The crystal structure described by Li4Ti2Mn3O10 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form distorted LiO5 square pyramids that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-91°. In the second Li site, Li(2) is bonded to one O(3), one O(4), one O(6), one O(7), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)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, corners with two equivalent Mn(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)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, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 4-15°. In the third Li site, Li(3) is bonded to one O(10), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 2-15°. In the fourth Li site, Li(4) is bonded to one O(4), one O(5), one O(7), one O(8), and two equivalent O(10) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 2-17°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(3), one O(8), and two equivalent O(4) atoms to form TiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)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, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 4-12°. In the second Ti site, Ti(2) is bonded to one O(10), one O(5), one O(6), one O(9), and two equivalent O(7) atoms to form TiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 8-14°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(5), one O(6), one O(8), and two equivalent O(1) atoms to form distorted MnO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)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(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-17°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. In the third Mn site, Mn(3) is bonded to two equivalent O(5), two equivalent O(8), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and edges with two equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 10-12°. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(3), one O(6), one O(8), and two equivalent O(9) atoms to form distorted MnO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 9-11°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Ti(1), one Mn(2), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded to one Li(1), one Li(3), two equivalent Li(2), one Ti(1), and one Mn(1) atom to form OLi4TiMn octahedra that share  a cornercorner with one O(8)Li2TiMn3 octahedra,  a cornercorner with one O(3)Li3TiMn2 octahedra,  a cornercorner with one O(4)Li3Ti2 square pyramid,  a cornercorner with one O(10)Li3TiMn square pyramid,  a cornercorner with one O(6)LiTiMn3 square pyramid,  a cornercorner with one O(9)LiTiMn3 square pyramid,  an edgeedge with one O(8)Li2TiMn3 octahedra,  an edgeedge with one O(2)Li4TiMn octahedra, edges with two equivalent O(3)Li3TiMn2 octahedra, edges with two equivalent O(7)Li4Ti2 octahedra,  an edgeedge with one O(5)Li2TiMn2 square pyramid,  an edgeedge with one O(6)LiTiMn3 square pyramid, and edges with two equivalent O(4)Li3Ti2 square pyramids. The corner-sharing octahedral tilt angles range from 6-10°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Ti(1), one Mn(2), and one Mn(4) atom to form distorted OLi3TiMn2 octahedra that share  a cornercorner with one O(8)Li2TiMn3 octahedra,  a cornercorner with one O(3)Li3TiMn2 octahedra,  a cornercorner with one O(7)Li4Ti2 octahedra,  a cornercorner with one O(2)Li4TiMn