The crystal structure described by Li5Mn4O8 crystallizes in the triclinic P1 space group. There are ten inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(10), one O(12), one O(13), one O(15), and one O(4) atom to form LiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, edges with two equivalent Li(10)O6 octahedra, and edges with two equivalent Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the second Li site, Li(2) is bonded to one O(11), one O(14), one O(16), one O(2), one O(3), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, and edges with two equivalent Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the third Li site, Li(3) is bonded in a trigonal planar geometry to one O(10), one O(12), and one O(6) atom. In the fourth Li site, Li(4) is bonded in a distorted trigonal planar geometry to one O(11), one O(13), one O(15), one O(5), and one O(9) atom. In the fifth Li site, Li(5) is bonded in a distorted trigonal planar geometry to one O(10), one O(12), one O(14), one O(16), and one O(8) atom. In the sixth Li site, Li(6) is bonded in a trigonal planar geometry to one O(13), one O(15), and one O(7) atom. In the seventh Li site, Li(7) is bonded in a 4-coordinate geometry to one O(1), one O(12), one O(13), one O(4), one O(6), and one O(7) atom. In the eighth Li site, Li(8) is bonded to one O(11), one O(14), one O(2), one O(3), one O(5), and one O(8) atom to form distorted LiO6 octahedra that share corners with three equivalent Mn(5)O6 octahedra, corners with three equivalent Mn(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, and edges with two equivalent Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the ninth Li site, Li(9) is bonded to one O(16), one O(2), one O(3), one O(5), one O(8), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Mn(3)O6 octahedra, corners with three equivalent Mn(4)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, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the tenth Li site, Li(10) is bonded to one O(1), one O(10), one O(15), one O(4), one O(6), and one O(7) atom to form distorted LiO6 octahedra that share corners with three equivalent Mn(3)O6 octahedra, corners with three equivalent Mn(4)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, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(11), one O(13), one O(15), one O(3), and one O(9) atom to form MnO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-6°. In the second Mn site, Mn(2) is bonded to one O(10), one O(12), one O(14), one O(16), one O(2), and one O(4) atom to form MnO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and edges with two equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-6°. In the third Mn site, Mn(3) is bonded to one O(1), one O(15), one O(3), one O(5), one O(7), and one O(9) atom to form distorted MnO6 octahedra that share corners with three equivalent Li(10)O6 octahedra, corners with three equivalent Li(9)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(16), one O(2), one O(4), one O(6), and one O(8) atom to form distorted MnO6 octahedra that share corners with three equivalent Li(10)O6 octahedra, corners with three equivalent Li(9)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(11), one O(13), one O(3), one O(5), and one O(7) atom to form MnO6 octahedra that share corners with three equivalent Li(8)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the sixth Mn site, Mn(6) is bonded to one O(12), one O(14), one O(2), one O(4), one O(6), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent Li(8)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the seventh Mn site, Mn(7) is bonded to one O(10), one O(12), one O(13), one O(15), one O(6), and one O(7) atom to form MnO6 octahedra that share  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Li(10)O6 octahedra. In the eighth Mn site, Mn(8) is bonded to one O(11), one O(14), one O(16), one O(5), one O(8), and one O(9) atom to form MnO6 octahedra that share  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Li(9)O6 octahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(10), one Li(7), one Mn(1), one Mn(3), and one Mn(5) atom to form a mixture of edge and corner-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second O site, O(2) is bonded to one Li(2), one Li(8), one Li(9), one Mn(2), one Mn(4), and one Mn(6) atom to form a mixture of edge and corner-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third