The crystal structure described by Li10Ti3Mn5O16 crystallizes in the triclinic P1 space group. There are ten inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(14), one O(16), one O(4), and one O(8) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(10), one O(14), one O(15), and one O(4) atom. In the third Li site, Li(3) is bonded to one O(10), one O(12), one O(14), one O(2), one O(6), and one O(9) atom to form distorted LiO6 octahedra that share corners with three equivalent Mn(2)O6 octahedra, corners with three equivalent Li(9)O4 trigonal pyramids, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, and  a faceface with one Mn(1)O6 square pyramid. The corner-sharing octahedral tilt angles range from 13-16°. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(1), one O(13), one O(2), one O(5), and one O(7) atom. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(10), one O(12), one O(15), and one O(4) atom. In the sixth Li site, Li(6) is bonded to one O(11), one O(3), one O(5), one O(7), and one O(8) atom to form distorted LiO5 square pyramids that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, corners with three equivalent Mn(1)O6 square pyramids, corners with two equivalent Li(10)O4 tetrahedra,  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 84-85°. In the seventh Li site, Li(7) is bonded in a 5-coordinate geometry to one O(1), one O(13), one O(2), one O(3), and one O(7) atom. In the eighth Li site, Li(8) is bonded in a trigonal non-coplanar geometry to one O(13), one O(3), and one O(5) atom. In the ninth Li site, Li(9) is bonded to one O(1), one O(2), one O(6), and one O(9) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Mn(1)O6 square pyramids,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, and  an edgeedge with one Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-70°. In the tenth Li site, Li(10) is bonded to one O(11), one O(15), one O(16), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, corners with two equivalent Li(6)O5 square pyramids,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, and  an edgeedge with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-65°. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(11), one O(3), one O(4), one O(5), and one O(8) atom to form TiO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(9)O4 trigonal pyramid, edges with two equivalent Mn(3)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra,  an edgeedge with one Mn(1)O6 square pyramid, edges with two equivalent Li(6)O5 square pyramids, and  an edgeedge with one Li(10)O4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. In the second Ti site, Ti(2) is bonded to one O(10), one O(12), one O(13), one O(16), one O(2), and one O(6) atom to form TiO6 octahedra that share corners with two equivalent Mn(1)O6 square pyramids,  a cornercorner with one Li(10)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, and  an edgeedge with one Li(9)O4 trigonal pyramid. In the third Ti site, Ti(3) is bonded to one O(10), one O(13), one O(14), one O(16), one O(2), and one O(9) atom to form TiO6 octahedra that share corners with two equivalent Mn(1)O6 square pyramids,  a cornercorner with one Li(10)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, and  an edgeedge with one Li(9)O4 trigonal pyramid. There are five 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(9) atom to form distorted MnO6 square pyramids that share corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Mn(5)O6 octahedra, corners with three equivalent Li(6)O5 square pyramids, corners with three equivalent Li(9)O4 trigonal pyramids,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, and  a faceface with one Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. In the second Mn site, Mn(2) is bonded to one O(10), one O(11), one O(12), one O(14), one O(15), and one O(8) atom to form distorted MnO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(10)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, and  an edgeedge with one Li(6)O5 square pyramid. The