octahedra,  a cornercorner with one O(5)Li2TiMn2 square pyramid,  a cornercorner with one O(9)LiTiMn3 square pyramid,  an edgeedge with one O(8)Li2TiMn3 octahedra,  an edgeedge with one O(7)Li4Ti2 octahedra, edges with two equivalent O(2)Li4TiMn octahedra,  an edgeedge with one O(10)Li3TiMn square pyramid,  an edgeedge with one O(9)LiTiMn3 square pyramid, edges with two equivalent O(4)Li3Ti2 square pyramids, and edges with two equivalent O(6)LiTiMn3 square pyramids. The corner-sharing octahedral tilt angles range from 0-15°. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), one Li(4), and two equivalent Ti(1) atoms to form OLi3Ti2 square pyramids that share  a cornercorner with one O(8)Li2TiMn3 octahedra,  a cornercorner with one O(7)Li4Ti2 octahedra,  a cornercorner with one O(2)Li4TiMn octahedra,  a cornercorner with one O(10)Li3TiMn square pyramid,  a cornercorner with one O(6)LiTiMn3 square pyramid, corners with two equivalent O(5)Li2TiMn2 square pyramids,  an edgeedge with one O(8)Li2TiMn3 octahedra,  an edgeedge with one O(7)Li4Ti2 octahedra, edges with two equivalent O(3)Li3TiMn2 octahedra, edges with two equivalent O(2)Li4TiMn octahedra,  an edgeedge with one O(4)Li3Ti2 square pyramid, and  an edgeedge with one O(10)Li3TiMn square pyramid. The corner-sharing octahedral tilt angles range from 4-11°. In the fifth O site, O(5) is bonded to one Li(3), one Li(4), one Ti(2), one Mn(1), and one Mn(3) atom to form OLi2TiMn2 square pyramids that share  a cornercorner with one O(3)Li3TiMn2 octahedra,  a cornercorner with one O(5)Li2TiMn2 square pyramid,  a cornercorner with one O(9)LiTiMn3 square pyramid, corners with two equivalent O(4)Li3Ti2 square pyramids, corners with two equivalent O(10)Li3TiMn square pyramids,  an edgeedge with one O(2)Li4TiMn octahedra, edges with two equivalent O(8)Li2TiMn3 octahedra, edges with two equivalent O(7)Li4Ti2 octahedra,  an edgeedge with one O(10)Li3TiMn square pyramid,  an edgeedge with one O(6)LiTiMn3 square pyramid, and  an edgeedge with one O(9)LiTiMn3 square pyramid. The corner-sharing octahedral tilt angles are 6°. In the sixth O site, O(6) is bonded to one Li(2), one Ti(2), one Mn(1), one Mn(2), and one Mn(4) atom to form distorted OLiTiMn3 square pyramids that share  a cornercorner with one O(7)Li4Ti2 octahedra,  a cornercorner with one O(2)Li4TiMn octahedra,  a cornercorner with one O(4)Li3Ti2 square pyramid,  a cornercorner with one O(6)LiTiMn3 square pyramid,  a cornercorner with one O(9)LiTiMn3 square pyramid, corners with two equivalent O(10)Li3TiMn square pyramids,  an edgeedge with one O(8)Li2TiMn3 octahedra,  an edgeedge with one O(7)Li4Ti2 octahedra,  an edgeedge with one O(2)Li4TiMn octahedra, edges with two equivalent O(3)Li3TiMn2 octahedra,  an edgeedge with one O(5)Li2TiMn2 square pyramid, and  an edgeedge with one O(9)LiTiMn3 square pyramid. The corner-sharing octahedral tilt angles range from 6-15°. