The crystal structure described by Li4Mn3O7 crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(6) atoms to form LiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Li(2)O5 square pyramids,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mn(2)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  an edgeedge with one Li(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 5-17°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(7) atom to form distorted LiO5 square pyramids that share  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Mn(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-89°. In the third Li site, Li(3) is bonded to one O(2), one O(3), one O(5), one O(7), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Mn(3)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(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Li(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 2-9°. In the fourth Li site, Li(4) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with two equivalent Li(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 5-8°. In the fifth Li site, Li(5) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(2)O5 square pyramids, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and edges with two equivalent Li(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 7-8°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(4), one O(6), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Li(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 2-9°. In the second Mn site, Mn(2) is bonded to one O(4), one O(6), two equivalent O(3), and two equivalent O(7) atoms to form MnO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(2)O5 square pyramids,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with three equivalent Mn(3)O6 octahedra, and  an edgeedge with one Li(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 5-17°. In the third Mn site, Mn(3) 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  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with four equivalent Li(2)O5 square pyramids,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)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 three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(5), two equivalent Li(1), one Mn(1), and one Mn(3) atom to form OLi4Mn2 octahedra that share  a cornercorner with one O(1)Li4Mn2 octahedra,  a cornercorner with one O(2)Li4Mn2 octahedra,  a cornercorner with one O(5)Li4Mn2 octahedra, corners with two equivalent O(7)Li3Mn3 octahedra, corners with two equivalent O(6)Li2Mn3 square pyramids,  an edgeedge with one O(4)Li3Mn3 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra, edges with two equivalent O(3)Li3Mn3 octahedra, edges with two equivalent O(2)Li4Mn2 octahedra, edges with three equivalent O(5)Li4Mn2 octahedra, and edges with two equivalent O(6)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 0-12°. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Li(4), one Li(5), one Mn(1), and one Mn(3) atom to form OLi4Mn2 octahedra that share  a cornercorner with one O(3)Li3Mn3 octahedra,  a cornercorner with one O(7)Li3Mn3 octahedra,  a cornercorner with one O(1)Li4Mn2 octahedra, corners with two equivalent O(2)Li4Mn2 octahedra,  an edgeedge with one O(3)Li3Mn3 octahedra, edges with two equivalent O(7)Li3Mn3 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with three equivalent O(4)Li3Mn3 octahedra, edges with three equivalent O(5)Li4Mn2 octahedra, and  an edgeedge with one O(6)Li2Mn3 square pyramid. The corner-sharing octahedral tilt angles range from 0-6°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Mn(3), and two equivalent Mn(2) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(4)Li3Mn3 octahedra,  a cornercorner with one O(7)Li3Mn3 octahedra,  a cornercorner with one O(2)Li4Mn2 octahedra,  a cornercorner with one O(5)Li4Mn2 octahedra, corners with three equivalent O(6)Li2Mn3 square pyramids,  an edgeedge with one O(3)Li3Mn3 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra,  an edgeedge with one O(5)Li4Mn2 octahedra, edges with two equivalent O(4)Li3Mn3 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with three equivalent O(7)Li3Mn3 octahedra, and  an edgeedge with one O(6)Li2Mn3 square pyramid. The corner-sharing octahedral tilt angles range from 3-5°. In the fourth O site, O(4) is bonded to one Li(4), two equivalent