The 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(11), one O(13), one O(15), one O(3), 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, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, edges with two equivalent Mn(7)O6 octahedra,  an edgeedge with one Li(3)O5 square pyramid,  an edgeedge with one Li(5)O5 square pyramid,  an edgeedge with one Li(10)O5 trigonal bipyramid, and  an edgeedge with one Li(9)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 5-7°. In the second Li site, Li(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 distorted LiO6 octahedra that share corners with three equivalent Mn(3)O6 octahedra, corners with three equivalent Mn(4)O6 octahedra,  a cornercorner with one Li(10)O5 trigonal bipyramid,  a cornercorner with one Li(9)O5 trigonal bipyramid, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(6)O6 octahedra, edges with two equivalent Mn(8)O6 octahedra,  an edgeedge with one Li(3)O5 square pyramid,  an edgeedge with one Li(5)O5 square pyramid,  a faceface with one Li(4)O4 tetrahedra, and  a faceface with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the third Li site, Li(3) is bonded to one O(11), one O(14), one O(16), one O(6), and one O(9) atom to form distorted LiO5 square pyramids that share  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra,  an edgeedge with one Li(6)O4 tetrahedra, and  an edgeedge with one Li(10)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 8-82°. In the fourth Li site, Li(4) is bonded to one O(10), one O(12), one O(2), and one O(5) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(6)O6 octahedra, corners with two equivalent Mn(8)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra,  an edgeedge with one Li(5)O5 square pyramid,  an edgeedge with one Li(9)O5 trigonal bipyramid, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-64°. In the fifth Li site, Li(5) is bonded to one O(10), one O(12), one O(13), one O(15), and one O(8) atom to form distorted LiO5 square pyramids that share  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Li(9)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 8-82°. In the sixth Li site, Li(6) is bonded to one O(14), one O(16), one O(4), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(6)O6 octahedra, corners with two equivalent Mn(8)O6 octahedra, corners with three equivalent Mn(4)O6 octahedra,  an edgeedge with one Li(3)O5 square pyramid,  an edgeedge with one Li(10)O5 trigonal bipyramid, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-64°. In the seventh Li site, Li(7) is bonded in a 5-coordinate geometry to one O(13), one O(2), one O(3), one O(5), and one O(8) atom. In the eighth Li site, Li(8) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(4), one O(6), and one O(7) atom. In the ninth Li site, Li(9) is bonded to one O(15), one O(2), one O(3), one O(5), and one O(8) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(6)O6 octahedra, corners with three equivalent Mn(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra,  an edgeedge with one Li(5)O5 square pyramid, and  an edgeedge with one Li(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 5-79°. In the tenth Li site, Li(10) is bonded to one O(1), one O(4), one O(6), one O(7), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Mn(6)O6 octahedra, corners with three equivalent Mn(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra,  an edgeedge with one Li(3)O5 square pyramid, and  an edgeedge with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 5-80°. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(12), one O(14), one O(16), one O(6), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent Li(3)O5 square pyramids, corners with three equivalent Li(5)O5 square pyramids, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  a cornercorner with one Li(10)O5 trigonal bipyramid,  a cornercorner with one Li(9)O5 trigonal bipyramid,  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 Mn(6)O6 octahedra, and edges with two equivalent Mn(8)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(11), one O(13), one O(15), one O(5), one O(7), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Li(3)O5 square pyramids, corners with two equivalent Li(5)O5 square pyramids,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, edges with two equivalent Mn(7)O6 octahedra,  an edgeedge with one Li(10)O5 trigonal bipyramid, and  an edgeedge with one Li(9)O5 trigonal bipyramid. In the third Mn site, Mn(3) is bonded to one O(10), one O(12), one O(13), one O(15), one O(2), and one O(3) atom to form distorted