corner-sharing octahedral tilt angles range from 13-57°. In the third Mn site, Mn(3) is bonded to one O(1), one O(15), one O(3), one O(4), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(6)O5 square pyramid,  a cornercorner with one Li(9)O4 trigonal pyramid, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra,  an edgeedge with one Li(6)O5 square pyramid,  an edgeedge with one Mn(1)O6 square pyramid, and  an edgeedge with one Li(10)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-56°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(11), one O(15), one O(4), one O(5), and one O(7) atom to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(6)O5 square pyramid,  a cornercorner with one Li(9)O4 trigonal pyramid, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra,  an edgeedge with one Li(6)O5 square pyramid,  an edgeedge with one Mn(1)O6 square pyramid, and  an edgeedge with one Li(10)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-57°. In the fifth Mn site, Mn(5) is bonded to one O(12), one O(13), one O(14), one O(16), one O(6), and one O(9) atom to form distorted MnO6 octahedra that share corners with two equivalent Mn(1)O6 square pyramids,  a cornercorner with one Li(10)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and  an edgeedge with one Li(9)O4 trigonal pyramid. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(4), one Li(7), one Li(9), one Ti(1), one Mn(3), and one Mn(4) atom to form distorted OLi3TiMn2 octahedra that share  a cornercorner with one O(3)Li3TiMn2 octahedra,  a cornercorner with one O(5)Li3TiMn2 octahedra, corners with three equivalent O(4)Li3TiMn2 pentagonal pyramids,  a cornercorner with one O(9)Li2TiMn2 trigonal bipyramid,  an edgeedge with one O(3)Li3TiMn2 octahedra,  an edgeedge with one O(5)Li3TiMn2 octahedra, and edges with two equivalent O(7)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles are 80°. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(3), one Li(4), one Li(7), one Li(9), one Ti(2), one Ti(3), and one Mn(1) atom. In the third O site, O(3) is bonded to one Li(6), one Li(7), one Li(8), one Ti(1), one Mn(1), and one Mn(3) atom to form OLi3TiMn2 octahedra that share  a cornercorner with one O(1)Li3TiMn2 octahedra,  a cornercorner with one O(9)Li2TiMn2 trigonal bipyramid,  an edgeedge with one O(1)Li3TiMn2 octahedra, edges with two equivalent O(7)Li3Mn3 octahedra, edges with two equivalent O(5)Li3TiMn2 octahedra, and  an edgeedge with one O(4)Li3TiMn2 pentagonal pyramid. The corner-sharing octahedral tilt angles are 80°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(5), one Ti(1), one Mn(3), and one Mn(4) atom to form distorted OLi3TiMn2 pentagonal pyramids that share corners with three equivalent O(1)Li3TiMn2 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(10)Li3Ti2Mn octahedra,  an edgeedge with one O(12)Li3TiMn2 octahedra,  an edgeedge with one O(14)Li3TiMn2 octahedra,  an edgeedge with one O(3)Li3TiMn2 octahedra, and  an edgeedge with one O(5)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the fifth O site, O(5) is bonded to one Li(4), one Li(6), one Li(8), one Ti(1), one Mn(1), and one Mn(4) atom to form OLi3TiMn2 octahedra that share  a cornercorner with one O(1)Li3TiMn2 octahedra,  a cornercorner with one O(9)Li2TiMn2 trigonal bipyramid,  an edgeedge with one O(1)Li3TiMn2 octahedra, edges with two equivalent O(7)Li3Mn3 octahedra, edges with two equivalent O(3)Li3TiMn2 octahedra, and  an edgeedge with one O(4)Li3TiMn2 pentagonal pyramid. The corner-sharing octahedral tilt angles are 80°. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(3), one Li(9), one Ti(2), one Mn(1), and one Mn(5) atom. In the seventh O site, O(7) is bonded to one Li(4), one Li(6), one Li(7), one Mn(1), one Mn(3), and one Mn(4) atom to form OLi3Mn3 octahedra that share  a cornercorner with one O(9)Li2TiMn2 trigonal bipyramid, edges with two equivalent O(1)Li3TiMn2 octahedra, edges with two equivalent O(3)Li3TiMn2 octahedra, edges with two equivalent O(5)Li3TiMn2 octahedra, and  an edgeedge with one O(4)Li3TiMn2 pentagonal pyramid. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Li(1), one Li(10), one Li(6), one Ti(1), one Mn(2), and one Mn(3) atom. In the ninth O site, O(9) is bonded to one Li(3), one Li(9), one Ti(3), one Mn(1), and one Mn(5) atom to form distorted OLi2TiMn2 trigonal bipyramids that share  a cornercorner with one O(7)Li3Mn3 octahedra,  a cornercorner with one O(1)Li3TiMn2 octahedra,  a cornercorner with one O(3)Li3TiMn2 octahedra,  a cornercorner with one O(5)Li3TiMn2 octahedra, corners with three equivalent O(14)Li3TiMn2 octahedra,  an edgeedge with one O(10)Li3Ti2Mn octahedra, and  an edgeedge with one O(12)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 2-86°. In the tenth O site, O(10) is bonded to one Li(2), one Li(3), one Li(5), one Ti(2), one Ti(3), and one Mn(2) atom to form distorted OLi3Ti2Mn octahedra that share edges with two equivalent O(12)Li3TiMn2 octahedra, edges with two equivalent O(14)Li3TiMn2 octahedra,  an edgeedge with one O(4)Li3TiMn2 pentagonal pyramid, and  an edgeedge with one O(9)Li2TiMn2 trigonal bipyramid. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to one Li(1), one Li(10), one Li(6), one Ti(1), one Mn(2), and one Mn(4) atom. In the twelfth O site, O(12) is bonded to one Li(1), one Li(3), one Li(5), one Ti(2), one Mn(2), and one Mn(5) atom to form distorted OLi3TiMn2 octahedra that share edges with two equivalent O(10)Li3Ti2Mn octahedra, edges with two equivalent O(14)Li3TiMn2 octahedra,  an edgeedge with one O(4)Li3TiMn2 pentagonal pyramid, and  an edgeedge with one O(9)Li2TiMn2 trigonal bipyramid. In the thirteenth O site, O(13) is bonded in a 6-coordinate geometry to one Li(4), one Li(7), one Li(8), one Ti(2), one Ti(3), and one Mn(5) atom. In the fourteenth O site, O(14) is bonded to one Li(1), one Li(2), one Li(3), one Ti(3), one Mn(2), and one Mn(5) atom to form distorted OLi3TiMn2 octahedra that share corners with three equivalent O(9)Li2TiMn2 trigonal bipyramids, edges with two equivalent O(10)Li3Ti2Mn octahedra, edges with two equivalent O(12)Li3TiMn2 octahedra, and  an edgeedge with one O(4)Li3TiMn2 pentagonal pyramid. In the fifteenth O site, O(15) is bonded in a 6-coordinate geometry to one Li(10), one Li(2), one Li(5), one Mn(2), one Mn(3), and one Mn(4) atom. In the sixteenth O site, O(16) is bonded in a 5-coordinate geometry to one Li(1), one Li(10), one Ti(2), one Ti(3), and one Mn(5) atom. is represented by the CIF card [CIF]
data_Li10Ti3Mn5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.032
_cell_length_b   6.222
_cell_length_c   10.109
_cell_angle_alpha   91.713
_cell_angle_beta   90.154
_cell_angle_gamma   118.740
_symmetry_Int_Tables_number   1
_cell_volume   332.436
_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  0.819  0.629  0.562  1.0
  Li  Li1  1  0.421  0.258  0.547  1.0
  Li  Li2  1  0.684  0.359  0.778  1.0
  Li  Li3  1  0.178  0.814  0.077  1.0
  Li  Li4  1  0.858  0.254  0.547  1.0
  Li  Li5  1  0.357  0.698  0.269  1.0
  Li  Li6  1  0.646  0.812  0.075  1.0
  Li  Li7  1  0.237  0.460  0.053  1.0
  Li  Li8  1  0.025  0.045  0.991  1.0
  Li  Li9  1  0.007  0.988  0.486  1.0
  Ti  Ti10  1  0.835  0.654  0.290  1.0
  Ti  Ti11  1  0.163  0.846  0.792  1.0
  Ti  Ti12  1  0.670  0.865  0.781  1.0
  Mn  Mn13  1  0.655  0.300  0.036  1.0
  Mn  Mn14  1  0.343  0.671  0.520  1.0
  Mn  Mn15  1  0.340  0.172  0.286  1.0
  Mn  Mn16  1  0.848  0.171  0.286  1.0
  Mn  Mn17  1  0.188  0.357  0.780  1.0
  O  O18  1  0.983  0.954  0.171  1.0
  O  O19  1  0.877  0.728  0.897  1.0
  O  O20  1  0.521  0.504  0.165  1.0
  O  O21  1  0.693  0.365  0.410  1.0
  O  O22  1  0.996  0.502  0.164  1.0
  O  O23  1  0.333  0.163  0.896  1.0
  O  O24  1  0.507  1.000  0.163  1.0
  O  O25  1  0.146  0.809  0.398  1.0
  O  O26  1  0.840  0.165  0.894  1.0
  O  O27  1  0.513  0.001  0.673  1.0
  O  O28  1  0.685  0.810  0.401  1.0
  O  O29  1  0.030  0.548  0.675  1.0
  O  O30  1  0.368  0.718  0.897  1.0
  O  O31  1  0.532  0.548  0.676  1.0
  O  O32  1  0.163  0.305  0.434  1.0
  O  O33  1  0.997  0.982  0.675  1.0
[/CIF]
.
