The structure described by Li2Ti2Mn5O12 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(10), one O(11), one O(12), one O(2), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-18°. In the second Li site, Li(2) is bonded to one O(1), one O(12), one O(3), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-13°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(12), one O(3), one O(6), one O(7), and one O(8) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-19°. In the second Ti site, Ti(2) is bonded to one O(10), one O(11), one O(2), one O(4), one O(5), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-15°. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(11), one O(2), one O(4), one O(5), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with three equivalent Ti(2)O6 octahedra, and edges with three equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-18°. In the second Mn site, Mn(2) is bonded to one O(1), one O(12), one O(3), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-14°. In the third Mn site, Mn(3) is bonded to one O(1), one O(10), one O(2), one O(7), one O(8), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-19°. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(11), one O(2), one O(4), one O(5), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with three equivalent Ti(2)O6 octahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-15°. In the fifth Mn site, Mn(5) is bonded to one O(11), one O(12), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-16°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Ti(1), one Mn(2), and one Mn(3) atom to form OLi2TiMn2 square pyramids that share  a cornercorner with one O(8)Li2TiMn2 square pyramid,  a cornercorner with one O(11)LiTiMn3 square pyramid, corners with two equivalent O(12)Li2TiMn2 square pyramids, corners with two equivalent O(2)LiTiMn3 square pyramids,  an edgeedge with one O(12)Li2TiMn2 square pyramid,  an edgeedge with one O(10)LiTiMn3 square pyramid, and edges with two equivalent O(8)Li2TiMn2 square pyramids. In the second O site, O(2) is bonded to one Li(1), one Ti(2), one Mn(1), one Mn(3), and one Mn(4) atom to form distorted OLiTiMn3 square pyramids that share  a cornercorner with one O(12)Li2TiMn2 square pyramid,  a cornercorner with one O(10)LiTiMn3 square pyramid, corners with two equivalent O(1)Li2TiMn2 square pyramids, corners with two equivalent O(11)LiTiMn3 square pyramids,  an edgeedge with one O(8)Li2TiMn2 square pyramid,  an edgeedge with one O(11)LiTiMn3 square pyramid, and edges with two equivalent O(10)LiTiMn3 square pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one Mn(2), and one Mn(5) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Ti(2), one Mn(1), one Mn(4), and one Mn(5) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Ti(2), one Mn(1), one Mn(4), and one Mn(5) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one Mn(2), and one Mn(5) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one Mn(2), and one Mn(3) atom. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Ti(1), one Mn(2), and one Mn(3) atom to form OLi2TiMn2 square pyramids that share  a cornercorner with one O(1)Li2TiMn2 square pyramid,  a cornercorner with one O(11)LiTiMn3 square pyramid, corners with two equivalent O(10)LiTiMn3 square pyramids,  an edgeedge with one O(2)LiTiMn3 square pyramid, edges with two equivalent O(1)Li2TiMn2 square pyramids, and edges with two equivalent O(12)Li2TiMn2 square pyramids. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Ti(2), one Mn(1), one Mn(3), and one Mn(4) atom. In the tenth O site, O(10) is bonded to one Li(1), one Ti(2), one Mn(1), one Mn(3), and one Mn(4) atom to form OLiTiMn3 square pyramids that share  a cornercorner with one O(12)Li2TiMn2 square pyramid,  a cornercorner with one O(2)LiTiMn3 square pyramid, corners with two equivalent O(8)Li2TiMn2 square pyramids,  an edgeedge with one O(1)Li2TiMn2 square pyramid, edges with two equivalent O(11)LiTiMn3 square pyramids, and edges with two equivalent O(2)LiTiMn3 square pyramids. In the eleventh O site, O(11) is bonded to one Li(1), one Ti(2), one Mn(1), one Mn(4), and one Mn(5) atom to form OLiTiMn3 square pyramids that share  a cornercorner with one O(1)Li2TiMn2 square pyramid,  a cornercorner with one O(8)Li2TiMn2 square pyramid, corners with two equivalent O(2)LiTiMn3 square pyramids,  an edgeedge with one O(12)Li2TiMn2 square pyramid,  an edgeedge with one O(2)LiTiMn3 square pyramid, and edges with two equivalent O(10)LiTiMn3 square pyramids. In the twelfth O site, O(12) is bonded to one Li(1), one Li(2), one Ti(1), one Mn(2), and one Mn(5) atom to form OLi2TiMn2 square pyramids that share  a cornercorner with one O(10)LiTiMn3 square pyramid,  a cornercorner with one O(2)LiTiMn3 square pyramid, corners with two equivalent O(1)Li2TiMn2 square pyramids,  an edgeedge with one O(1)Li2TiMn2 square pyramid,  an edgeedge with one O(11)LiTiMn3 square pyramid, and edges with two equivalent O(8)Li2TiMn2 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Ti2Mn5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.113