MnO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(9)O5 trigonal bipyramid,  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 two equivalent Li(5)O5 square pyramids, and  an edgeedge with one Li(9)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 4-8°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(11), one O(14), one O(16), one O(4), and one O(9) atom to form distorted MnO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(6)O4 tetrahedra,  a cornercorner with one Li(10)O5 trigonal bipyramid,  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 two equivalent Li(3)O5 square pyramids, and  an edgeedge with one Li(10)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 3-8°. In the fifth Mn site, Mn(5) 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 MnO6 octahedra that share  a cornercorner with one Li(3)O5 square pyramid,  a cornercorner with one Li(5)O5 square pyramid,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with three equivalent Li(10)O5 trigonal bipyramids, corners with three equivalent Li(9)O5 trigonal bipyramids,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(7)O6 octahedra. In the sixth Mn site, Mn(6) 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 MnO6 octahedra that share corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, corners with two equivalent Li(10)O5 trigonal bipyramids, corners with two equivalent Li(9)O5 trigonal bipyramids,  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 Mn(1)O6 octahedra, edges with two equivalent Mn(8)O6 octahedra,  an edgeedge with one Li(3)O5 square pyramid, and  an edgeedge with one Li(5)O5 square pyramid. In the seventh Mn site, Mn(7) 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  a cornercorner with one Li(3)O5 square pyramid,  a cornercorner with one Li(5)O5 square pyramid,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra,  an edgeedge with one Li(10)O5 trigonal bipyramid, and  an edgeedge with one Li(9)O5 trigonal bipyramid. In the eighth Mn site, Mn(8) 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 two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  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 Mn(1)O6 octahedra, edges with two equivalent Mn(6)O6 octahedra,  an edgeedge with one Li(3)O5 square pyramid,  an edgeedge with one Li(5)O5 square pyramid,  an edgeedge with one Li(10)O5 trigonal bipyramid, and  an edgeedge with one Li(9)O5 trigonal bipyramid. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(10), one Li(8), one Mn(4), one Mn(5), and one Mn(7) atom to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-86°. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(2), one Li(4), one Li(7), one Li(9), one Mn(3), one Mn(6), and one Mn(8) atom. In the third O site, O(3) is bonded to one Li(1), one Li(7), one Li(9), one Mn(3), one Mn(5), and one Mn(7) atom to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-86°. In the fourth O site, O(4) is bonded in a 7-coordinate geometry to one Li(10), one Li(2), one Li(6), one Li(8), one Mn(4), one Mn(6), and one Mn(8) atom. In the fifth O site, O(5) is bonded to one Li(4), one Li(7), one Li(9), one Mn(2), one Mn(5), and one Mn(7) atom to form a mixture of distorted corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-84°. In the sixth O site, O(6) is bonded to one Li(10), one Li(3), one Li(8), one Mn(1), one Mn(6), and one Mn(8) atom to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-88°. In the seventh O site, O(7) is bonded to one Li(10), one Li(6), one Li(8), one Mn(2), one Mn(5), and one Mn(7) atom to form a mixture of distorted corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-85°. In the eighth O site, O(8) is bonded to one Li(5), one Li(7), one Li(9), one Mn(1), one Mn(6), and one Mn(8) atom to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-88°. In the ninth O site, O(9) is bonded to one Li(1), one Li(10), one Li(3), one Mn(2), one Mn(4), and one Mn(5) atom to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-85°. In the tenth O site, O(10) is bonded to one Li(2), one Li(4), one Li(5), one Mn(1), one Mn(3), and one Mn(6) atom to form a mixture of distorted corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-88°. In the eleventh O site, O(11) is bonded to one Li(1), one Li(3), one Li(8), one Mn(2), one Mn(4), and one Mn(7) atom to form a mixture of distorted corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-84°. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to one Li(2), one Li(4), one Li(5), one Mn(1), one Mn(3), and one Mn(8) atom. In the thirteenth O site, O(13) is bonded to one Li(1), one Li(5), one Li(7), one Mn(2), one Mn(3), and one Mn(7) atom to form a mixture of distorted corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-84°. In the fourteenth O site, O(14) is bonded in a 6-coordinate geometry to one Li(2), one Li(3), one Li(6), one Mn(1), one Mn(4), and one Mn(8) atom. In the fifteenth O site, O(15) is bonded to one Li(1), one Li(5), one Li(9), one Mn(2), one Mn(3), and one Mn(5) atom to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-84°. In the sixteenth O site, O(16) is bonded to one Li(2), one Li(3), one Li(6), one Mn(1), one Mn(4), and one Mn(6) atom to form a mixture of distorted corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-88°. is represented by the CIF file [CIF]