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), and two equivalent Ti(2) atoms to form OLi4Ti2 octahedra that share  a cornercorner with one O(3)Li3TiMn2 octahedra,  a cornercorner with one O(4)Li3Ti2 square pyramid,  a cornercorner with one O(10)Li3TiMn square pyramid,  a cornercorner with one O(6)LiTiMn3 square pyramid,  a cornercorner with one O(9)LiTiMn3 square pyramid,  an edgeedge with one O(8)Li2TiMn3 octahedra,  an edgeedge with one O(3)Li3TiMn2 octahedra,  an edgeedge with one O(7)Li4Ti2 octahedra, edges with two equivalent O(2)Li4TiMn octahedra,  an edgeedge with one O(4)Li3Ti2 square pyramid,  an edgeedge with one O(6)LiTiMn3 square pyramid,  an edgeedge with one O(9)LiTiMn3 square pyramid, edges with two equivalent O(5)Li2TiMn2 square pyramids, and edges with two equivalent O(10)Li3TiMn square pyramids. The corner-sharing octahedral tilt angles are 10°. In the eighth O site, O(8) is bonded to one Li(1), one Li(4), one Ti(1), one Mn(1), one Mn(3), and one Mn(4) atom to form OLi2TiMn3 octahedra that share  a cornercorner with one O(8)Li2TiMn3 octahedra,  a cornercorner with one O(3)Li3TiMn2 octahedra,  a cornercorner with one O(2)Li4TiMn octahedra,  a cornercorner with one O(4)Li3Ti2 square pyramid,  a cornercorner with one O(10)Li3TiMn square pyramid,  a cornercorner with one O(9)LiTiMn3 square pyramid,  an edgeedge with one O(3)Li3TiMn2 octahedra,  an edgeedge with one O(7)Li4Ti2 octahedra,  an edgeedge with one O(2)Li4TiMn octahedra,  an edgeedge with one O(4)Li3Ti2 square pyramid,  an edgeedge with one O(10)Li3TiMn square pyramid,  an edgeedge with one O(6)LiTiMn3 square pyramid, edges with two equivalent O(5)Li2TiMn2 square pyramids, and edges with two equivalent O(9)LiTiMn3 square pyramids. The corner-sharing octahedral tilt angles range from 0-15°. In the ninth O site, O(9) is bonded to one Li(1), one Ti(2), one Mn(3), and two equivalent Mn(4) atoms to form OLiTiMn3 square pyramids that share  a cornercorner with one O(8)Li2TiMn3 octahedra,  a cornercorner with one O(3)Li3TiMn2 octahedra,  a cornercorner with one O(7)Li4Ti2 octahedra,  a cornercorner with one O(2)Li4TiMn octahedra,  a cornercorner with one O(5)Li2TiMn2 square pyramid,  a cornercorner with one O(10)Li3TiMn square pyramid,  a cornercorner with one O(6)LiTiMn3 square pyramid,  a cornercorner with one O(9)LiTiMn3 square pyramid,  an edgeedge with one O(3)Li3TiMn2 octahedra,  an edgeedge with one O(7)Li4Ti2 octahedra, edges with two equivalent O(8)Li2TiMn3 octahedra,  an edgeedge with one O(5)Li2TiMn2 square pyramid,  an edgeedge with one O(10)Li3TiMn square pyramid,  an edgeedge with one O(6)LiTiMn3 square pyramid, and  an edgeedge with one O(9)LiTiMn3 square pyramid. The corner-sharing octahedral tilt angles range from 3-17°. In the tenth O site, O(10) is bonded to one Li(3), two equivalent Li(4), one Ti(2), and one Mn(4) atom to form OLi3TiMn square pyramids that share  a cornercorner with one O(8)Li2TiMn3 octahedra,  a cornercorner with one O(7)Li4Ti2 octahedra,  a cornercorner with one O(2)Li4TiMn octahedra,  a cornercorner with one O(4)Li3Ti2 square pyramid,  a cornercorner with one O(9)LiTiMn3 square pyramid, corners with two equivalent O(5)Li2TiMn2 square pyramids, corners with two equivalent O(6)LiTiMn3 square pyramids,  an edgeedge with one O(8)Li2TiMn3 octahedra,  an edgeedge with one O(3)Li3TiMn2 octahedra, edges with two equivalent O(7)Li4Ti2 octahedra,  an edgeedge with one O(5)Li2TiMn2 square pyramid,  an edgeedge with one O(4)Li3Ti2 square pyramid,  an edgeedge with one O(10)Li3TiMn square pyramid, and  an edgeedge with one O(9)LiTiMn3 square pyramid. The corner-sharing octahedral tilt angles range from 6-10°. is represented by the CIF file [CIF]
data_Li4Ti2Mn3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.514
_cell_length_b   7.886
