The structure described by Li3Mn4O8 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form distorted LiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)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 6-12°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form LiO6 octahedra that share corners with three equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(4)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)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 7-16°. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(4)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)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 7-16°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one 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(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-16°. In the third Mn site, Mn(3) is bonded to one O(1), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one 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 Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-12°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-16°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Mn(2), one Mn(3), and one Mn(4) atom to form OLi3Mn3 octahedra that share corners with three equivalent O(3)Li3Mn3 octahedra, corners with three equivalent O(4)Li2Mn3 square pyramids,  an edgeedge with one O(3)Li3Mn3 octahedra,  an edgeedge with one O(4)Li2Mn3 square pyramid, edges with two equivalent O(2)Li2Mn3 square pyramids, edges with two equivalent O(5)Li2Mn3 square pyramids, edges with two equivalent O(6)Li2Mn3 square pyramids, edges with two equivalent O(7)Li2Mn3 square pyramids, and edges with two equivalent O(8)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 1-8°. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Mn(1), one Mn(2), and one Mn(4) atom to form OLi2Mn3 square pyramids that share corners with three equivalent O(3)Li3Mn3 octahedra,  a cornercorner with one O(5)Li2Mn3 square pyramid,  a cornercorner with one O(6)Li2Mn3 square pyramid,  a cornercorner with one O(7)Li2Mn3 square pyramid,  a cornercorner with one O(8)Li2Mn3 square pyramid, corners with two equivalent O(4)Li2Mn3 square pyramids,  an edgeedge with one O(3)Li3Mn3 octahedra, edges with two equivalent O(1)Li3Mn3 octahedra,  an edgeedge with one O(4)Li2Mn3 square pyramid,  an edgeedge with one O(5)Li2Mn3 square pyramid,  an edgeedge with one O(6)Li2Mn3 square pyramid,  an edgeedge with one O(7)Li2Mn3 square pyramid, and  an edgeedge with one O(8)Li2Mn3 square pyramid. The corner-sharing octahedral tilt angles are 2°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Mn(1), one Mn(2), and one Mn(4) atom to form distorted OLi3Mn3 octahedra that share corners with three equivalent O(1)Li3Mn3 octahedra, corners with three equivalent O(2)Li2Mn3 square pyramids,  an edgeedge with one O(1)Li3Mn3 octahedra,  an edgeedge with one O(2)Li2Mn3 square pyramid, edges with two equivalent O(4)Li2Mn3 square pyramids, edges with two equivalent O(5)Li2Mn3 square pyramids, edges with two equivalent O(6)Li2Mn3 square pyramids, edges with two equivalent O(7)Li2Mn3 square pyramids, and edges with two equivalent O(8)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 1-8°. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), one Mn(2), one Mn(3), and one Mn(4) atom to form OLi2Mn3 square pyramids that share corners with three equivalent O(1)Li3Mn3 octahedra,  a cornercorner with one O(5)Li2Mn3 square pyramid,  a cornercorner with one O(6)Li2Mn3 square pyramid,  a cornercorner with one O(7)Li2Mn3 square pyramid,  a cornercorner with one O(8)Li2Mn3 square pyramid, corners with two equivalent O(2)Li2Mn3 square pyramids,  an edgeedge with one O(1)Li3Mn3 octahedra, edges with two equivalent O(3)Li3Mn3 octahedra,  an edgeedge with one O(2)Li2Mn3 square pyramid,  an edgeedge with one O(5)Li2Mn3 square pyramid,  an edgeedge