The crystal structure described by Li10Ti2Mn3Ni3O16 crystallizes in the triclinic P1 space group. There are ten inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(15), one O(2), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and  an edgeedge with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-63°. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(12), one O(13), one O(5), and one O(7) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(10), one O(14), one O(2), one O(3), one O(8), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(13), one O(16), one O(4), and one O(5) atom. In the fifth Li site, Li(5) is bonded to one O(10), one O(13), one O(15), one O(3), one O(4), and one O(7) atom to form distorted LiO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and  a faceface with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. In the sixth Li site, Li(6) is bonded to one O(12), one O(14), one O(16), one O(5), one O(6), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Li(10)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the seventh Li site, Li(7) is bonded in a 5-coordinate geometry to one O(14), one O(15), one O(2), one O(3), one O(6), and one O(8) atom. In the eighth Li site, Li(8) is bonded in a 3-coordinate geometry to one O(1), one O(11), one O(12), one O(16), one O(4), and one O(7) atom. In the ninth Li site, Li(9) is bonded in a 6-coordinate geometry to one O(10), one O(15), one O(2), one O(6), one O(8), and one O(9) atom. In the tenth Li site, Li(10) is bonded to one O(1), one O(12), one O(16), and one O(5) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, corners with three equivalent Li(6)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, and  an edgeedge with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-63°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(12), one O(13), one O(16), one O(4), one O(5), and one O(7) atom to form TiO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Li(10)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, and  a faceface with one Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-54°. In the second Ti site, Ti(2) is bonded to one O(10), one O(14), one O(15), one O(3), one O(6), and one O(9) atom to form TiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Li(6)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, and  a faceface with one Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-54°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(10), one O(3), one O(4), one O(7), and one O(8) atom to form distorted MnO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra,  a cornercorner with one Li(10)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-54°. In the second Mn site, Mn(2) is bonded to one O(11), one O(12), one O(2), one O(5), one O(6), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and  an edgeedge with one Li(10)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-54°. In the third Mn site, Mn(3) is bonded to one O(11), one O(14), one O(16), one O(2), one O(5), and one O(6) atom to form distorted MnO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and  an edgeedge with one Li(10)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-53°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(13), one O(15), one O(3), one O(4), and one O(8) atom to form NiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra,  a cornercorner with one Li(10)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-46°. In the second Ni site, Ni(2) is bonded to one O(1), one O(10), one O(13), one O(15), one O(7), and one O(8) atom to form NiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra,  a cornercorner with one Li(10)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-51°. In the third Ni site, Ni(3) is bonded to one O(11), one O(12), one O(14), one O(16), one O(2), and one O(9) atom to form NiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and  an edgeedge with one Li(10)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-45°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Li(10), one Li(2), one Li(4), one Li(8), one Mn(1), one Ni(1), and one Ni(2) atom. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(1), one Li(3), one Li(7), one Li(9), one Mn(2), one Mn(3), and one Ni(3) atom. In the third O site, O(3) is bonded in a 7-coordinate geometry to one Li(1), one Li(3), one Li(5), one Li(7), one Ti(2), one Mn(1), and one Ni(1) atom. In the fourth O site, O(4) is bonded to one Li(4), one Li(5), one Li(8), one Ti(1), one Mn(1), and one Ni(1) atom to form OLi3TiMnNi octahedra that share edges with two equivalent O(7)Li3TiMnNi octahedra, edges with two equivalent O(13)Li3TiNi2 octahedra,  an edgeedge with one O(11)Li3Mn2Ni pentagonal pyramid, and  an edgeedge with one O(8)Li3MnNi2 pentagonal pyramid. In the fifth O site, O(5) is bonded in a 7-coordinate geometry to one Li(10), one Li(2), one Li(4), one Li(6), one Ti(1), one Mn(2), and one Mn(3) atom. In the sixth O site, O(6) is bonded to one Li(6), one Li(7), one Li(9), one Ti(2), one Mn(2), and one Mn(3) atom to form OLi3TiMn2 octahedra that share edges with two equivalent O(14)Li3TiMnNi octahedra, edges with two equivalent O(9)Li3TiMnNi octahedra,  an edgeedge with one O(11)Li3Mn2Ni pentagonal pyramid, and  an edgeedge with one O(8)Li3MnNi2 pentagonal pyramid. In the seventh O site, O(7) is bonded to one Li(2), one Li(5), one Li(8), one Ti(1), one Mn(1), and one Ni(2) atom to form OLi3TiMnNi octahedra that share edges with two equivalent O(4)Li3TiMnNi octahedra, edges with two equivalent O(13)Li3TiNi2 octahedra,  an edgeedge with one O(11)Li3Mn2Ni pentagonal pyramid, and  an edgeedge with one O(8)Li3MnNi2 pentagonal pyramid. In the eighth O site, O(8) is bonded to one Li(3), one Li(7), one Li(9), one Mn(1), one Ni(1), and one Ni(2) atom to form distorted OLi3MnNi2 pentagonal pyramids that share  an edgeedge with one O(6)Li3TiMn2 octahedra,  an edgeedge with one O(14)Li3TiMnNi octahedra,  an edgeedge with one O(4)Li3TiMnNi octahedra,  an edgeedge with one O(7)Li3TiMnNi octahedra,  an edgeedge with one O(9)Li3TiMnNi octahedra, and  an edgeedge with one O(13)Li3TiNi2 octahedra. In the ninth O site, O(9) is bonded to one Li(3), one Li(6), one Li(9), one Ti(2), one Mn(2), and one Ni(3) atom to form OLi3TiMnNi octahedra that share edges with two equivalent O(6)Li3TiMn2 octahedra, edges with two equivalent O(14)Li3TiMnNi octahedra,  an edgeedge with one O(11)Li3Mn2Ni pentagonal pyramid, and  an edgeedge with one O(8)Li3MnNi2 pentagonal pyramid. In the tenth O site, O(10) is bonded in a 7-coordinate geometry to one Li(1), one Li(3), one Li(5), one Li(9), one Ti(2), one Mn(1), and one Ni(2) atom. In the eleventh O site, O(11) is bonded to one Li(2), one Li(4), one Li(8), one Mn(2), one Mn(3), and one Ni(3) atom to form distorted OLi3Mn2Ni pentagonal pyramids that share  an edgeedge with one O(6)Li3TiMn2 octahedra,  an edgeedge with one O(14)Li3TiMnNi octahedra,  an edgeedge with one O(4)Li3TiMnNi octahedra,  an edgeedge with one O(7)Li3TiMnNi octahedra,  an edgeedge with one O(9)Li3TiMnNi octahedra, and  an edgeedge with one O(13)Li3TiNi2 octahedra. In the twelfth O site, O(12) is bonded in a 7-coordinate geometry to one Li(10), one Li(2), one Li(6), one Li(8), one Ti(1), one Mn(2), and one Ni(3) atom. In the thirteenth O site, O(13) is bonded to one Li(2), one Li(4), one Li(5), one Ti(1), one Ni(1), and one Ni(2) atom to form OLi3TiNi2 octahedra that share edges with two equivalent O(4)Li3TiMnNi octahedra, edges with two equivalent O(7)Li3TiMnNi octahedra,  an edgeedge with one O(11)Li3Mn2Ni pentagonal pyramid, and  an edgeedge with one O(8)Li3MnNi2 pentagonal pyramid. In the fourteenth O site, O(14) is bonded to one Li(3), one Li(6), one Li(7), one Ti(2), one Mn(3), and one Ni(3) atom to form OLi3TiMnNi octahedra that share edges with two equivalent O(6)Li3TiMn2 octahedra, edges with two equivalent O(9)Li3TiMnNi octahedra,  an edgeedge with one O(11)Li3Mn2Ni pentagonal pyramid, and  an edgeedge with one O(8)Li3MnNi2 pentagonal pyramid. In the fifteenth O site, O(15) is bonded in a 7-coordinate geometry to one Li(1), one Li(5), one Li(7), one Li(9), one Ti(2), one Ni(1), and one Ni(2) atom. In the sixteenth O site, O(16) is bonded in a 7-coordinate geometry to one Li(10), one Li(4), one Li(6), one Li(8), one Ti(1), one Mn(3), and one Ni(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li10Ti2Mn3Ni3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.951