_cell_length_c   7.979
_cell_angle_alpha   97.999
_cell_angle_beta   113.061
_cell_angle_gamma   89.404
_symmetry_Int_Tables_number   1
_cell_volume   372.974
_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  0.595  0.213  0.763  1.0
  Li  Li1  1  0.308  0.089  0.402  1.0
  Li  Li2  1  0.754  0.259  0.482  1.0
  Li  Li3  1  0.246  0.741  0.518  1.0
  Li  Li4  1  0.692  0.911  0.598  1.0
  Li  Li5  1  0.405  0.787  0.237  1.0
  Li  Li6  1  0.816  0.574  0.397  1.0
  Li  Li7  1  0.184  0.426  0.603  1.0
  Ti  Ti8  1  0.846  0.945  0.316  1.0
  Ti  Ti9  1  0.154  0.055  0.684  1.0
  Ti  Ti10  1  0.334  0.432  0.319  1.0
  Ti  Ti11  1  0.666  0.568  0.681  1.0
  Mn  Mn12  1  0.466  0.150  0.111  1.0
  Mn  Mn13  1  0.534  0.850  0.889  1.0
  Mn  Mn14  1  0.000  0.000  0.000  1.0
  Mn  Mn15  1  0.500  0.500  0.000  1.0
  Mn  Mn16  1  0.962  0.642  0.115  1.0
  Mn  Mn17  1  0.038  0.358  0.885  1.0
  O  O18  1  0.286  0.951  0.937  1.0
  O  O19  1  0.413  0.989  0.653  1.0
  O  O20  1  0.587  0.011  0.347  1.0
  O  O21  1  0.899  0.135  0.767  1.0
  O  O22  1  0.027  0.148  0.461  1.0
  O  O23  1  0.714  0.049  0.063  1.0
  O  O24  1  0.408  0.630  0.764  1.0
  O  O25  1  0.211  0.216  0.165  1.0
  O  O26  1  0.526  0.653  0.456  1.0
  O  O27  1  0.789  0.784  0.835  1.0
  O  O28  1  0.705  0.719  0.165  1.0
  O  O29  1  0.973  0.852  0.539  1.0
  O  O30  1  0.295  0.281  0.835  1.0
  O  O31  1  0.101  0.865  0.233  1.0
  O  O32  1  0.782  0.446  0.927  1.0
  O  O33  1  0.474  0.347  0.544  1.0
  O  O34  1  0.592  0.370  0.236  1.0
  O  O35  1  0.906  0.475  0.643  1.0
  O  O36  1  0.094  0.525  0.357  1.0
  O  O37  1  0.218  0.554  0.073  1.0
[/CIF]
.
The crystal structure described by Li4Ti2Mn3O10 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form distorted LiO5 square pyramids that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-91°. In the second Li site, Li(2) is bonded to one O(3), one O(4), one O(6), one O(7), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)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, corners with two equivalent Mn(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)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, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 4-15°. In the third Li site, Li(3) is bonded to one O(10), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 2-15°. In the fourth Li site, Li(4) is bonded to one O(4), one O(5), one O(7), one O(8), and two equivalent O(10) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 2-17°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(3), one O(8), and two equivalent O(4) atoms to form TiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)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, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 4-12°. In the second Ti site, Ti(2) is bonded to one O(10), one O(5), one O(6), one O(9), and two equivalent O(7) atoms to form TiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 8-14°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(5), one O(6), one O(8), and two equivalent O(1) atoms to form distorted MnO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)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(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-17°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. In the third Mn site, Mn(3) is bonded to two equivalent O(5), two equivalent O(8), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and edges with two equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 10-12°. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(3), one O(6), one O(8), and two equivalent O(9) atoms to form distorted MnO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 9-11°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Ti(1), one Mn(2), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded to one Li(1), one Li(3), two equivalent Li(2), one Ti(1), and one Mn(1) atom to form OLi4TiMn octahedra that share  a cornercorner with one O(8)Li2TiMn3 octahedra,  a cornercorner with one O(3)Li3TiMn2 octahedra,  a cornercorner with one O(4)Li3Ti2 square pyramid,  a cornercorner with one O(10)Li3TiMn square pyramid,  a cornercorner with one O(6)LiTiMn3 square pyramid,  a cornercorner with one O(9)LiTiMn3 square pyramid,  an edgeedge with one O(8)Li2TiMn3 octahedra,  an edgeedge with one O(2)Li4TiMn octahedra, edges with two equivalent O(3)Li3TiMn2 octahedra, edges with two equivalent O(7)Li4Ti2 octahedra,  an edgeedge with one O(5)Li2TiMn2 square pyramid,  an edgeedge with one O(6)LiTiMn3 square pyramid, and edges with two equivalent O(4)Li3Ti2 square pyramids. The corner-sharing octahedral tilt angles range from 6-10°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Ti(1), one Mn(2), and one Mn(4) atom to form distorted OLi3TiMn2 octahedra that share  a cornercorner with one O(8)Li2TiMn3 octahedra,  a cornercorner with one O(3)Li3TiMn2 octahedra,  a cornercorner with one O(7)Li4Ti2 octahedra,  a cornercorner with one O(2)Li4TiMn octahedra,  a cornercorner with one O(5)Li2TiMn2 square pyramid,  a cornercorner with one O(9)LiTiMn3 square pyramid,  an edgeedge with one O(8)Li2TiMn3 octahedra,  an edgeedge with one O(7)Li4Ti2 octahedra, edges with two equivalent O(2)Li4TiMn octahedra,  an edgeedge with one O(10)Li3TiMn square pyramid,  an edgeedge with one O(9)LiTiMn3 square pyramid, edges with two equivalent O(4)Li3Ti2 square pyramids, and edges with two equivalent O(6)LiTiMn3 square pyramids. The corner-sharing octahedral tilt angles range from 0-15°. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), one Li(4), and two equivalent Ti(1) atoms to form OLi3Ti2 square pyramids that share  a cornercorner with one O(8)Li2TiMn3 octahedra,  a cornercorner with one O(7)Li4Ti2 octahedra,  a cornercorner with one O(2)Li4TiMn octahedra,  a cornercorner with one O(10)Li3TiMn square pyramid,  a cornercorner with one O(6)LiTiMn3 square pyramid, corners with two equivalent O(5)Li2TiMn2 square pyramids,  an edgeedge with one O(8)Li2TiMn3 octahedra,  an edgeedge with one O(7)Li4Ti2 octahedra, edges with two equivalent O(3)Li3TiMn2 octahedra, edges with two equivalent O(2)Li4TiMn octahedra,  an edgeedge with one O(4)Li3Ti2 square pyramid, and  an edgeedge with one O(10)Li3TiMn square pyramid. The corner-sharing octahedral tilt angles range from 4-11°. In the fifth O site, O(5) is bonded to one Li(3), one Li(4), one Ti(2), one Mn(1), and one Mn(3) atom to form OLi2TiMn2 square pyramids that share  a cornercorner with one O(3)Li3TiMn2 octahedra,  a cornercorner with one O(5)Li2TiMn2 square pyramid,  a cornercorner with one O(9)LiTiMn3 square pyramid, corners with two equivalent O(4)Li3Ti2 square