O site, O(3) is bonded to one Li(2), one Li(8), one Li(9), one Mn(1), one Mn(3), and one Mn(5) atom to form a mixture of edge and corner-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fourth O site, O(4) is bonded to one Li(1), one Li(10), one Li(7), one Mn(2), one Mn(4), and one Mn(6) atom to form a mixture of distorted edge and corner-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fifth O site, O(5) is bonded to one Li(4), one Li(8), one Li(9), one Mn(3), one Mn(5), and one Mn(8) atom to form a mixture of distorted edge and corner-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the sixth O site, O(6) is bonded to one Li(10), one Li(3), one Li(7), one Mn(4), one Mn(6), and one Mn(7) atom to form a mixture of distorted edge and corner-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-86°. In the seventh O site, O(7) is bonded to one Li(10), one Li(6), one Li(7), one Mn(3), one Mn(5), and one Mn(7) atom to form a mixture of distorted edge and corner-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-86°. In the eighth O site, O(8) is bonded to one Li(5), one Li(8), one Li(9), one Mn(4), one Mn(6), and one Mn(8) atom to form a mixture of distorted edge and corner-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the ninth O site, O(9) is bonded to one Li(2), one Li(4), one Li(9), one Mn(1), one Mn(3), and one Mn(8) atom to form a mixture of distorted edge and corner-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-86°. In the tenth O site, O(10) is bonded in a 7-coordinate geometry to one Li(1), one Li(10), one Li(3), one Li(5), one Mn(2), one Mn(4), and one Mn(7) atom. In the eleventh O site, O(11) is bonded to one Li(2), one Li(4), one Li(8), one Mn(1), one Mn(5), and one Mn(8) atom to form a mixture of distorted edge and corner-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-85°. In the twelfth O site, O(12) is bonded in a 7-coordinate geometry to one Li(1), one Li(3), one Li(5), one Li(7), one Mn(2), one Mn(6), and one Mn(7) atom. In the thirteenth O site, O(13) is bonded in a 7-coordinate geometry to one Li(1), one Li(4), one Li(6), one Li(7), one Mn(1), one Mn(5), and one Mn(7) atom. In the fourteenth O site, O(14) is bonded to one Li(2), one Li(5), one Li(8), one Mn(2), one Mn(6), and one Mn(8) atom to form a mixture of distorted edge and corner-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-85°. In the fifteenth O site, O(15) is bonded in a 7-coordinate geometry to one Li(1), one Li(10), one Li(4), one Li(6), one Mn(1), one Mn(3), and one Mn(7) atom. In the sixteenth O site, O(16) is bonded to one Li(2), one Li(5), one Li(9), one Mn(2), one Mn(4), and one Mn(8) atom to form a mixture of distorted edge and corner-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-86°. is represented by the CIF file [CIF]
data_Li5Mn4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.821
_cell_length_b   10.504
_cell_length_c   6.366
_cell_angle_alpha   96.074
_cell_angle_beta   62.704
_cell_angle_gamma   105.920
_symmetry_Int_Tables_number   1
_cell_volume   332.532
_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  0.001  0.251  0.249  1.0
  Li  Li1  1  0.999  0.750  0.750  1.0
  Li  Li2  1  0.903  0.396  0.577  1.0
  Li  Li3  1  0.918  0.914  0.067  1.0
  Li  Li4  1  0.082  0.586  0.433  1.0
  Li  Li5  1  0.096  0.105  0.924  1.0
  Li  Li6  1  0.500  0.250  0.750  1.0
  Li  Li7  1  0.500  0.750  0.250  1.0
  Li  Li8  1  1.000  0.750  0.250  1.0
  Li  Li9  1  0.000  0.250  0.750  1.0
  Mn  Mn10  1  0.499  0.996  0.999  1.0
  Mn  Mn11  1  0.502  0.504  0.500  1.0
  Mn  Mn12  1  0.509  0.003  0.488  1.0
  Mn  Mn13  1  0.491  0.497  0.012  1.0
  Mn  Mn14  1  0.006  0.003  0.490  1.0
  Mn  Mn15  1  0.994  0.497  0.010  1.0
  Mn  Mn16  1  0.500  0.250  0.250  1.0
  Mn  Mn17  1  0.500  0.750  0.750  1.0
  O  O18  1  0.747  0.122  0.609  1.0
  O  O19  1  0.736  0.616  0.120  1.0
  O  O20  1  0.263  0.884  0.380  1.0
  O  O21  1  0.254  0.378  0.892  1.0
  O  O22  1  0.731  0.876  0.394  1.0
  O  O23  1  0.726  0.374  0.901  1.0
  O  O24  1  0.273  0.125  0.600  1.0
  O  O25  1  0.270  0.624  0.105  1.0
  O  O26  1  0.261  0.869  0.884  1.0
  O  O27  1  0.254  0.390  0.390  1.0
  O  O28  1  0.734  0.874  0.868  1.0
  O  O29  1  0.750  0.392  0.379  1.0
  O  O30  1  0.250  0.108  0.122  1.0
  O  O31  1  0.267  0.627  0.631  1.0
  O  O32  1  0.746  0.110  0.110  1.0
  O  O33  1  0.739  0.631  0.615  1.0
[/CIF]
.