_cell_length_b   5.091
_cell_length_c   10.362
_cell_angle_alpha   78.264
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   470.742
_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  0.916  0.496  0.266  1.0
  Li  Li1  1  0.576  0.745  0.496  1.0
  Li  Li2  1  0.416  0.504  0.734  1.0
  Li  Li3  1  0.076  0.255  0.504  1.0
  Ti  Ti4  1  0.750  0.238  0.508  1.0
  Ti  Ti5  1  0.749  0.758  0.993  1.0
  Ti  Ti6  1  0.249  0.242  0.007  1.0
  Ti  Ti7  1  0.250  0.762  0.492  1.0
  Mn  Mn8  1  0.917  0.248  0.010  1.0
  Mn  Mn9  1  0.925  0.755  0.496  1.0
  Mn  Mn10  1  0.724  0.995  0.264  1.0
  Mn  Mn11  1  0.581  0.245  0.997  1.0
  Mn  Mn12  1  0.755  0.506  0.739  1.0
  Mn  Mn13  1  0.425  0.245  0.504  1.0
  Mn  Mn14  1  0.417  0.752  0.990  1.0
  Mn  Mn15  1  0.224  0.005  0.736  1.0
  Mn  Mn16  1  0.255  0.494  0.261  1.0
  Mn  Mn17  1  0.081  0.755  0.003  1.0
  O  O18  1  0.897  0.119  0.389  1.0
  O  O19  1  0.889  0.879  0.111  1.0
  O  O20  1  0.775  0.878  0.605  1.0
  O  O21  1  0.737  0.117  0.893  1.0
  O  O22  1  0.914  0.616  0.904  1.0
  O  O23  1  0.903  0.401  0.604  1.0
  O  O24  1  0.590  0.136  0.403  1.0
  O  O25  1  0.775  0.625  0.390  1.0
  O  O26  1  0.580  0.878  0.095  1.0
  O  O27  1  0.764  0.376  0.113  1.0
  O  O28  1  0.603  0.599  0.888  1.0
  O  O29  1  0.589  0.368  0.608  1.0
  O  O30  1  0.389  0.121  0.889  1.0
  O  O31  1  0.397  0.881  0.611  1.0
  O  O32  1  0.275  0.122  0.395  1.0
  O  O33  1  0.403  0.599  0.396  1.0
  O  O34  1  0.237  0.883  0.107  1.0
  O  O35  1  0.414  0.384  0.096  1.0
  O  O36  1  0.080  0.122  0.905  1.0
  O  O37  1  0.275  0.375  0.610  1.0
  O  O38  1  0.090  0.864  0.597  1.0
  O  O39  1  0.264  0.624  0.887  1.0
  O  O40  1  0.089  0.632  0.392  1.0
  O  O41  1  0.103  0.401  0.112  1.0
[/CIF]
.
The structure described by Li2Ti2Mn5O12 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(10), one O(11), one O(12), one O(2), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-18°. In the second Li site, Li(2) is bonded to one O(1), one O(12), one O(3), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-13°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(12), one O(3), one O(6), one O(7), and one O(8) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-19°. In the second Ti site, Ti(2) is bonded to one O(10), one O(11), one O(2), one O(4), one O(5), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-15°. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(11), one O(2), one O(4), one O(5), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with three equivalent Ti(2)O6 octahedra, and edges with three equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-18°. In the second Mn site, Mn(2) is bonded to one O(1), one O(12), one O(3), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-14°. In the third Mn site, Mn(3) is bonded to one O(1), one O(10), one O(2), one O(7), one O(8), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-19°. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(11), one O(2), one O(4), one O(5), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with three equivalent Ti(2)O6 octahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-15°. In the fifth Mn site, Mn(5) is bonded to one O(11), one O(12), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-16°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Ti(1), one Mn(2), and one Mn(3) atom to form OLi2TiMn2 square pyramids that share  a cornercorner with one O(8)Li2TiMn2 square pyramid,  a cornercorner with one O(11)LiTiMn3 square pyramid, corners with two equivalent O(12)Li2TiMn2 square pyramids, corners with two equivalent O(2)LiTiMn3 square pyramids,  an edgeedge with one O(12)Li2TiMn2 square pyramid,  an edgeedge with one O(10)LiTiMn3 square pyramid, and edges with two equivalent O(8)Li2TiMn2 square pyramids. In the second O site, O(2) is bonded to one Li(1), one Ti(2), one Mn(1), one Mn(3), and one Mn(4) atom to form distorted OLiTiMn3 square pyramids that share  a cornercorner with one O(12)Li2TiMn2 square pyramid,  a cornercorner with one O(10)LiTiMn3 square pyramid, corners with two equivalent O(1)Li2TiMn2 square pyramids, corners with two equivalent O(11)LiTiMn3 square pyramids,  an edgeedge with one O(8)Li2TiMn2 square pyramid,  an edgeedge with one O(11)LiTiMn3 square pyramid, and edges with two equivalent O(10)LiTiMn3 square pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one Mn(2), and one Mn(5) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Ti(2), one Mn(1), one Mn(4), and one Mn(5) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Ti(2), one Mn(1), one Mn(4), and one Mn(5) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one Mn(2), and one Mn(5) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one Mn(2), and one Mn(3) atom. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Ti(1), one Mn(2), and one Mn(3) atom to form OLi2TiMn2 square pyramids that share  a cornercorner with one O(1)Li2TiMn2 square pyramid,  a cornercorner with one O(11)LiTiMn3 square pyramid, corners with two equivalent O(10)LiTiMn3 square pyramids,  an edgeedge with one O(2)LiTiMn3 square pyramid, edges with two equivalent O(1)Li2TiMn2 square pyramids, and edges with two equivalent O(12)Li2TiMn2 square pyramids. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Ti(2), one Mn(1), one Mn(3), and one Mn(4) atom. In the tenth O site, O(10) is bonded to one Li(1), one Ti(2), one Mn(1), one Mn(3), and one Mn(4) atom to form OLiTiMn3 square pyramids that share  a cornercorner with one O(12)Li2TiMn2 square pyramid,  a cornercorner with one O(2)LiTiMn3 square pyramid, corners with two equivalent O(8)Li2TiMn2 square pyramids,  an edgeedge with one O(1)Li2TiMn2 square pyramid, edges with two equivalent O(11)LiTiMn3 square pyramids, and edges with two equivalent O(2)LiTiMn3 square pyramids. In the eleventh O site, O(11) is bonded to one Li(1), one Ti(2), one Mn(1), one Mn(4), and one Mn(5) atom to form OLiTiMn3 square pyramids that share  a cornercorner with one O(1)Li2TiMn2 square pyramid,  a cornercorner with one O(8)Li2TiMn2 square pyramid, corners with two equivalent O(2)LiTiMn3 square pyramids,  an edgeedge with one O(12)Li2TiMn2 square pyramid,  an edgeedge with one O(2)LiTiMn3 square pyramid, and edges with two equivalent O(10)LiTiMn3 square pyramids. In the twelfth O site, O(12) is bonded to one Li(1), one Li(2), one Ti(1), one Mn(2), and one Mn(5) atom to form OLi2TiMn2 square pyramids that share  a cornercorner with one O(10)LiTiMn3 square pyramid,  a cornercorner with one O(2)LiTiMn3 square pyramid, corners with two equivalent O(1)Li2TiMn2 square pyramids,  an edgeedge with one O(1)Li2TiMn2 square pyramid,  an edgeedge with one O(11)LiTiMn3 square pyramid, and edges with two equivalent O(8)Li2TiMn2 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Ti2Mn5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.113
_cell_length_b   5.091
_cell_length_c   10.362
_cell_angle_alpha   78.264
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   470.742
_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  0.916  0.496  0.266  1.0
  Li  Li1  1  0.576  0.745  0.496  1.0
  Li  Li2  1  0.416  0.504  0.734  1.0
  Li  Li3  1  0.076  0.255  0.504  1.0
  Ti  Ti4  1  0.750  0.238  0.508  1.0
  Ti  Ti5  1  0.749  0.758  0.993  1.0
  Ti  Ti6  1  0.249  0.242  0.007  1.0
  Ti  Ti7  1  0.250  0.762  0.492  1.0
  Mn  Mn8  1  0.917  0.248  0.010  1.0
  Mn  Mn9  1  0.925  0.755  0.496  1.0
  Mn  Mn10  1  0.724  0.995  0.264  1.0
  Mn  Mn11  1  0.581  0.245  0.997  1.0
  Mn  Mn12  1  0.755  0.506  0.739  1.0
  Mn  Mn13  1  0.425  0.245  0.504  1.0
  Mn  Mn14  1  0.417  0.752  0.990  1.0
  Mn  Mn15  1  0.224  0.005  0.736  1.0
  Mn  Mn16  1  0.255  0.494  0.261  1.0
  Mn  Mn17  1  0.081  0.755  0.003  1.0
  O  O18  1  0.897  0.119  0.389  1.0
  O  O19  1  0.889  0.879  0.111  1.0
  O  O20  1  0.775  0.878  0.605  1.0
  O  O21  1  0.737  0.117  0.893  1.0
  O  O22  1  0.914  0.616  0.904  1.0
  O  O23  1  0.903  0.401  0.604  1.0
  O  O24  1  0.590  0.136  0.403  1.0
  O  O25  1  0.775  0.625  0.390  1.0
  O  O26  1  0.580  0.878  0.095  1.0
  O  O27  1  0.764  0.376  0.113  1.0
  O  O28  1  0.603  0.599  0.888  1.0
  O  O29  1  0.589  0.368  0.608  1.0
  O  O30  1  0.389  0.121  0.889  1.0
  O  O31  1  0.397  0.881  0.611  1.0
  O  O32  1  0.275  0.122  0.395  1.0
  O  O33  1  0.403  0.599  0.396  1.0
  O  O34  1  0.237  0.883  0.107  1.0
  O  O35  1  0.414  0.384  0.096  1.0
  O  O36  1  0.080  0.122  0.905  1.0
  O  O37  1  0.275  0.375  0.610  1.0
  O  O38  1  0.090  0.864  0.597  1.0
  O  O39  1  0.264  0.624  0.887  1.0
  O  O40  1  0.089  0.632  0.392  1.0
  O  O41  1  0.103  0.401  0.112  1.0
[/CIF]
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