The crystal structure described by Li4Ti2Nb3Mn3O16 is Hausmannite-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one Nb(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and corners with four equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-67°. In the second Li site, Li(2) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-62°. In the third Li site, Li(3) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Nb(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-67°. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-67°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form distorted TiO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Nb(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one Nb(1)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form NbO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Ti(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. In the second Nb site, Nb(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form NbO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, edges with two equivalent Nb(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 51-53°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted MnO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, edges with four equivalent Nb(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 48°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(1), one Nb(2), and one Mn(2) atom. In the second O site, O(2) is bonded to one Li(4), one Ti(1), and two equivalent Mn(1) atoms to form distorted corner-sharing OLiTiMn2 tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Nb(1), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one Nb(1), and two equivalent Mn(1) atoms to form corner-sharing OLiMn2Nb tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Nb(2), and one Mn(2) atom to form distorted OLiMnNb2 tetrahedra that share corners with four equivalent O(9)LiTiMnNb tetrahedra and corners with two equivalent O(12)LiTiNb2 trigonal pyramids. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(1), one Nb(1), and one Mn(1) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Ti(2), and two equivalent Mn(1) atoms. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Ti(1), and two equivalent Nb(2) atoms. In the ninth O site, O(9) is bonded to one Li(1), one Ti(2), one Nb(2), and one Mn(2) atom to form distorted OLiTiMnNb tetrahedra that share  a cornercorner with one O(9)LiTiMnNb tetrahedra, corners with two equivalent O(5)LiMnNb2 tetrahedra,  a cornercorner with one O(12)LiTiNb2 trigonal pyramid,  an edgeedge with one O(9)LiTiMnNb tetrahedra, and  an edgeedge with one O(12)LiTiNb2 trigonal pyramid. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), two equivalent Nb(2), and one Mn(2) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(2), one Nb(1), and one Mn(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), one Ti(2), and two equivalent Nb(2) atoms to form distorted OLiTiNb2 trigonal pyramids that share corners with two equivalent O(5)LiMnNb2 tetrahedra, corners with two equivalent O(9)LiTiMnNb tetrahedra, and edges with two equivalent O(9)LiTiMnNb tetrahedra. is represented by the CIF file [CIF]
data_Li4Ti2Mn3Nb3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.224
_cell_length_b   6.224
_cell_length_c   9.896
_cell_angle_alpha   88.189
_cell_angle_beta   88.189
_cell_angle_gamma   58.386
_symmetry_Int_Tables_number   1
_cell_volume   326.239
_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  0.669  0.669  0.904  1.0
  Li  Li1  1  0.002  0.002  0.998  1.0
  Li  Li2  1  0.007  0.007  0.486  1.0
  Li  Li3  1  0.336  0.336  0.398  1.0
  Ti  Ti4  1  0.641  0.641  0.480  1.0
  Ti  Ti5  1  0.329  0.329  0.005  1.0
  Mn  Mn6  1  0.827  0.336  0.204  1.0
  Mn  Mn7  1  0.336  0.827  0.204  1.0
  Mn  Mn8  1  0.169  0.169  0.706  1.0
  Nb  Nb9  1  0.823  0.823  0.228  1.0
  Nb  Nb10  1  0.659  0.164  0.719  1.0
  Nb  Nb11  1  0.164  0.659  0.719  1.0
  O  O12  1  0.815  0.338  0.592  1.0
  O  O13  1  0.524  0.524  0.356  1.0
  O  O14  1  0.684  0.684  0.103  1.0
  O  O15  1  0.989  0.989  0.302  1.0
  O  O16  1  0.001  0.001  0.815  1.0
  O  O17  1  0.338  0.815  0.592  1.0
  O  O18  1  0.963  0.531  0.352  1.0
  O  O19  1  0.531  0.963  0.352  1.0
  O  O20  1  0.173  0.173  0.081  1.0
  O  O21  1  0.842  0.842  0.601  1.0
  O  O22  1  0.498  0.045  0.844  1.0
  O  O23  1  0.045  0.498  0.844  1.0
  O  O24  1  0.343  0.343  0.598  1.0
  O  O25  1  0.648  0.159  0.094  1.0
  O  O26  1  0.485  0.485  0.842  1.0
  O  O27  1  0.159  0.648  0.094  1.0
[/CIF]
.