_cell_length_b   5.979
_cell_length_c   9.861
_cell_angle_alpha   90.361
_cell_angle_beta   91.234
_cell_angle_gamma   119.466
_symmetry_Int_Tables_number   1
_cell_volume   305.373
_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  0.004  0.004  0.529  1.0
  Li  Li1  1  0.819  0.201  0.954  1.0
  Li  Li2  1  0.614  0.804  0.458  1.0
  Li  Li3  1  0.806  0.614  0.956  1.0
  Li  Li4  1  0.657  0.332  0.747  1.0
  Li  Li5  1  0.328  0.665  0.246  1.0
  Li  Li6  1  0.194  0.403  0.470  1.0
  Li  Li7  1  0.402  0.199  0.965  1.0
  Li  Li8  1  0.199  0.810  0.464  1.0
  Li  Li9  1  0.009  1.000  0.027  1.0
  Ti  Ti10  1  0.325  0.653  0.982  1.0
  Ti  Ti11  1  0.647  0.321  0.486  1.0
  Mn  Mn12  1  0.658  0.827  0.726  1.0
  Mn  Mn13  1  0.831  0.166  0.228  1.0
  Mn  Mn14  1  0.824  0.655  0.227  1.0
  Ni  Ni15  1  0.167  0.338  0.728  1.0
  Ni  Ni16  1  0.167  0.831  0.729  1.0
  Ni  Ni17  1  0.338  0.168  0.227  1.0
  O  O18  1  0.982  0.993  0.834  1.0
  O  O19  1  0.993  0.975  0.335  1.0
  O  O20  1  0.837  0.187  0.589  1.0
  O  O21  1  0.486  0.502  0.857  1.0
  O  O22  1  0.670  0.813  0.098  1.0
  O  O23  1  0.977  0.504  0.355  1.0
  O  O24  1  0.500  0.978  0.854  1.0
  O  O25  1  0.344  0.676  0.613  1.0
  O  O26  1  0.505  0.021  0.362  1.0
  O  O27  1  0.819  0.666  0.599  1.0
  O  O28  1  0.675  0.349  0.109  1.0
  O  O29  1  0.181  0.348  0.089  1.0
  O  O30  1  0.022  0.513  0.855  1.0
  O  O31  1  0.493  0.481  0.360  1.0
  O  O32  1  0.348  0.175  0.597  1.0
  O  O33  1  0.196  0.838  0.090  1.0
[/CIF]
.
The crystal structure described by Li10Ti2Mn3Ni3O16 crystallizes in the triclinic P1 space group. There are ten inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(15), one O(2), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and  an edgeedge with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-63°. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(12), one O(13), one O(5), and one O(7) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(10), one O(14), one O(2), one O(3), one O(8), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(13), one O(16), one O(4), and one O(5) atom. In the fifth Li site, Li(5) is bonded to one O(10), one O(13), one O(15), one O(3), one O(4), and one O(7) atom to form distorted LiO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and  a faceface with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. In the sixth Li site, Li(6) is bonded to one O(12), one O(14), one O(16), one O(5), one O(6), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Li(10)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the seventh Li site, Li(7) is bonded in a 5-coordinate geometry to one O(14), one O(15), one O(2), one O(3), one O(6), and one O(8) atom. In the eighth Li site, Li(8) is bonded in a 3-coordinate geometry to one O(1), one O(11), one O(12), one O(16), one O(4), and one O(7) atom. In the ninth Li site, Li(9) is bonded in a 6-coordinate geometry to one O(10), one O(15), one O(2), one O(6), one O(8), and one O(9) atom. In the tenth Li site, Li(10) is bonded to one O(1), one O(12), one O(16), and one O(5) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, corners with three equivalent Li(6)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, and  an edgeedge with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-63°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(12), one O(13), one O(16), one O(4), one O(5), and one O(7) atom to form TiO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Li(10)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, and  