Li(3), one Mn(1), one Mn(2), and one Mn(3) atom to form OLi3Mn3 octahedra that share  a cornercorner with one O(3)Li3Mn3 octahedra,  a cornercorner with one O(4)Li3Mn3 octahedra,  a cornercorner with one O(7)Li3Mn3 octahedra, corners with two equivalent O(5)Li4Mn2 octahedra,  a cornercorner with one O(6)Li2Mn3 square pyramid,  an edgeedge with one O(4)Li3Mn3 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra,  an edgeedge with one O(5)Li4Mn2 octahedra, edges with two equivalent O(3)Li3Mn3 octahedra, edges with three equivalent O(7)Li3Mn3 octahedra, edges with three equivalent O(2)Li4Mn2 octahedra, and  an edgeedge with one O(6)Li2Mn3 square pyramid. The corner-sharing octahedral tilt angles range from 0-10°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), one Li(5), and two equivalent Mn(1) atoms to form OLi4Mn2 octahedra that share  a cornercorner with one O(3)Li3Mn3 octahedra,  a cornercorner with one O(1)Li4Mn2 octahedra,  a cornercorner with one O(5)Li4Mn2 octahedra, corners with two equivalent O(4)Li3Mn3 octahedra, corners with two equivalent O(6)Li2Mn3 square pyramids,  an edgeedge with one O(3)Li3Mn3 octahedra,  an edgeedge with one O(4)Li3Mn3 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(5)Li4Mn2 octahedra, edges with three equivalent O(1)Li4Mn2 octahedra, edges with three equivalent O(2)Li4Mn2 octahedra, and  an edgeedge with one O(6)Li2Mn3 square pyramid. The corner-sharing octahedral tilt angles range from 0-10°. In the sixth O site, O(6) is bonded to two equivalent Li(1), one Mn(1), one Mn(2), and one Mn(3) atom to form distorted OLi2Mn3 square pyramids that share  a cornercorner with one O(4)Li3Mn3 octahedra,  a cornercorner with one O(7)Li3Mn3 octahedra, corners with two equivalent O(1)Li4Mn2 octahedra, corners with two equivalent O(5)Li4Mn2 octahedra, corners with three equivalent O(3)Li3Mn3 octahedra,  an edgeedge with one O(3)Li3Mn3 octahedra,  an edgeedge with one O(4)Li3Mn3 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra,  an edgeedge with one O(5)Li4Mn2 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, and  an edgeedge with one O(6)Li2Mn3 square pyramid. The corner-sharing octahedral tilt angles range from 1-86°. In the seventh O site, O(7) is bonded to one Li(2), one Li(3), one Li(4), one Mn(3), and two equivalent Mn(2) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(3)Li3Mn3 octahedra,  a cornercorner with one O(4)Li3Mn3 octahedra,  a cornercorner with one O(7)Li3Mn3 octahedra,  a cornercorner with one O(2)Li4Mn2 octahedra, corners with two equivalent O(1)Li4Mn2 octahedra,  a cornercorner with one O(6)Li2Mn3 square pyramid,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(5)Li4Mn2 octahedra, edges with two equivalent O(2)Li4Mn2 octahedra, edges with three equivalent O(3)Li3Mn3 octahedra, edges with three equivalent O(4)Li3Mn3 octahedra, and  an edgeedge with one O(6)Li2Mn3 square pyramid. The corner-sharing octahedral tilt angles range from 0-12°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Mn3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.081
_cell_length_b   6.945
_cell_length_c   7.728
_cell_angle_alpha   83.243
_cell_angle_beta   75.985
_cell_angle_gamma   79.193
_symmetry_Int_Tables_number   1
_cell_volume   259.137
_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  0.705  0.065  0.570  1.0
  Li  Li1  1  0.836  0.762  0.287  1.0
  Li  Li2  1  0.568  0.360  0.849  1.0
  Li  Li3  1  0.432  0.640  0.151  1.0
  Li  Li4  1  0.295  0.935  0.430  1.0
  Li  Li5  1  0.164  0.238  0.713  1.0
  Li  Li6  1  0.000  0.500  0.000  1.0
  Li  Li7  1  0.500  0.500  0.500  1.0
  Mn  Mn8  1  0.930  0.631  0.640  1.0
  Mn  Mn9  1  0.070  0.369  0.360  1.0
  Mn  Mn10  1  0.216  0.073  0.073  1.0
  Mn  Mn11  1  0.355  0.772  0.780  1.0
  Mn  Mn12  1  0.645  0.228  0.220  1.0
  Mn  Mn13  1  0.784  0.927  0.927  1.0
  O  O14  1  0.612  0.783  0.551  1.0
  O  O15  1  0.774  0.495  0.257  1.0
  O  O16  1  0.472  0.072  0.835  1.0
  O  O17  1  0.327  0.360  0.126  1.0
  O  O18  1  0.153  0.620  0.400  1.0
  O  O19  1  0.027  0.890  0.681  1.0
  O  O20  1  0.899  0.206  0.982  1.0
  O  O21  1  0.847  0.380  0.600  1.0
  O  O22  1  0.973  0.110  0.319  1.0
  O  O23  1  0.673  0.640  0.874  1.0
  O  O24  1  0.528  0.928  0.165  1.0
  O  O25  1  0.388  0.217  0.449  1.0
  O  O26  1  0.226  0.505  0.743  1.0
  O  O27  1  0.101  0.794  0.018  1.0
[/CIF]
.