The crystal structure described by Li10Ti3Mn5O16 crystallizes in the triclinic P1 space group. There are ten inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(14), one O(16), one O(4), and one O(8) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(10), one O(14), one O(15), and one O(4) atom. In the third Li site, Li(3) is bonded to one O(10), one O(12), one O(14), one O(2), one O(6), and one O(9) atom to form distorted LiO6 octahedra that share corners with three equivalent Mn(2)O6 octahedra, corners with three equivalent Li(9)O4 trigonal pyramids, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, and  a faceface with one Mn(1)O6 square pyramid. The corner-sharing octahedral tilt angles range from 13-16°. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(1), one O(13), one O(2), one O(5), and one O(7) atom. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(10), one O(12), one O(15), and one O(4) atom. In the sixth Li site, Li(6) is bonded to one O(11), one O(3), one O(5), one O(7), and one O(8) atom to form distorted LiO5 square pyramids that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, corners with three equivalent Mn(1)O6 square pyramids, corners with two equivalent Li(10)O4 tetrahedra,  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 84-85°. In the seventh Li site, Li(7) is bonded in a 5-coordinate geometry to one O(1), one O(13), one O(2), one O(3), and one O(7) atom. In the eighth Li site, Li(8) is bonded in a trigonal non-coplanar geometry to one O(13), one O(3), and one O(5) atom. In the ninth Li site, Li(9) is bonded to one O(1), one O(2), one O(6), and one O(9) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Mn(1)O6 square pyramids,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, and  an edgeedge with one Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-70°. In the tenth Li site, Li(10) is bonded to one O(11), one O(15), one O(16), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, corners with two equivalent Li(6)O5 square pyramids,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, and  an edgeedge with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-65°. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(11), one O(3), one O(4), one O(5), and one O(8) atom to form TiO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(9)O4 trigonal pyramid, edges with two equivalent Mn(3)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra,  an edgeedge with one Mn(1)O6 square pyramid, edges with two equivalent Li(6)O5 square pyramids, and  an edgeedge with one Li(10)O4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. In the second Ti site, Ti(2) is bonded to one O(10), one O(12), one O(13), one O(16), one O(2), and one O(6) atom to form TiO6 octahedra that share corners with two equivalent Mn(1)O6 square pyramids,  a cornercorner with one Li(10)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, and  an edgeedge with one Li(9)O4 trigonal pyramid. In the third Ti site, Ti(3) is bonded to one O(10), one O(13), one O(14), one O(16), one O(2), and one O(9) atom to form TiO6 octahedra that share corners with two equivalent Mn(1)O6 square pyramids,  a cornercorner with one Li(10)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, and  an edgeedge with one Li(9)O4 trigonal pyramid. There are five 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(9) atom to form distorted MnO6 square pyramids that share corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Mn(5)O6 octahedra, corners with three equivalent Li(6)O5 square pyramids, corners with three equivalent Li(9)O4 trigonal pyramids,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, and  a faceface with one Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. In the second Mn site, Mn(2) is bonded to one O(10), one O(11), one O(12), one O(14), one O(15), and one O(8) atom to form distorted MnO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(10)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, and  an edgeedge with one Li(6)O5 square pyramid. The