a faceface with one Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-54°. In the second Ti site, Ti(2) is bonded to one O(10), one O(14), one O(15), one O(3), one O(6), and one O(9) atom to form TiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Li(6)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, and  a faceface with one Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-54°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(10), one O(3), one O(4), one O(7), and one O(8) atom to form distorted MnO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra,  a cornercorner with one Li(10)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-54°. In the second Mn site, Mn(2) is bonded to one O(11), one O(12), one O(2), one O(5), one O(6), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and  an edgeedge with one Li(10)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-54°. In the third Mn site, Mn(3) is bonded to one O(11), one O(14), one O(16), one O(2), one O(5), and one O(6) atom to form distorted MnO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and  an edgeedge with one Li(10)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-53°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(13), one O(15), one O(3), one O(4), and one O(8) atom to form NiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra,  a cornercorner with one Li(10)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-46°. In the second Ni site, Ni(2) is bonded to one O(1), one O(10), one O(13), one O(15), one O(7), and one O(8) atom to form NiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra,  a cornercorner with one Li(10)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-51°. In the third Ni site, Ni(3) is bonded to one O(11), one O(12), one O(14), one O(16), one O(2), and one O(9) atom to form NiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and  an edgeedge with one Li(10)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-45°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Li(10), one Li(2), one Li(4), one Li(8), one Mn(1), one Ni(1), and one Ni(2) atom. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(1), one Li(3), one Li(7), one Li(9), one Mn(2), one Mn(3), and one Ni(3) atom. In the third O site, O(3) is bonded in a 7-coordinate geometry to one Li(1), one Li(3), one Li(5), one Li(7), one Ti(2), one Mn(1), and one Ni(1) atom. In the fourth O site, O(4) is bonded to one Li(4), one Li(5), one Li(8), one Ti(1), one Mn(1), and one Ni(1) atom to form OLi3TiMnNi octahedra that share edges with two equivalent O(7)Li3TiMnNi octahedra, edges with two equivalent O(13)Li3TiNi2 octahedra,  an edgeedge with one O(11)Li3Mn2Ni pentagonal pyramid, and  an edgeedge with one O(8)Li3MnNi2 pentagonal pyramid. In the fifth O site, O(5) is bonded in a 7-coordinate geometry to one Li(10), one Li(2), one Li(4), one Li(6), one Ti(1), one Mn(2), and one Mn(3) atom. In the sixth O site, O(6) is bonded to one Li(6), one Li(7), one Li(9), one Ti(2), one Mn(2), and one Mn(3) atom to form OLi3TiMn2 octahedra that share edges with two equivalent O(14)Li3TiMnNi octahedra, edges with two equivalent O(9)Li3TiMnNi octahedra,  an edgeedge with one O(11)Li3Mn2Ni pentagonal pyramid, and  an edgeedge with one O(8)Li3MnNi2 pentagonal pyramid. In the seventh O site, O(7) is bonded to one Li(2), one Li(5), one Li(8), one Ti(1), one Mn(1), and one Ni(2) atom to form OLi3TiMnNi octahedra that share edges with two equivalent O(4)Li3TiMnNi octahedra, edges with two equivalent O(13)Li3TiNi2 octahedra,  an edgeedge with one O(11)Li3Mn2Ni pentagonal pyramid, and  an edgeedge with one O(8)Li3MnNi2 pentagonal pyramid. In the eighth O site, O(8) is bonded to one Li(3), one Li(7), one Li(9), one Mn(1), one Ni(1), and one Ni(2) atom to form distorted OLi3MnNi2 pentagonal pyramids that share  an edgeedge with one O(6)Li3TiMn2 octahedra,  an edgeedge with one O(14)Li3TiMnNi octahedra,  an edgeedge with one O(4)Li3TiMnNi octahedra,  