The crystal structure described by Li4Mn3O7 crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(6) atoms to form LiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Li(2)O5 square pyramids,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mn(2)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  an edgeedge with one Li(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 5-17°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(7) atom to form distorted LiO5 square pyramids that share  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Mn(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-89°. In the third Li site, Li(3) is bonded to one O(2), one O(3), one O(5), one O(7), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Mn(3)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(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Li(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 2-9°. In the fourth Li site, Li(4) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with two equivalent Li(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 5-8°. In the fifth Li site, Li(5) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(2)O5 square pyramids, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and edges with two equivalent Li(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 7-8°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(4), one O(6), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Li(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 2-9°. In the second Mn site, Mn(2) is bonded to one O(4), one O(6), two equivalent O(3), and two equivalent O(7) atoms to form MnO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(2)O5 square pyramids,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with three equivalent Mn(3)O6 octahedra, and  an edgeedge with one Li(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 5-17°. In the third Mn site, Mn(3) 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  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with four equivalent Li(2)O5 square pyramids,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)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 three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(5), two equivalent Li(1), one Mn(1), and one Mn(3) atom to form OLi4Mn2 octahedra that share  a cornercorner with one O(1)Li4Mn2 octahedra,  a cornercorner with one O(2)Li4Mn2 octahedra,  a cornercorner with one O(5)Li4Mn2 octahedra, corners with two equivalent O(7)Li3Mn3 octahedra, corners with two equivalent O(6)Li2Mn3 square pyramids,  an edgeedge with one O(4)Li3Mn3 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra, edges with two equivalent O(3)Li3Mn3 octahedra, edges with two equivalent O(2)Li4Mn2 octahedra, edges with three equivalent O(5)Li4Mn2 octahedra, and edges with two equivalent O(6)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 0-12°. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Li(4), one Li(5), one Mn(1), and one Mn(3) atom to form OLi4Mn2 octahedra that share  a cornercorner with one O(3)Li3Mn3 octahedra,  a cornercorner with one O(7)Li3Mn3 octahedra,  a cornercorner with one O(1)Li4Mn2 octahedra, corners with two equivalent O(2)Li4Mn2 octahedra,  an edgeedge with one O(3)Li3Mn3 octahedra, edges with two equivalent O(7)Li3Mn3 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with three equivalent O(4)Li3Mn3 octahedra, edges with three equivalent O(5)Li4Mn2 octahedra, and  an edgeedge with one O(6)Li2Mn3 square pyramid. The corner-sharing octahedral tilt angles range from 0-6°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Mn(3), and two equivalent Mn(2) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(4)Li3Mn3 octahedra,  a cornercorner with one O(7)Li3Mn3 octahedra,  a cornercorner with one O(2)Li4Mn2 octahedra,  a cornercorner with one O(5)Li4Mn2 octahedra, corners with three equivalent O(6)Li2Mn3 square pyramids,  an edgeedge with one O(3)Li3Mn3 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra,  an edgeedge with one O(5)Li4Mn2 octahedra, edges with two equivalent O(4)Li3Mn3 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with three equivalent O(7)Li3Mn3 octahedra, and  an edgeedge with one O(6)Li2Mn3 square pyramid. The corner-sharing octahedral tilt angles range from 3-5°. In the fourth O site, O(4) is bonded to one Li(4), two equivalent Li(3), one Mn(1), one