The structure described by Li5Mn3O8 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with four equivalent Mn(2)O6 octahedra, and edges with four equivalent Li(4)O5 square pyramids. The corner-sharing octahedral tilt angles range from 6-11°. In the second Li site, Li(2) is bonded to two equivalent O(4) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, corners with four equivalent Li(4)O5 square pyramids, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-12°. In the third Li site, Li(3) is bonded to two equivalent O(4) and four equivalent O(2) 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 Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with four equivalent Mn(2)O6 octahedra, and edges with four equivalent Li(4)O5 square pyramids. The corner-sharing octahedral tilt angles range from 8-11°. In the fourth Li site, Li(4) is bonded to one O(2), two equivalent O(1), and two equivalent O(4) atoms to form distorted LiO5 square pyramids that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with five equivalent Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)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 1-85°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, corners with four equivalent Li(4)O5 square pyramids, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-12°. In the second Mn site, Mn(2) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with five equivalent Li(4)O5 square pyramids, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)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. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(4), one Mn(1), and two equivalent Mn(2) atoms to form OLi3Mn3 octahedra that share corners with two equivalent O(1)Li3Mn3 octahedra, corners with four equivalent O(4)Li4Mn2 octahedra, corners with two equivalent O(3)Li2Mn3 square pyramids, edges with two equivalent O(1)Li3Mn3 octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, edges with four equivalent O(2)Li5Mn octahedra, and edges with two equivalent O(3)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 0-17°. In the second O site, O(2) is bonded to one Li(4), two equivalent Li(1), two equivalent Li(3), and one Mn(2) atom to form OLi5Mn octahedra that share corners with four equivalent O(2)Li5Mn octahedra,  a cornercorner with one O(3)Li2Mn3 square pyramid, edges with four equivalent O(1)Li3Mn3 octahedra, edges with four equivalent O(4)Li4Mn2 octahedra, and edges with four equivalent O(2)Li5Mn octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to two equivalent Li(2), one Mn(2), and two equivalent Mn(1) atoms to form distorted OLi2Mn3 square pyramids that share  a cornercorner with one O(2)Li5Mn octahedra, corners with two equivalent O(1)Li3Mn3 octahedra, corners with two equivalent O(4)Li4Mn2 octahedra, corners with four equivalent O(3)Li2Mn3 square pyramids, edges with two equivalent O(1)Li3Mn3 octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, and edges with four equivalent O(3)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 3-83°. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), two equivalent Li(4), and two equivalent Mn(2) atoms to form OLi4Mn2 octahedra that share corners with two equivalent O(4)Li4Mn2 octahedra, corners with four equivalent O(1)Li3Mn3 octahedra, corners with two equivalent O(3)Li2Mn3 square pyramids, edges with two equivalent O(1)Li3Mn3 octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, edges with four equivalent O(2)Li5Mn octahedra, and edges with two equivalent O(3)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 0-17°. is represented by the CIF file [CIF]
data_Li5Mn3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.874
_cell_length_b   5.825
_cell_length_c   8.601
_cell_angle_alpha   90.074
_cell_angle_beta   89.974
_cell_angle_gamma   90.033
_symmetry_Int_Tables_number   1
_cell_volume   143.985
_cell_formula_units_Z   1
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  0.750  0.750  1.0
  Li  Li1  1  0.500  0.250  0.250  1.0
  Li  Li2  1  0.500  0.250  0.750  1.0
  Li  Li3  1  0.993  0.493  0.960  1.0
  Li  Li4  1  0.008  0.007  0.540  1.0
  Mn  Mn5  1  0.500  0.750  0.250  1.0
  Mn  Mn6  1  0.004  0.001  0.982  1.0
  Mn  Mn7  1  0.996  0.499  0.518  1.0
  O  O8  1  0.503  0.770  0.993  1.0
  O  O9  1  0.496  0.730  0.507  1.0
  O  O10  1  0.003  0.002  0.772  1.0
  O  O11  1  0.997  0.498  0.728  1.0
  O  O12  1  0.998  0.521  0.272  1.0
  O  O13  1  0.002  0.979  0.228  1.0
  O  O14  1  0.496  0.275  0.500  1.0
  O  O15  1  0.504  0.225  0.000  1.0
[/CIF]
.