pyramids, corners with two equivalent O(10)Li3TiMn square pyramids,  an edgeedge with one O(2)Li4TiMn octahedra, edges with two equivalent O(8)Li2TiMn3 octahedra, edges with two equivalent O(7)Li4Ti2 octahedra,  an edgeedge with one O(10)Li3TiMn square pyramid,  an edgeedge with one O(6)LiTiMn3 square pyramid, and  an edgeedge with one O(9)LiTiMn3 square pyramid. The corner-sharing octahedral tilt angles are 6°. In the sixth O site, O(6) is bonded to one Li(2), one Ti(2), one Mn(1), one Mn(2), and one Mn(4) atom to form distorted OLiTiMn3 square pyramids that share  a cornercorner with one O(7)Li4Ti2 octahedra,  a cornercorner with one O(2)Li4TiMn octahedra,  a cornercorner with one O(4)Li3Ti2 square pyramid,  a cornercorner with one O(6)LiTiMn3 square pyramid,  a cornercorner with one O(9)LiTiMn3 square pyramid, corners with two equivalent O(10)Li3TiMn square pyramids,  an edgeedge with one O(8)Li2TiMn3 octahedra,  an edgeedge with one O(7)Li4Ti2 octahedra,  an edgeedge with one O(2)Li4TiMn octahedra, edges with two equivalent O(3)Li3TiMn2 octahedra,  an edgeedge with one O(5)Li2TiMn2 square pyramid, and  an edgeedge with one O(9)LiTiMn3 square pyramid. The corner-sharing octahedral tilt angles range from 6-15°. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), and two equivalent Ti(2) atoms to form OLi4Ti2 octahedra that share  a cornercorner with one O(3)Li3TiMn2 octahedra,  a cornercorner with one O(4)Li3Ti2 square pyramid,  a cornercorner with one O(10)Li3TiMn square pyramid,  a cornercorner with one O(6)LiTiMn3 square pyramid,  a cornercorner with one O(9)LiTiMn3 square pyramid,  an edgeedge with one O(8)Li2TiMn3 octahedra,  an edgeedge with one O(3)Li3TiMn2 octahedra,  an edgeedge with one O(7)Li4Ti2 octahedra, edges with two equivalent O(2)Li4TiMn octahedra,  an edgeedge with one O(4)Li3Ti2 square pyramid,  an edgeedge with one O(6)LiTiMn3 square pyramid,  an edgeedge with one O(9)LiTiMn3 square pyramid, edges with two equivalent O(5)Li2TiMn2 square pyramids, and edges with two equivalent O(10)Li3TiMn square pyramids. The corner-sharing octahedral tilt angles are 10°. In the eighth O site, O(8) is bonded to one Li(1), one Li(4), one Ti(1), one Mn(1), one Mn(3), and one Mn(4) atom to form OLi2TiMn3 octahedra that share  a cornercorner with one O(8)Li2TiMn3 octahedra,  a cornercorner with one O(3)Li3TiMn2 octahedra,  a cornercorner with one O(2)Li4TiMn octahedra,  a cornercorner with one O(4)Li3Ti2 square pyramid,  a cornercorner with one O(10)Li3TiMn square pyramid,  a cornercorner with one O(9)LiTiMn3 square pyramid,  an edgeedge with one O(3)Li3TiMn2 octahedra,  an edgeedge with one O(7)Li4Ti2 octahedra,  an edgeedge with one O(2)Li4TiMn octahedra,  an edgeedge with one O(4)Li3Ti2 square pyramid,  an edgeedge with one O(10)Li3TiMn square pyramid,  an edgeedge with one O(6)LiTiMn3 square pyramid, edges with two equivalent O(5)Li2TiMn2 square pyramids, and edges with two equivalent O(9)LiTiMn3 square pyramids. The corner-sharing octahedral tilt angles range from 0-15°. In the ninth O site, O(9) is bonded to one Li(1), one Ti(2), one Mn(3), and two equivalent Mn(4) atoms to form OLiTiMn3 square pyramids that share  a cornercorner with one O(8)Li2TiMn3 octahedra,  a cornercorner with one O(3)Li3TiMn2 octahedra,  a cornercorner with one O(7)Li4Ti2 octahedra,  a cornercorner with one O(2)Li4TiMn