with one O(6)Li2Mn3 square pyramid,  an edgeedge with one O(7)Li2Mn3 square pyramid, and  an edgeedge with one O(8)Li2Mn3 square pyramid. The corner-sharing octahedral tilt angles range from 2-4°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Mn(1), one Mn(3), and one Mn(4) atom to form OLi2Mn3 square pyramids that share  a cornercorner with one O(2)Li2Mn3 square pyramid,  a cornercorner with one O(4)Li2Mn3 square pyramid,  a cornercorner with one O(6)Li2Mn3 square pyramid, corners with two equivalent O(7)Li2Mn3 square pyramids, corners with four equivalent O(8)Li2Mn3 square pyramids, edges with two equivalent O(1)Li3Mn3 octahedra, edges with two equivalent O(3)Li3Mn3 octahedra,  an edgeedge with one O(2)Li2Mn3 square pyramid,  an edgeedge with one O(4)Li2Mn3 square pyramid,  an edgeedge with one O(6)Li2Mn3 square pyramid, and  an edgeedge with one O(7)Li2Mn3 square pyramid. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Mn(1), one Mn(2), and one Mn(3) atom to form OLi2Mn3 square pyramids that share  a cornercorner with one O(2)Li2Mn3 square pyramid,  a cornercorner with one O(4)Li2Mn3 square pyramid,  a cornercorner with one O(5)Li2Mn3 square pyramid, corners with two equivalent O(8)Li2Mn3 square pyramids, corners with four equivalent O(7)Li2Mn3 square pyramids, edges with two equivalent O(1)Li3Mn3 octahedra, edges with two equivalent O(3)Li3Mn3 octahedra,  an edgeedge with one O(2)Li2Mn3 square pyramid,  an edgeedge with one O(4)Li2Mn3 square pyramid,  an edgeedge with one O(5)Li2Mn3 square pyramid, and  an edgeedge with one O(8)Li2Mn3 square pyramid. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Mn(1), one Mn(2), and one Mn(3) atom to form OLi2Mn3 square pyramids that share  a cornercorner with one O(2)Li2Mn3 square pyramid,  a cornercorner with one O(4)Li2Mn3 square pyramid,  a cornercorner with one O(8)Li2Mn3 square pyramid, corners with two equivalent O(5)Li2Mn3 square pyramids, corners with four equivalent O(6)Li2Mn3 square pyramids, edges with two equivalent O(1)Li3Mn3 octahedra, edges with two equivalent O(3)Li3Mn3 octahedra,  an edgeedge with one O(2)Li2Mn3 square pyramid,  an edgeedge with one O(4)Li2Mn3 square pyramid,  an edgeedge with one O(5)Li2Mn3 square pyramid, and  an edgeedge with one O(8)Li2Mn3 square pyramid. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Mn(1), one Mn(3), and one Mn(4) atom to form OLi2Mn3 square pyramids that share  a cornercorner with one O(2)Li2Mn3 square pyramid,  a cornercorner with one O(4)Li2Mn3 square pyramid,  a cornercorner with one O(7)Li2Mn3 square pyramid, corners with two equivalent O(6)Li2Mn3 square pyramids, corners with four equivalent O(5)Li2Mn3 square pyramids, edges with two equivalent O(1)Li3Mn3 octahedra, edges with two equivalent O(3)Li3Mn3 octahedra,  an edgeedge with one O(2)Li2Mn3 square pyramid,  an edgeedge with one O(4)Li2Mn3 square pyramid,  an edgeedge with one O(6)Li2Mn3 square pyramid, and  an edgeedge with one O(7)Li2Mn3 square pyramid. is represented by the CIF card [CIF]
data_Li3Mn4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.314
_cell_length_b   6.080
_cell_length_c   5.747
_cell_angle_alpha   117.736
_cell_angle_beta   90.091
_cell_angle_gamma   110.287
_symmetry_Int_Tables_number   1
_cell_volume   151.136
_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  0.513  0.492  0.246  1.0
  Li  Li1  1  0.499  0.999  0.752  1.0
  Li  Li2  1  0.499  0.999  0.247  1.0
  Mn  Mn3  1  0.009  0.006  0.503  1.0
  Mn  Mn4  1  0.000  0.500  0.998  1.0
  Mn  Mn5  1  0.989  0.992  0.996  1.0
  Mn  Mn6  1  0.001  0.500  0.502  1.0
  O  O7  1  0.770  0.283  0.141  1.0
  O  O8  1  0.803  0.240  0.619  1.0
  O  O9  1  0.210  0.758  0.380  1.0
  O  O10  1  0.213  0.727  0.864  1.0
  O  O11  1  0.771  0.785  0.629  1.0
  O  O12  1  0.773  0.785  0.157  1.0
  O  O13  1  0.225  0.216  0.864  1.0
  O  O14  1  0.226  0.217  0.351  1.0
[/CIF]
.
