  0.500  0.913  0.862  1.0
  O  O24  1  0.000  0.863  0.063  1.0
  O  O25  1  0.000  0.877  0.664  1.0
  O  O26  1  0.000  0.123  0.336  1.0
  O  O27  1  0.000  0.137  0.937  1.0
  O  O28  1  0.500  0.087  0.138  1.0
  O  O29  1  0.500  0.127  0.755  1.0
  O  O30  1  0.500  0.126  0.518  1.0
  O  O31  1  0.500  0.374  0.018  1.0
  O  O32  1  0.500  0.373  0.255  1.0
  O  O33  1  0.500  0.413  0.638  1.0
  O  O34  1  0.000  0.363  0.437  1.0
  O  O35  1  0.000  0.377  0.836  1.0
[/CIF]
.