octahedra,  a cornercorner with one O(5)Li2TiMn2 square pyramid,  a cornercorner with one O(10)Li3TiMn square pyramid,  a cornercorner with one O(6)LiTiMn3 square pyramid,  a cornercorner with one O(9)LiTiMn3 square pyramid,  an edgeedge with one O(3)Li3TiMn2 octahedra,  an edgeedge with one O(7)Li4Ti2 octahedra, edges with two equivalent O(8)Li2TiMn3 octahedra,  an edgeedge with one O(5)Li2TiMn2 square pyramid,  an edgeedge with one O(10)Li3TiMn square pyramid,  an edgeedge with one O(6)LiTiMn3 square pyramid, and  an edgeedge with one O(9)LiTiMn3 square pyramid. The corner-sharing octahedral tilt angles range from 3-17°. In the tenth O site, O(10) is bonded to one Li(3), two equivalent Li(4), one Ti(2), and one Mn(4) atom to form OLi3TiMn square pyramids that share  a cornercorner with one O(8)Li2TiMn3 octahedra,  a cornercorner with one O(7)Li4Ti2 octahedra,  a cornercorner with one O(2)Li4TiMn octahedra,  a cornercorner with one O(4)Li3Ti2 square pyramid,  a cornercorner with one O(9)LiTiMn3 square pyramid, corners with two equivalent O(5)Li2TiMn2 square pyramids, corners with two equivalent O(6)LiTiMn3 square pyramids,  an edgeedge with one O(8)Li2TiMn3 octahedra,  an edgeedge with one O(3)Li3TiMn2 octahedra, edges with two equivalent O(7)Li4Ti2 octahedra,  an edgeedge with one O(5)Li2TiMn2 square pyramid,  an edgeedge with one O(4)Li3Ti2 square pyramid,  an edgeedge with one O(10)Li3TiMn square pyramid, and  an edgeedge with one O(9)LiTiMn3 square pyramid. The corner-sharing octahedral tilt angles range from 6-10°. is represented by the CIF file [CIF]
data_Li4Ti2Mn3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.514
_cell_length_b   7.886
_cell_length_c   7.979
_cell_angle_alpha   97.999
_cell_angle_beta   113.061
_cell_angle_gamma   89.404
_symmetry_Int_Tables_number   1
_cell_volume   372.974
_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  0.595  0.213  0.763  1.0
  Li  Li1  1  0.308  0.089  0.402  1.0
  Li  Li2  1  0.754  0.259  0.482  1.0
  Li  Li3  1  0.246  0.741  0.518  1.0
  Li  Li4  1  0.692  0.911  0.598  1.0
  Li  Li5  1  0.405  0.787  0.237  1.0
  Li  Li6  1  0.816  0.574  0.397  1.0
  Li  Li7  1  0.184  0.426  0.603  1.0
  Ti  Ti8  1  0.846  0.945  0.316  1.0
  Ti  Ti9  1  0.154  0.055  0.684  1.0
  Ti  Ti10  1  0.334  0.432  0.319  1.0
  Ti  Ti11  1  0.666  0.568  0.681  1.0
  Mn  Mn12  1  0.466  0.150  0.111  1.0
  Mn  Mn13  1  0.534  0.850  0.889  1.0
  Mn  Mn14  1  0.000  0.000  0.000  1.0
  Mn  Mn15  1  0.500  0.500  0.000  1.0
  Mn  Mn16  1  0.962  0.642  0.115  1.0
  Mn  Mn17  1  0.038  0.358  0.885  1.0
  O  O18  1  0.286  0.951  0.937  1.0
  O  O19  1  0.413  0.989  0.653  1.0
  O  O20  1  0.587  0.011  0.347  1.0
  O  O21  1  0.899  0.135  0.767  1.0
  O  O22  1  0.027  0.148  0.461  1.0
  O  O23  1  0.714  0.049  0.063  1.0
  O  O24  1  0.408  0.630  0.764  1.0
  O  O25  1  0.211  0.216  0.165  1.0
  O  O26  1  0.526  0.653  0.456  1.0
  O  O27  1  0.789  0.784  0.835  1.0
  O  O28  1  0.705  0.719  0.165  1.0
  O  O29  1  0.973  0.852  0.539  1.0
  O  O30  1  0.295  0.281  0.835  1.0
  O  O31  1  0.101  0.865  0.233  1.0
  O  O32  1  0.782  0.446  0.927  1.0
  O  O33  1  0.474  0.347  0.544  1.0
  O  O34  1  0.592  0.370  0.236  1.0
  O  O35  1  0.906  0.475  0.643  1.0
  O  O36  1  0.094  0.525  0.357  1.0
  O  O37  1  0.218  0.554  0.073  1.0
[/CIF]
.