Mn(2), and one Mn(3) atom to form OLi3Mn3 octahedra that share  a cornercorner with one O(3)Li3Mn3 octahedra,  a cornercorner with one O(4)Li3Mn3 octahedra,  a cornercorner with one O(7)Li3Mn3 octahedra, corners with two equivalent O(5)Li4Mn2 octahedra,  a cornercorner with one O(6)Li2Mn3 square pyramid,  an edgeedge with one O(4)Li3Mn3 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra,  an edgeedge with one O(5)Li4Mn2 octahedra, edges with two equivalent O(3)Li3Mn3 octahedra, edges with three equivalent O(7)Li3Mn3 octahedra, edges with three equivalent O(2)Li4Mn2 octahedra, and  an edgeedge with one O(6)Li2Mn3 square pyramid. The corner-sharing octahedral tilt angles range from 0-10°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), one Li(5), and two equivalent Mn(1) atoms to form OLi4Mn2 octahedra that share  a cornercorner with one O(3)Li3Mn3 octahedra,  a cornercorner with one O(1)Li4Mn2 octahedra,  a cornercorner with one O(5)Li4Mn2 octahedra, corners with two equivalent O(4)Li3Mn3 octahedra, corners with two equivalent O(6)Li2Mn3 square pyramids,  an edgeedge with one O(3)Li3Mn3 octahedra,  an edgeedge with one O(4)Li3Mn3 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(5)Li4Mn2 octahedra, edges with three equivalent O(1)Li4Mn2 octahedra, edges with three equivalent O(2)Li4Mn2 octahedra, and  an edgeedge with one O(6)Li2Mn3 square pyramid. The corner-sharing octahedral tilt angles range from 0-10°. In the sixth O site, O(6) is bonded to two equivalent Li(1), one Mn(1), one Mn(2), and one Mn(3) atom to form distorted OLi2Mn3 square pyramids that share  a cornercorner with one O(4)Li3Mn3 octahedra,  a cornercorner with one O(7)Li3Mn3 octahedra, corners with two equivalent O(1)Li4Mn2 octahedra, corners with two equivalent O(5)Li4Mn2 octahedra, corners with three equivalent O(3)Li3Mn3 octahedra,  an edgeedge with one O(3)Li3Mn3 octahedra,  an edgeedge with one O(4)Li3Mn3 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra,  an edgeedge with one O(5)Li4Mn2 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, and  an edgeedge with one O(6)Li2Mn3 square pyramid. The corner-sharing octahedral tilt angles range from 1-86°. In the seventh O site, O(7) is bonded to one Li(2), one Li(3), one Li(4), one Mn(3), and two equivalent Mn(2) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(3)Li3Mn3 octahedra,  a cornercorner with one O(4)Li3Mn3 octahedra,  a cornercorner with one O(7)Li3Mn3 octahedra,  a cornercorner with one O(2)Li4Mn2 octahedra, corners with two equivalent O(1)Li4Mn2 octahedra,  a cornercorner with one O(6)Li2Mn3 square pyramid,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(5)Li4Mn2 octahedra, edges with two equivalent O(2)Li4Mn2 octahedra, edges with three equivalent O(3)Li3Mn3 octahedra, edges with three equivalent O(4)Li3Mn3 octahedra, and  an edgeedge with one O(6)Li2Mn3 square pyramid. The corner-sharing octahedral tilt angles range from 0-12°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Mn3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.081
_cell_length_b   6.945
_cell_length_c   7.728
_cell_angle_alpha   83.243
_cell_angle_beta   75.985
_cell_angle_gamma   79.193
_symmetry_Int_Tables_number   1
_cell_volume   259.137
_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  0.705  0.065  0.570  1.0
  Li  Li1  1  0.836  0.762  0.287  1.0
  Li  Li2  1  0.568  0.360  0.849  1.0
  Li  Li3  1  0.432  0.640  0.151  1.0
  Li  Li4  1  0.295  0.935  0.430  1.0
  Li  Li5  1  0.164  0.238  0.713  1.0
  Li  Li6  1  0.000  0.500  0.000  1.0
  Li  Li7  1  0.500  0.500  0.500  1.0
  Mn  Mn8  1  0.930  0.631  0.640  1.0
  Mn  Mn9  1  0.070  0.369  0.360  1.0
  Mn  Mn10  1  0.216  0.073  0.073  1.0
  Mn  Mn11  1  0.355  0.772  0.780  1.0
  Mn  Mn12  1  0.645  0.228  0.220  1.0
  Mn  Mn13  1  0.784  0.927  0.927  1.0
  O  O14  1  0.612  0.783  0.551  1.0
  O  O15  1  0.774  0.495  0.257  1.0
  O  O16  1  0.472  0.072  0.835  1.0
  O  O17  1  0.327  0.360  0.126  1.0
  O  O18  1  0.153  0.620  0.400  1.0
  O  O19  1  0.027  0.890  0.681  1.0
  O  O20  1  0.899  0.206  0.982  1.0
  O  O21  1  0.847  0.380  0.600  1.0
  O  O22  1  0.973  0.110  0.319  1.0
  O  O23  1  0.673  0.640  0.874  1.0
  O  O24  1  0.528  0.928  0.165  1.0
  O  O25  1  0.388  0.217  0.449  1.0
  O  O26  1  0.226  0.505  0.743  1.0
  O  O27  1  0.101  0.794  0.018  1.0
[/CIF]
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