an edgeedge with one O(7)Li3TiMnNi octahedra,  an edgeedge with one O(9)Li3TiMnNi octahedra, and  an edgeedge with one O(13)Li3TiNi2 octahedra. In the ninth O site, O(9) is bonded to one Li(3), one Li(6), one Li(9), one Ti(2), one Mn(2), and one Ni(3) atom to form OLi3TiMnNi octahedra that share edges with two equivalent O(6)Li3TiMn2 octahedra, edges with two equivalent O(14)Li3TiMnNi octahedra,  an edgeedge with one O(11)Li3Mn2Ni pentagonal pyramid, and  an edgeedge with one O(8)Li3MnNi2 pentagonal pyramid. In the tenth O site, O(10) is bonded in a 7-coordinate geometry to one Li(1), one Li(3), one Li(5), one Li(9), one Ti(2), one Mn(1), and one Ni(2) atom. In the eleventh O site, O(11) is bonded to one Li(2), one Li(4), one Li(8), one Mn(2), one Mn(3), and one Ni(3) atom to form distorted OLi3Mn2Ni pentagonal pyramids that share  an edgeedge with one O(6)Li3TiMn2 octahedra,  an edgeedge with one O(14)Li3TiMnNi octahedra,  an edgeedge with one O(4)Li3TiMnNi octahedra,  an edgeedge with one O(7)Li3TiMnNi octahedra,  an edgeedge with one O(9)Li3TiMnNi octahedra, and  an edgeedge with one O(13)Li3TiNi2 octahedra. In the twelfth O site, O(12) is bonded in a 7-coordinate geometry to one Li(10), one Li(2), one Li(6), one Li(8), one Ti(1), one Mn(2), and one Ni(3) atom. In the thirteenth O site, O(13) is bonded to one Li(2), one Li(4), one Li(5), one Ti(1), one Ni(1), and one Ni(2) atom to form OLi3TiNi2 octahedra that share edges with two equivalent O(4)Li3TiMnNi octahedra, edges with two equivalent O(7)Li3TiMnNi octahedra,  an edgeedge with one O(11)Li3Mn2Ni pentagonal pyramid, and  an edgeedge with one O(8)Li3MnNi2 pentagonal pyramid. In the fourteenth O site, O(14) is bonded to one Li(3), one Li(6), one Li(7), one Ti(2), one Mn(3), and one Ni(3) atom to form OLi3TiMnNi octahedra that share edges with two equivalent O(6)Li3TiMn2 octahedra, edges with two equivalent O(9)Li3TiMnNi octahedra,  an edgeedge with one O(11)Li3Mn2Ni pentagonal pyramid, and  an edgeedge with one O(8)Li3MnNi2 pentagonal pyramid. In the fifteenth O site, O(15) is bonded in a 7-coordinate geometry to one Li(1), one Li(5), one Li(7), one Li(9), one Ti(2), one Ni(1), and one Ni(2) atom. In the sixteenth O site, O(16) is bonded in a 7-coordinate geometry to one Li(10), one Li(4), one Li(6), one Li(8), one Ti(1), one Mn(3), and one Ni(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li10Ti2Mn3Ni3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.951
_cell_length_b   5.979
_cell_length_c   9.861
_cell_angle_alpha   90.361
_cell_angle_beta   91.234
_cell_angle_gamma   119.466
_symmetry_Int_Tables_number   1
_cell_volume   305.373
_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  0.004  0.004  0.529  1.0
  Li  Li1  1  0.819  0.201  0.954  1.0
  Li  Li2  1  0.614  0.804  0.458  1.0
  Li  Li3  1  0.806  0.614  0.956  1.0
  Li  Li4  1  0.657  0.332  0.747  1.0
  Li  Li5  1  0.328  0.665  0.246  1.0
  Li  Li6  1  0.194  0.403  0.470  1.0
  Li  Li7  1  0.402  0.199  0.965  1.0
  Li  Li8  1  0.199  0.810  0.464  1.0
  Li  Li9  1  0.009  1.000  0.027  1.0
  Ti  Ti10  1  0.325  0.653  0.982  1.0
  Ti  Ti11  1  0.647  0.321  0.486  1.0
  Mn  Mn12  1  0.658  0.827  0.726  1.0
  Mn  Mn13  1  0.831  0.166  0.228  1.0
  Mn  Mn14  1  0.824  0.655  0.227  1.0
  Ni  Ni15  1  0.167  0.338  0.728  1.0
  Ni  Ni16  1  0.167  0.831  0.729  1.0
  Ni  Ni17  1  0.338  0.168  0.227  1.0
  O  O18  1  0.982  0.993  0.834  1.0
  O  O19  1  0.993  0.975  0.335  1.0
  O  O20  1  0.837  0.187  0.589  1.0
  O  O21  1  0.486  0.502  0.857  1.0
  O  O22  1  0.670  0.813  0.098  1.0
  O  O23  1  0.977  0.504  0.355  1.0
  O  O24  1  0.500  0.978  0.854  1.0
  O  O25  1  0.344  0.676  0.613  1.0
  O  O26  1  0.505  0.021  0.362  1.0
  O  O27  1  0.819  0.666  0.599  1.0
  O  O28  1  0.675  0.349  0.109  1.0
  O  O29  1  0.181  0.348  0.089  1.0
  O  O30  1  0.022  0.513  0.855  1.0
  O  O31  1  0.493  0.481  0.360  1.0
  O  O32  1  0.348  0.175  0.597  1.0
  O  O33  1  0.196  0.838  0.090  1.0
[/CIF]
.