data_Li5Mn4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.812
_cell_length_b   10.401
_cell_length_c   6.351
_cell_angle_alpha   98.909
_cell_angle_beta   117.355
_cell_angle_gamma   73.729
_symmetry_Int_Tables_number   1
_cell_volume   327.162
_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  0.750  0.250  0.751  1.0
  Li  Li1  1  0.248  0.750  0.249  1.0
  Li  Li2  1  0.534  0.511  0.580  1.0
  Li  Li3  1  0.185  0.958  0.300  1.0
  Li  Li4  1  0.966  0.989  0.920  1.0
  Li  Li5  1  0.316  0.542  0.200  1.0
  Li  Li6  1  0.977  0.015  0.541  1.0
  Li  Li7  1  0.523  0.485  0.958  1.0
  Li  Li8  1  0.542  0.023  0.564  1.0
  Li  Li9  1  0.958  0.477  0.936  1.0
  Mn  Mn10  1  0.750  0.750  0.250  1.0
  Mn  Mn11  1  0.250  0.250  0.750  1.0
  Mn  Mn12  1  0.502  0.002  0.005  1.0
  Mn  Mn13  1  0.998  0.498  0.495  1.0
  Mn  Mn14  1  0.750  0.250  0.250  1.0
  Mn  Mn15  1  0.250  0.750  0.750  1.0
  Mn  Mn16  1  0.250  0.250  0.250  1.0
  Mn  Mn17  1  0.750  0.750  0.750  1.0
  O  O18  1  0.891  0.366  0.130  1.0
  O  O19  1  0.385  0.868  0.612  1.0
  O  O20  1  0.609  0.134  0.370  1.0
  O  O21  1  0.115  0.632  0.888  1.0
  O  O22  1  0.137  0.139  0.389  1.0
  O  O23  1  0.632  0.632  0.872  1.0
  O  O24  1  0.363  0.361  0.111  1.0
  O  O25  1  0.868  0.868  0.628  1.0
  O  O26  1  0.893  0.373  0.623  1.0
  O  O27  1  0.360  0.884  0.098  1.0
  O  O28  1  0.360  0.377  0.636  1.0
  O  O29  1  0.863  0.889  0.117  1.0
  O  O30  1  0.140  0.123  0.864  1.0
  O  O31  1  0.637  0.611  0.383  1.0
  O  O32  1  0.608  0.127  0.877  1.0
  O  O33  1  0.140  0.616  0.402  1.0
[/CIF]
.
The 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(11), one O(13), one O(15), one O(3), 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, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, edges with two equivalent Mn(7)O6 octahedra,  an edgeedge with one Li(3)O5 square pyramid,  an edgeedge with one Li(5)O5 square pyramid,  an edgeedge with one Li(10)O5 trigonal bipyramid, and  an edgeedge with one Li(9)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 5-7°. In the second Li site, Li(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 distorted LiO6 octahedra that share corners with three equivalent Mn(3)O6 octahedra, corners with three equivalent Mn(4)O6 octahedra,  a cornercorner with one Li(10)O5 trigonal bipyramid,  a cornercorner with one Li(9)O5 trigonal bipyramid, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(6)O6 octahedra, edges with two equivalent Mn(8)O6 octahedra,  an edgeedge with one Li(3)O5 square pyramid,  an edgeedge with one Li(5)O5 square pyramid,  a faceface with one Li(4)O4 tetrahedra, and  a faceface with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the third Li site, Li(3) is bonded to one O(11), one O(14), one O(16), one O(6), and one O(9) atom to form distorted LiO5 square pyramids that share  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra,  an edgeedge with one Li(6)O4 tetrahedra, and  an edgeedge with one Li(10)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 8-82°. In the fourth Li site, Li(4) is bonded to one O(10), one O(12), one O(2), and one O(5) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(6)O6 octahedra, corners with two equivalent Mn(8)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra,  an edgeedge with one Li(5)O5 square pyramid,  an edgeedge with one Li(9)O5 trigonal bipyramid, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-64°. In the fifth Li site, Li(5) is bonded to one O(10), one O(12), one O(13), one O(15), and one O(8) atom to form distorted LiO5 square pyramids that share  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Li(9)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 8-82°. In the sixth Li site, Li(6) is bonded to one O(14), one O(16), one O(4), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(6)O6 octahedra, corners with two equivalent