The crystal structure described by Li4Ti2Nb3Mn3O16 is Hausmannite-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one Nb(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and corners with four equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-67°. In the second Li site, Li(2) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-62°. In the third Li site, Li(3) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Nb(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-67°. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-67°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form distorted TiO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Nb(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one Nb(1)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form NbO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Ti(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. In the second Nb site, Nb(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form NbO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, edges with two equivalent Nb(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 51-53°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted MnO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, edges with four equivalent Nb(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 48°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(1), one Nb(2), and one Mn(2) atom. In the second O site, O(2) is bonded to one Li(4), one Ti(1), and two equivalent Mn(1) atoms to form distorted corner-sharing OLiTiMn2 tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Nb(1), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one Nb(1), and two equivalent Mn(1) atoms to form corner-sharing OLiMn2Nb tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Nb(2), and one Mn(2) atom to form distorted OLiMnNb2 tetrahedra that share corners with four equivalent O(9)LiTiMnNb tetrahedra and corners with two equivalent O(12)LiTiNb2 trigonal pyramids. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(1), one Nb(1), and one Mn(1) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Ti(2), and two equivalent Mn(1) atoms. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Ti(1), and two equivalent Nb(2) atoms. In the ninth O site, O(9) is bonded to one Li(1), one Ti(2), one Nb(2), and one Mn(2) atom to form distorted OLiTiMnNb tetrahedra that share  a cornercorner with one O(9)LiTiMnNb tetrahedra, corners with two equivalent O(5)LiMnNb2 tetrahedra,  a cornercorner with one O(12)LiTiNb2 trigonal pyramid,  an edgeedge with one O(9)LiTiMnNb tetrahedra, and  an edgeedge with one O(12)LiTiNb2 trigonal pyramid. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), two equivalent Nb(2), and one Mn(2) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(2), one Nb(1), and one Mn(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), one Ti(2), and two equivalent Nb(2) atoms to form distorted OLiTiNb2 trigonal pyramids that share corners with two equivalent O(5)LiMnNb2 tetrahedra, corners with two equivalent O(9)LiTiMnNb tetrahedra, and edges with two equivalent O(9)LiTiMnNb tetrahedra. is represented by the CIF file [CIF]
data_Li4Ti2Mn3Nb3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.224
_cell_length_b   6.224
_cell_length_c   9.896
_cell_angle_alpha   88.189
_cell_angle_beta   88.189
_cell_angle_gamma   58.386
_symmetry_Int_Tables_number   1
_cell_volume   326.239
_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  0.669  0.669  0.904  1.0
  Li  Li1  1  0.002  0.002  0.998  1.0
  Li  Li2  1  0.007  0.007  0.486  1.0
  Li  Li3  1  0.336  0.336  0.398  1.0
  Ti  Ti4  1  0.641  0.641  0.480  1.0
  Ti  Ti5  1  0.329  0.329  0.005  1.0
  Mn  Mn6  1  0.827  0.336  0.204  1.0
  Mn  Mn7  1  0.336  0.827  0.204  1.0
  Mn  Mn8  1  0.169  0.169  0.706  1.0
  Nb  Nb9  1  0.823  0.823  0.228  1.0
  Nb  Nb10  1  0.659  0.164  0.719  1.0
  Nb  Nb11  1  0.164  0.659  0.719  1.0
  O  O12  1  0.815  0.338  0.592  1.0
  O  O13  1  0.524  0.524  0.356  1.0
  O  O14  1  0.684  0.684  0.103  1.0
  O  O15  1  0.989  0.989  0.302  1.0
  O  O16  1  0.001  0.001  0.815  1.0
  O  O17  1  0.338  0.815  0.592  1.0
  O  O18  1  0.963  0.531  0.352  1.0
  O  O19  1  0.531  0.963  0.352  1.0
  O  O20  1  0.173  0.173  0.081  1.0
  O  O21  1  0.842  0.842  0.601  1.0
  O  O22  1  0.498  0.045  0.844  1.0
  O  O23  1  0.045  0.498  0.844  1.0
  O  O24  1  0.343  0.343  0.598  1.0
  O  O25  1  0.648  0.159  0.094  1.0
  O  O26  1  0.485  0.485  0.842  1.0
  O  O27  1  0.159  0.648  0.094  1.0
[/CIF]
.