corner-sharing octahedral tilt angles range from 13-57°. In the third Mn site, Mn(3) is bonded to one O(1), one O(15), one O(3), one O(4), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(6)O5 square pyramid,  a cornercorner with one Li(9)O4 trigonal pyramid, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra,  an edgeedge with one Li(6)O5 square pyramid,  an edgeedge with one Mn(1)O6 square pyramid, and  an edgeedge with one Li(10)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-56°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(11), one O(15), one O(4), one O(5), and one O(7) atom to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(6)O5 square pyramid,  a cornercorner with one Li(9)O4 trigonal pyramid, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra,  an edgeedge with one Li(6)O5 square pyramid,  an edgeedge with one Mn(1)O6 square pyramid, and  an edgeedge with one Li(10)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-57°. In the fifth Mn site, Mn(5) is bonded to one O(12), one O(13), one O(14), one O(16), one O(6), and one O(9) atom to form distorted MnO6 octahedra that share corners with two equivalent Mn(1)O6 square pyramids,  a cornercorner with one Li(10)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and  an edgeedge with one Li(9)O4 trigonal pyramid. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(4), one Li(7), one Li(9), one Ti(1), one Mn(3), and one Mn(4) atom to form distorted OLi3TiMn2 octahedra that share  a cornercorner with one O(3)Li3TiMn2 octahedra,  a cornercorner with one O(5)Li3TiMn2 octahedra, corners with three equivalent O(4)Li3TiMn2 pentagonal pyramids,  a cornercorner with one O(9)Li2TiMn2 trigonal bipyramid,  an edgeedge with one O(3)Li3TiMn2 octahedra,  an edgeedge with one O(5)Li3TiMn2 octahedra, and edges with two equivalent O(7)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles are 80°. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(3), one Li(4), one Li(7), one Li(9), one Ti(2), one Ti(3), and one Mn(1) atom. In the third O site, O(3) is bonded to one Li(6), one Li(7), one Li(8), one Ti(1), one Mn(1), and one Mn(3) atom to form OLi3TiMn2 octahedra that share  a cornercorner with one O(1)Li3TiMn2 octahedra,  a cornercorner with one O(9)Li2TiMn2 trigonal bipyramid,  an edgeedge with one O(1)Li3TiMn2 octahedra, edges with two equivalent O(7)Li3Mn3 octahedra, edges with two equivalent O(5)Li3TiMn2 octahedra, and  an edgeedge with one O(4)Li3TiMn2 pentagonal pyramid. The corner-sharing octahedral tilt angles are 80°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(5), one Ti(1), one Mn(3), and one Mn(4) atom to form distorted OLi3TiMn2 pentagonal pyramids that share corners with three equivalent O(1)Li3TiMn2 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(10)Li3Ti2Mn octahedra,  an edgeedge with one O(12)Li3TiMn2 octahedra,  an edgeedge with one O(14)Li3TiMn2 octahedra,  an edgeedge with one O(3)Li3TiMn2 octahedra, and  an edgeedge with one O(5)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the fifth O site, O(5) is bonded to one Li(4), one Li(6), one Li(8), one Ti(1), one Mn(1), and one Mn(4) atom to form OLi3TiMn2 octahedra that share  a cornercorner with one O(1)Li3TiMn2 octahedra,  a cornercorner with one O(9)Li2TiMn2 trigonal bipyramid,  an edgeedge with one O(1)Li3TiMn2 octahedra, edges with two equivalent O(7)Li3Mn3 octahedra, edges with two equivalent O(3)Li3TiMn2 octahedra, and  an edgeedge with one O(4)Li3TiMn2 pentagonal pyramid. The corner-sharing octahedral tilt angles are 80°. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(3), one Li(9), one Ti(2), one Mn(1), and one Mn(5) atom. In the seventh O site, O(7) is bonded to one Li(4), one Li(6), one Li(7), one Mn(1), one Mn(3), and one Mn(4) atom to form OLi3Mn3 octahedra that share  a cornercorner with one O(9)Li2TiMn2 trigonal bipyramid, edges with two equivalent O(1)Li3TiMn2 octahedra, edges with two equivalent O(3)Li3TiMn2 octahedra, edges with two equivalent O(5)Li3TiMn2 octahedra, and  an edgeedge with one O(4)Li3TiMn2 pentagonal pyramid. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Li(1), one Li(10), one Li(6), one Ti(1), one Mn(2), and one Mn(3) atom. In the ninth O site, O(9) is bonded to one Li(3), one Li(9), one Ti(3), one Mn(1), and one Mn(5) atom to form distorted OLi2TiMn2 trigonal bipyramids that share  a cornercorner with one O(7)Li3Mn3 octahedra,  a cornercorner with one O(1)Li3TiMn2 octahedra,  a cornercorner with one O(3)Li3TiMn2 octahedra,  a cornercorner with one O(5)Li3TiMn2 octahedra, corners with three equivalent O(14)Li3TiMn2 octahedra,  an edgeedge with one O(10)Li3Ti2Mn octahedra, and  an edgeedge with one O(12)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 2-86°. In the tenth O site, O(10) is bonded to one Li(2), one Li(3), one Li(5), one Ti(2), one Ti(3), and one Mn(2) atom to form distorted OLi3Ti2Mn octahedra that share edges with two equivalent O(12)Li3TiMn2 octahedra, edges with two equivalent O(14)Li3TiMn2 octahedra,  an edgeedge with one O(4)Li3TiMn2 pentagonal pyramid, and  an edgeedge with one O(9)Li2TiMn2 trigonal bipyramid. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to one Li(1), one Li(10), one Li(6), one Ti(1), one Mn(2), and one Mn(4) atom. In the twelfth O site, O(12) is bonded to one Li(1), one Li(3), one Li(5), one Ti(2), one Mn(2), and one Mn(5) atom to form distorted OLi3TiMn2 octahedra that share edges with two equivalent O(10)Li3Ti2Mn octahedra, edges with two equivalent O(14)Li3TiMn2 octahedra,  an edgeedge with one O(4)Li3TiMn2 pentagonal pyramid, and  an edgeedge with one O(9)Li2TiMn2 trigonal bipyramid. In the thirteenth O site, O(13) is bonded in a 6-coordinate geometry to one Li(4), one Li(7), one Li(8), one Ti(2), one Ti(3), and one Mn(5) atom. In the fourteenth O site, O(14) is bonded to one Li(1), one Li(2), one Li(3), one Ti(3), one Mn(2), and one Mn(5) atom to form distorted OLi3TiMn2 octahedra that share corners with three equivalent O(9)Li2TiMn2 trigonal bipyramids, edges with two equivalent O(10)Li3Ti2Mn octahedra, edges with two equivalent O(12)Li3TiMn2 octahedra, and  an edgeedge with one O(4)Li3TiMn2 pentagonal pyramid. In the fifteenth O site, O(15) is bonded in a 6-coordinate geometry to one Li(10), one Li(2), one Li(5), one Mn(2), one Mn(3), and one Mn(4) atom. In the sixteenth O site, O(16) is bonded in a 5-coordinate geometry to one Li(1), one Li(10), one Ti(2), one Ti(3), and one Mn(5) atom. is represented by the CIF card [CIF]
data_Li10Ti3Mn5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.032
_cell_length_b   6.222
_cell_length_c   10.109
_cell_angle_alpha   91.713
_cell_angle_beta   90.154
_cell_angle_gamma   118.740
_symmetry_Int_Tables_number   1
_cell_volume   332.436
_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  0.819  0.629  0.562  1.0
  Li  Li1  1  0.421  0.258  0.547  1.0
  Li  Li2  1  0.684  0.359  0.778  1.0
  Li  Li3  1  0.178  0.814  0.077  1.0
  Li  Li4  1  0.858  0.254  0.547  1.0
  Li  Li5  1  0.357  0.698  0.269  1.0
  Li  Li6  1  0.646  0.812  0.075  1.0
  Li  Li7  1  0.237  0.460  0.053  1.0
  Li  Li8  1  0.025  0.045  0.991  1.0
  Li  Li9  1  0.007  0.988  0.486  1.0
  Ti  Ti10  1  0.835  0.654  0.290  1.0
  Ti  Ti11  1  0.163  0.846  0.792  1.0
  Ti  Ti12  1  0.670  0.865  0.781  1.0
  Mn  Mn13  1  0.655  0.300  0.036  1.0
  Mn  Mn14  1  0.343  0.671  0.520  1.0
  Mn  Mn15  1  0.340  0.172  0.286  1.0
  Mn  Mn16  1  0.848  0.171  0.286  1.0
  Mn  Mn17  1  0.188  0.357  0.780  1.0
  O  O18  1  0.983  0.954  0.171  1.0
  O  O19  1  0.877  0.728  0.897  1.0
  O  O20  1  0.521  0.504  0.165  1.0
  O  O21  1  0.693  0.365  0.410  1.0
  O  O22  1  0.996  0.502  0.164  1.0
  O  O23  1  0.333  0.163  0.896  1.0
  O  O24  1  0.507  1.000  0.163  1.0
  O  O25  1  0.146  0.809  0.398  1.0
  O  O26  1  0.840  0.165  0.894  1.0
  O  O27  1  0.513  0.001  0.673  1.0
  O  O28  1  0.685  0.810  0.401  1.0
  O  O29  1  0.030  0.548  0.675  1.0
  O  O30  1  0.368  0.718  0.897  1.0
  O  O31  1  0.532  0.548  0.676  1.0
  O  O32  1  0.163  0.305  0.434  1.0
  O  O33  1  0.997  0.982  0.675  1.0
[/CIF]
.