Mn(8)O6 octahedra, corners with three equivalent Mn(4)O6 octahedra,  an edgeedge with one Li(3)O5 square pyramid,  an edgeedge with one Li(10)O5 trigonal bipyramid, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-64°. In the seventh Li site, Li(7) is bonded in a 5-coordinate geometry to one O(13), one O(2), one O(3), one O(5), and one O(8) atom. In the eighth Li site, Li(8) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(4), one O(6), and one O(7) atom. In the ninth Li site, Li(9) is bonded to one O(15), one O(2), one O(3), one O(5), and one O(8) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(6)O6 octahedra, corners with three equivalent Mn(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra,  an edgeedge with one Li(5)O5 square pyramid, and  an edgeedge with one Li(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 5-79°. In the tenth Li site, Li(10) is bonded to one O(1), one O(4), one O(6), one O(7), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Mn(6)O6 octahedra, corners with three equivalent Mn(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra,  an edgeedge with one Li(3)O5 square pyramid, and  an edgeedge with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 5-80°. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(12), one O(14), one O(16), one O(6), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent Li(3)O5 square pyramids, corners with three equivalent Li(5)O5 square pyramids, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  a cornercorner with one Li(10)O5 trigonal bipyramid,  a cornercorner with one Li(9)O5 trigonal bipyramid,  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 Mn(6)O6 octahedra, and edges with two equivalent Mn(8)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(11), one O(13), one O(15), one O(5), one O(7), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Li(3)O5 square pyramids, corners with two equivalent Li(5)O5 square pyramids,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, edges with two equivalent Mn(7)O6 octahedra,  an edgeedge with one Li(10)O5 trigonal bipyramid, and  an edgeedge with one Li(9)O5 trigonal bipyramid. In the third Mn site, Mn(3) is bonded to one O(10), one O(12), one O(13), one O(15), one O(2), and one O(3) atom to form distorted MnO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(9)O5 trigonal bipyramid,  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 two equivalent Li(5)O5 square pyramids, and  an edgeedge with one Li(9)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 4-8°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(11), one O(14), one O(16), one O(4), and one O(9) atom to form distorted MnO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(6)O4 tetrahedra,  a cornercorner with one Li(10)O5 trigonal bipyramid,  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 two equivalent Li(3)O5 square pyramids, and  an edgeedge with one Li(10)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 3-8°. In the fifth Mn site, Mn(5) 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 MnO6 octahedra that share  a cornercorner with one Li(3)O5 square pyramid,  a cornercorner with one Li(5)O5 square pyramid,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with three equivalent Li(10)O5 trigonal bipyramids, corners with three equivalent Li(9)O5 trigonal bipyramids,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(7)O6 octahedra. In the sixth Mn site, Mn(6) 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 MnO6 octahedra that share corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, corners with two equivalent Li(10)O5 trigonal bipyramids, corners with two equivalent Li(9)O5 trigonal bipyramids,  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 Mn(1)O6 octahedra, edges with two equivalent Mn(8)O6 octahedra,  an edgeedge with one Li(3)O5 square pyramid, and  an edgeedge with one Li(5)O5 square pyramid. In the seventh Mn site, Mn(7) 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  a cornercorner with one Li(3)O5 square pyramid,  a cornercorner with one Li(5)O5 square pyramid,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra,  an edgeedge with one Li(10)O5 trigonal bipyramid, and  an edgeedge with one Li(9)O5 trigonal bipyramid. In the eighth Mn site, Mn(8) 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 two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  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 Mn(1)O6 octahedra, edges with two equivalent Mn(6)O6 octahedra,  an edgeedge with one Li(3)O5 square pyramid,  an edgeedge with one Li(5)O5 square pyramid,  an edgeedge with one Li(10)O5 trigonal bipyramid, and  an edgeedge with one Li(9)O5 trigonal bipyramid. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(10), one Li(8), one Mn(4), one Mn(5), and one Mn(7) atom to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-86°. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(2), one Li(4), one Li(7), one Li(9), one Mn(3), one Mn(6), and one Mn(8) atom. In the third O site, O(3) is bonded to one Li(1), one Li(7), one Li(9), one Mn(3), one Mn(5), and one Mn(7) atom to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-86°. In the fourth O site, O(4) is bonded in a 7-coordinate geometry to one Li(10), one Li(2), one Li(6), one Li(8), one Mn(4), one Mn(6), and one Mn(8) atom. In the fifth O site, O(5) is bonded to one Li(4), one Li(7), one Li(9), one Mn(2), one Mn(5), and one Mn(7) atom to form a mixture of distorted corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-84°. In the sixth O site, O(6) is bonded to one Li(10), one Li(3), one Li(8), one Mn(1), one Mn(6), and one Mn(8) atom to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-88°. In the seventh O site, O(7) is bonded to one Li(10), one Li(6), one Li(8), one Mn(2), one Mn(5), and one Mn(7) atom to form a mixture of distorted corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-85°. In the eighth O site, O(8) is bonded to one Li(5), one Li(7), one Li(9), one Mn(1), one Mn(6), and one Mn(8) atom to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-88°. In the ninth O site, O(9) is bonded to one Li(1), one Li(10), one Li(3), one Mn(2), one Mn(4), and one Mn(5) atom to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-85°. In the tenth O site, O(10) is bonded to one Li(2), one Li(4), one Li(5), one Mn(1), one Mn(3), and one Mn(6) atom to form a mixture of distorted corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-88°. In the eleventh O site, O(11) is bonded to one Li(1), one Li(3), one Li(8), one Mn(2), one Mn(4), and one Mn(7) atom to form a mixture of distorted corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-84°. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to one Li(2), one Li(4), one Li(5), one Mn(1), one Mn(3), and one Mn(8) atom. In the thirteenth O site, O(13) is bonded to one Li(1), one Li(5), one Li(7), one Mn(2), one Mn(3), and one Mn(7) atom to form a mixture of distorted corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-84°. In the fourteenth O site, O(14) is bonded in a 6-coordinate geometry to one Li(2), one Li(3), one Li(6), one Mn(1), one Mn(4), and one Mn(8) atom. In the fifteenth O site, O(15) is bonded to one Li(1), one Li(5), one Li(9), one Mn(2), one Mn(3), and one Mn(5) atom to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-84°. In the sixteenth O site, O(16) is bonded to one Li(2), one Li(3), one Li(6), one Mn(1), one Mn(4), and one Mn(6) atom to form a mixture of distorted corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-88°. is represented by the CIF file [CIF]
data_Li5Mn4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.812
_cell_length_b   10.401
_cell_length_c   6.351
_cell_angle_alpha   98.909
_cell_angle_beta   117.355
_cell_angle_gamma   73.729
_symmetry_Int_Tables_number   1
_cell_volume   327.162
_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  0.750  0.250  0.751  1.0
  Li  Li1  1  0.248  0.750  0.249  1.0
  Li  Li2  1  0.534  0.511  0.580  1.0
  Li  Li3  1  0.185  0.958  0.300  1.0
  Li  Li4  1  0.966  0.989  0.920  1.0
  Li  Li5  1  0.316  0.542  0.200  1.0
  Li  Li6  1  0.977  0.015  0.541  1.0
  Li  Li7  1  0.523  0.485  0.958  1.0
  Li  Li8  1  0.542  0.023  0.564  1.0
  Li  Li9  1  0.958  0.477  0.936  1.0
  Mn  Mn10  1  0.750  0.750  0.250  1.0
  Mn  Mn11  1  0.250  0.250  0.750  1.0
  Mn  Mn12  1  0.502  0.002  0.005  1.0
  Mn  Mn13  1  0.998  0.498  0.495  1.0
  Mn  Mn14  1  0.750  0.250  0.250  1.0
  Mn  Mn15  1  0.250  0.750  0.750  1.0
  Mn  Mn16  1  0.250  0.250  0.250  1.0
  Mn  Mn17  1  0.750  0.750  0.750  1.0
  O  O18  1  0.891  0.366  0.130  1.0
  O  O19  1  0.385  0.868  0.612  1.0
  O  O20  1  0.609  0.134  0.370  1.0
  O  O21  1  0.115  0.632  0.888  1.0
  O  O22  1  0.137  0.139  0.389  1.0
  O  O23  1  0.632  0.632  0.872  1.0
  O  O24  1  0.363  0.361  0.111  1.0
  O  O25  1  0.868  0.868  0.628  1.0
  O  O26  1  0.893  0.373  0.623  1.0
  O  O27  1  0.360  0.884  0.098  1.0
  O  O28  1  0.360  0.377  0.636  1.0
  O  O29  1  0.863  0.889  0.117  1.0
  O  O30  1  0.140  0.123  0.864  1.0
  O  O31  1  0.637  0.611  0.383  1.0
  O  O32  1  0.608  0.127  0.877  1.0
  O  O33  1  0.140  0.616  0.402  1.0
[/CIF]
.