The crystal structure described by Li5Mn4O8 crystallizes in the triclinic P1 space group. There are ten inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(10), one O(12), one O(13), one O(15), and one O(4) atom to form LiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, edges with two equivalent Li(10)O6 octahedra, and edges with two equivalent Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the second Li site, Li(2) is bonded to one O(11), one O(14), one O(16), one O(2), one O(3), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, and edges with two equivalent Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the third Li site, Li(3) is bonded in a trigonal planar geometry to one O(10), one O(12), and one O(6) atom. In the fourth Li site, Li(4) is bonded in a distorted trigonal planar geometry to one O(11), one O(13), one O(15), one O(5), and one O(9) atom. In the fifth Li site, Li(5) is bonded in a distorted trigonal planar geometry to one O(10), one O(12), one O(14), one O(16), and one O(8) atom. In the sixth Li site, Li(6) is bonded in a trigonal planar geometry to one O(13), one O(15), and one O(7) atom. In the seventh Li site, Li(7) is bonded in a 4-coordinate geometry to one O(1), one O(12), one O(13), one O(4), one O(6), and one O(7) atom. In the eighth Li site, Li(8) is bonded to one O(11), one O(14), one O(2), one O(3), one O(5), and one O(8) atom to form distorted LiO6 octahedra that share corners with three equivalent Mn(5)O6 octahedra, corners with three equivalent Mn(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, and edges with two equivalent Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the ninth Li site, Li(9) is bonded to one O(16), one O(2), one O(3), one O(5), one O(8), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Mn(3)O6 octahedra, corners with three equivalent Mn(4)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, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the tenth Li site, Li(10) is bonded to one O(1), one O(10), one O(15), one O(4), one O(6), and one O(7) atom to form distorted LiO6 octahedra that share corners with three equivalent Mn(3)O6 octahedra, corners with three equivalent Mn(4)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, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(11), one O(13), one O(15), one O(3), and one O(9) atom to form MnO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-6°. In the second Mn site, Mn(2) is bonded to one O(10), one O(12), one O(14), one O(16), one O(2), and one O(4) atom to form MnO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and edges with two equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-6°. In the third Mn site, Mn(3) is bonded to one O(1), one O(15), one O(3), one O(5), one O(7), and one O(9) atom to form distorted MnO6 octahedra that share corners with three equivalent Li(10)O6 octahedra, corners with three equivalent Li(9)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(16), one O(2), one O(4), one O(6), and one O(8) atom to form distorted MnO6 octahedra that share corners with three equivalent Li(10)O6 octahedra, corners with three equivalent Li(9)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(11), one O(13), one O(3), one O(5), and one O(7) atom to form MnO6 octahedra that share corners with three equivalent Li(8)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the sixth Mn site, Mn(6) is bonded to one O(12), one O(14), one O(2), one O(4), one O(6), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent Li(8)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the seventh Mn site, Mn(7) is bonded to one O(10), one O(12), one O(13), one O(15), one O(6), and one O(7) atom to form MnO6 octahedra that share  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Li(10)O6 octahedra. In the eighth Mn site, Mn(8) is bonded to one O(11), one O(14), one O(16), one O(5), one O(8), and one O(9) atom to form MnO6 octahedra that share  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Li(9)O6 octahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(10), one Li(7), one Mn(1), one Mn(3), and one Mn(5) atom to form a mixture of edge and corner-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second O site, O(2) is bonded to one Li(2), one Li(8), one Li(9), one Mn(2), one Mn(4), and one Mn(6) atom to form a mixture of edge and corner-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third