The structure described by Li5Mn3O8 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with four equivalent Mn(2)O6 octahedra, and edges with four equivalent Li(4)O5 square pyramids. The corner-sharing octahedral tilt angles range from 6-11°. In the second Li site, Li(2) is bonded to two equivalent O(4) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, corners with four equivalent Li(4)O5 square pyramids, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-12°. In the third Li site, Li(3) is bonded to two equivalent O(4) and four equivalent O(2) 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 Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with four equivalent Mn(2)O6 octahedra, and edges with four equivalent Li(4)O5 square pyramids. The corner-sharing octahedral tilt angles range from 8-11°. In the fourth Li site, Li(4) is bonded to one O(2), two equivalent O(1), and two equivalent O(4) atoms to form distorted LiO5 square pyramids that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with five equivalent Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)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 1-85°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, corners with four equivalent Li(4)O5 square pyramids, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-12°. In the second Mn site, Mn(2) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with five equivalent Li(4)O5 square pyramids, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)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. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(4), one Mn(1), and two equivalent Mn(2) atoms to form OLi3Mn3 octahedra that share corners with two equivalent O(1)Li3Mn3 octahedra, corners with four equivalent O(4)Li4Mn2 octahedra, corners with two equivalent O(3)Li2Mn3 square pyramids, edges with two equivalent O(1)Li3Mn3 octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, edges with four equivalent O(2)Li5Mn octahedra, and edges with two equivalent O(3)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 0-17°. In the second O site, O(2) is bonded to one Li(4), two equivalent Li(1), two equivalent Li(3), and one Mn(2) atom to form OLi5Mn octahedra that share corners with four equivalent O(2)Li5Mn octahedra,  a cornercorner with one O(3)Li2Mn3 square pyramid, edges with four equivalent O(1)Li3Mn3 octahedra, edges with four equivalent O(4)Li4Mn2 octahedra, and edges with four equivalent O(2)Li5Mn octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to two equivalent Li(2), one Mn(2), and two equivalent Mn(1) atoms to form distorted OLi2Mn3 square pyramids that share  a cornercorner with one O(2)Li5Mn octahedra, corners with two equivalent O(1)Li3Mn3 octahedra, corners with two equivalent O(4)Li4Mn2 octahedra, corners with four equivalent O(3)Li2Mn3 square pyramids, edges with two equivalent O(1)Li3Mn3 octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, and edges with four equivalent O(3)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 3-83°. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), two equivalent Li(4), and two equivalent Mn(2) atoms to form OLi4Mn2 octahedra that share corners with two equivalent O(4)Li4Mn2 octahedra, corners with four equivalent O(1)Li3Mn3 octahedra, corners with two equivalent O(3)Li2Mn3 square pyramids, edges with two equivalent O(1)Li3Mn3 octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, edges with four equivalent O(2)Li5Mn octahedra, and edges with two equivalent O(3)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 0-17°. is represented by the CIF file [CIF]
data_Li5Mn3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.874
_cell_length_b   5.825
_cell_length_c   8.601
_cell_angle_alpha   90.074
_cell_angle_beta   89.974
_cell_angle_gamma   90.033
_symmetry_Int_Tables_number   1
_cell_volume   143.985
_cell_formula_units_Z   1
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  0.750  0.750  1.0
  Li  Li1  1  0.500  0.250  0.250  1.0
  Li  Li2  1  0.500  0.250  0.750  1.0
  Li  Li3  1  0.993  0.493  0.960  1.0
  Li  Li4  1  0.008  0.007  0.540  1.0
  Mn  Mn5  1  0.500  0.750  0.250  1.0
  Mn  Mn6  1  0.004  0.001  0.982  1.0
  Mn  Mn7  1  0.996  0.499  0.518  1.0
  O  O8  1  0.503  0.770  0.993  1.0
  O  O9  1  0.496  0.730  0.507  1.0
  O  O10  1  0.003  0.002  0.772  1.0
  O  O11  1  0.997  0.498  0.728  1.0
  O  O12  1  0.998  0.521  0.272  1.0
  O  O13  1  0.002  0.979  0.228  1.0
  O  O14  1  0.496  0.275  0.500  1.0
  O  O15  1  0.504  0.225  0.000  1.0
[/CIF]
.