The structure described by Li3Mn4O8 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form distorted LiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)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 6-12°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form LiO6 octahedra that share corners with three equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(4)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)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 7-16°. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(4)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)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 7-16°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one 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(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-16°. In the third Mn site, Mn(3) is bonded to one O(1), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one 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 Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-12°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-16°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Mn(2), one Mn(3), and one Mn(4) atom to form OLi3Mn3 octahedra that share corners with three equivalent O(3)Li3Mn3 octahedra, corners with three equivalent O(4)Li2Mn3 square pyramids,  an edgeedge with one O(3)Li3Mn3 octahedra,  an edgeedge with one O(4)Li2Mn3 square pyramid, edges with two equivalent O(2)Li2Mn3 square pyramids, edges with two equivalent O(5)Li2Mn3 square pyramids, edges with two equivalent O(6)Li2Mn3 square pyramids, edges with two equivalent O(7)Li2Mn3 square pyramids, and edges with two equivalent O(8)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 1-8°. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Mn(1), one Mn(2), and one Mn(4) atom to form OLi2Mn3 square pyramids that share corners with three equivalent O(3)Li3Mn3 octahedra,  a cornercorner with one O(5)Li2Mn3 square pyramid,  a cornercorner with one O(6)Li2Mn3 square pyramid,  a cornercorner with one O(7)Li2Mn3 square pyramid,  a cornercorner with one O(8)Li2Mn3 square pyramid, corners with two equivalent O(4)Li2Mn3 square pyramids,  an edgeedge with one O(3)Li3Mn3 octahedra, edges with two equivalent O(1)Li3Mn3 octahedra,  an edgeedge with one O(4)Li2Mn3 square pyramid,  an edgeedge with one O(5)Li2Mn3 square pyramid,  an edgeedge with one O(6)Li2Mn3 square pyramid,  an edgeedge with one O(7)Li2Mn3 square pyramid, and  an edgeedge with one O(8)Li2Mn3 square pyramid. The corner-sharing octahedral tilt angles are 2°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Mn(1), one Mn(2), and one Mn(4) atom to form distorted OLi3Mn3 octahedra that share corners with three equivalent O(1)Li3Mn3 octahedra, corners with three equivalent O(2)Li2Mn3 square pyramids,  an edgeedge with one O(1)Li3Mn3 octahedra,  an edgeedge with one O(2)Li2Mn3 square pyramid, edges with two equivalent O(4)Li2Mn3 square pyramids, edges with two equivalent O(5)Li2Mn3 square pyramids, edges with two equivalent O(6)Li2Mn3 square pyramids, edges with two equivalent O(7)Li2Mn3 square pyramids, and edges with two equivalent O(8)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 1-8°. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), one Mn(2), one Mn(3), and one Mn(4) atom to form OLi2Mn3 square pyramids that share corners with three equivalent O(1)Li3Mn3 octahedra,  a cornercorner with one O(5)Li2Mn3 square pyramid,  a cornercorner with one O(6)Li2Mn3 square pyramid,  a cornercorner with one O(7)Li2Mn3 square pyramid,  a cornercorner with one O(8)Li2Mn3 square pyramid, corners with two equivalent O(2)Li2Mn3 square pyramids,  an edgeedge with one O(1)Li3Mn3 octahedra, edges with two equivalent O(3)Li3Mn3 octahedra,  an edgeedge with one O(2)Li2Mn3 square pyramid,  an edgeedge with one O(5)Li2Mn3 square pyramid,  an edgeedge