O site, O(3) is bonded to one Li(2), one Li(8), one Li(9), one Mn(1), one Mn(3), and one Mn(5) atom to form a mixture of edge and corner-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fourth O site, O(4) is bonded to one Li(1), one Li(10), one Li(7), one Mn(2), one Mn(4), and one Mn(6) atom to form a mixture of distorted edge and corner-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fifth O site, O(5) is bonded to one Li(4), one Li(8), one Li(9), one Mn(3), one Mn(5), and one Mn(8) atom to form a mixture of distorted edge and corner-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the sixth O site, O(6) is bonded to one Li(10), one Li(3), one Li(7), one Mn(4), one Mn(6), and one Mn(7) atom to form a mixture of distorted edge and corner-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-86°. In the seventh O site, O(7) is bonded to one Li(10), one Li(6), one Li(7), one Mn(3), one Mn(5), and one Mn(7) atom to form a mixture of distorted edge and corner-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-86°. In the eighth O site, O(8) is bonded to one Li(5), one Li(8), one Li(9), one Mn(4), one Mn(6), and one Mn(8) atom to form a mixture of distorted edge and corner-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the ninth O site, O(9) is bonded to one Li(2), one Li(4), one Li(9), one Mn(1), one Mn(3), and one Mn(8) atom to form a mixture of distorted edge and corner-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-86°. In the tenth O site, O(10) is bonded in a 7-coordinate geometry to one Li(1), one Li(10), one Li(3), one Li(5), one Mn(2), one Mn(4), and one Mn(7) atom. In the eleventh O site, O(11) is bonded to one Li(2), one Li(4), one Li(8), one Mn(1), one Mn(5), and one Mn(8) atom to form a mixture of distorted edge and corner-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-85°. In the twelfth O site, O(12) is bonded in a 7-coordinate geometry to one Li(1), one Li(3), one Li(5), one Li(7), one Mn(2), one Mn(6), and one Mn(7) atom. In the thirteenth O site, O(13) is bonded in a 7-coordinate geometry to one Li(1), one Li(4), one Li(6), one Li(7), one Mn(1), one Mn(5), and one Mn(7) atom. In the fourteenth O site, O(14) is bonded to one Li(2), one Li(5), one Li(8), one Mn(2), one Mn(6), and one Mn(8) atom to form a mixture of distorted edge and corner-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-85°. In the fifteenth O site, O(15) is bonded in a 7-coordinate geometry to one Li(1), one Li(10), one Li(4), one Li(6), one Mn(1), one Mn(3), and one Mn(7) atom. In the sixteenth O site, O(16) is bonded to one Li(2), one Li(5), one Li(9), one Mn(2), one Mn(4), and one Mn(8) atom to form a mixture of distorted edge and corner-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-86°. is represented by the CIF file [CIF]
data_Li5Mn4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.821
_cell_length_b   10.504
_cell_length_c   6.366
_cell_angle_alpha   96.074
_cell_angle_beta   62.704
_cell_angle_gamma   105.920
_symmetry_Int_Tables_number   1
_cell_volume   332.532
_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  0.001  0.251  0.249  1.0
  Li  Li1  1  0.999  0.750  0.750  1.0
  Li  Li2  1  0.903  0.396  0.577  1.0
  Li  Li3  1  0.918  0.914  0.067  1.0
  Li  Li4  1  0.082  0.586  0.433  1.0
  Li  Li5  1  0.096  0.105  0.924  1.0
  Li  Li6  1  0.500  0.250  0.750  1.0
  Li  Li7  1  0.500  0.750  0.250  1.0
  Li  Li8  1  1.000  0.750  0.250  1.0
  Li  Li9  1  0.000  0.250  0.750  1.0
  Mn  Mn10  1  0.499  0.996  0.999  1.0
  Mn  Mn11  1  0.502  0.504  0.500  1.0
  Mn  Mn12  1  0.509  0.003  0.488  1.0
  Mn  Mn13  1  0.491  0.497  0.012  1.0
  Mn  Mn14  1  0.006  0.003  0.490  1.0
  Mn  Mn15  1  0.994  0.497  0.010  1.0
  Mn  Mn16  1  0.500  0.250  0.250  1.0
  Mn  Mn17  1  0.500  0.750  0.750  1.0
  O  O18  1  0.747  0.122  0.609  1.0
  O  O19  1  0.736  0.616  0.120  1.0
  O  O20  1  0.263  0.884  0.380  1.0
  O  O21  1  0.254  0.378  0.892  1.0
  O  O22  1  0.731  0.876  0.394  1.0
  O  O23  1  0.726  0.374  0.901  1.0
  O  O24  1  0.273  0.125  0.600  1.0
  O  O25  1  0.270  0.624  0.105  1.0
  O  O26  1  0.261  0.869  0.884  1.0
  O  O27  1  0.254  0.390  0.390  1.0
  O  O28  1  0.734  0.874  0.868  1.0
  O  O29  1  0.750  0.392  0.379  1.0
  O  O30  1  0.250  0.108  0.122  1.0
  O  O31  1  0.267  0.627  0.631  1.0
  O  O32  1  0.746  0.110  0.110  1.0
  O  O33  1  0.739  0.631  0.615  1.0
[/CIF]
.