with one O(6)Li2Mn3 square pyramid,  an edgeedge with one O(7)Li2Mn3 square pyramid, and  an edgeedge with one O(8)Li2Mn3 square pyramid. The corner-sharing octahedral tilt angles range from 2-4°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Mn(1), one Mn(3), and one Mn(4) atom to form OLi2Mn3 square pyramids that share  a cornercorner with one O(2)Li2Mn3 square pyramid,  a cornercorner with one O(4)Li2Mn3 square pyramid,  a cornercorner with one O(6)Li2Mn3 square pyramid, corners with two equivalent O(7)Li2Mn3 square pyramids, corners with four equivalent O(8)Li2Mn3 square pyramids, edges with two equivalent O(1)Li3Mn3 octahedra, edges with two equivalent O(3)Li3Mn3 octahedra,  an edgeedge with one O(2)Li2Mn3 square pyramid,  an edgeedge with one O(4)Li2Mn3 square pyramid,  an edgeedge with one O(6)Li2Mn3 square pyramid, and  an edgeedge with one O(7)Li2Mn3 square pyramid. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Mn(1), one Mn(2), and one Mn(3) atom to form OLi2Mn3 square pyramids that share  a cornercorner with one O(2)Li2Mn3 square pyramid,  a cornercorner with one O(4)Li2Mn3 square pyramid,  a cornercorner with one O(5)Li2Mn3 square pyramid, corners with two equivalent O(8)Li2Mn3 square pyramids, corners with four equivalent O(7)Li2Mn3 square pyramids, edges with two equivalent O(1)Li3Mn3 octahedra, edges with two equivalent O(3)Li3Mn3 octahedra,  an edgeedge with one O(2)Li2Mn3 square pyramid,  an edgeedge with one O(4)Li2Mn3 square pyramid,  an edgeedge with one O(5)Li2Mn3 square pyramid, and  an edgeedge with one O(8)Li2Mn3 square pyramid. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Mn(1), one Mn(2), and one Mn(3) atom to form OLi2Mn3 square pyramids that share  a cornercorner with one O(2)Li2Mn3 square pyramid,  a cornercorner with one O(4)Li2Mn3 square pyramid,  a cornercorner with one O(8)Li2Mn3 square pyramid, corners with two equivalent O(5)Li2Mn3 square pyramids, corners with four equivalent O(6)Li2Mn3 square pyramids, edges with two equivalent O(1)Li3Mn3 octahedra, edges with two equivalent O(3)Li3Mn3 octahedra,  an edgeedge with one O(2)Li2Mn3 square pyramid,  an edgeedge with one O(4)Li2Mn3 square pyramid,  an edgeedge with one O(5)Li2Mn3 square pyramid, and  an edgeedge with one O(8)Li2Mn3 square pyramid. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Mn(1), one Mn(3), and one Mn(4) atom to form OLi2Mn3 square pyramids that share  a cornercorner with one O(2)Li2Mn3 square pyramid,  a cornercorner with one O(4)Li2Mn3 square pyramid,  a cornercorner with one O(7)Li2Mn3 square pyramid, corners with two equivalent O(6)Li2Mn3 square pyramids, corners with four equivalent O(5)Li2Mn3 square pyramids, edges with two equivalent O(1)Li3Mn3 octahedra, edges with two equivalent O(3)Li3Mn3 octahedra,  an edgeedge with one O(2)Li2Mn3 square pyramid,  an edgeedge with one O(4)Li2Mn3 square pyramid,  an edgeedge with one O(6)Li2Mn3 square pyramid, and  an edgeedge with one O(7)Li2Mn3 square pyramid. is represented by the CIF card [CIF]
data_Li3Mn4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.314
_cell_length_b   6.080
_cell_length_c   5.747
_cell_angle_alpha   117.736
_cell_angle_beta   90.091
_cell_angle_gamma   110.287
_symmetry_Int_Tables_number   1
_cell_volume   151.136
_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  0.513  0.492  0.246  1.0
  Li  Li1  1  0.499  0.999  0.752  1.0
  Li  Li2  1  0.499  0.999  0.247  1.0
  Mn  Mn3  1  0.009  0.006  0.503  1.0
  Mn  Mn4  1  0.000  0.500  0.998  1.0
  Mn  Mn5  1  0.989  0.992  0.996  1.0
  Mn  Mn6  1  0.001  0.500  0.502  1.0
  O  O7  1  0.770  0.283  0.141  1.0
  O  O8  1  0.803  0.240  0.619  1.0
  O  O9  1  0.210  0.758  0.380  1.0
  O  O10  1  0.213  0.727  0.864  1.0
  O  O11  1  0.771  0.785  0.629  1.0
  O  O12  1  0.773  0.785  0.157  1.0
  O  O13  1  0.225  0.216  0.864  1.0
  O  O14  1  0.226  0.217  0.351  1.0
[/CIF]
.