The compound described by Li4Ti3Nb2Mn3O16 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 Mn(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Nb(2)O6 octahedra, and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-67°. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(5), one O(7), and two equivalent O(11) atoms. In the third Li site, Li(3) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Nb(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-65°. 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 Ti(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Nb(1)O6 octahedra, and corners with four equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-66°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form distorted TiO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Nb(2)O6 octahedra, edges with four equivalent Mn(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. In the second Ti site, Ti(2) 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 TiO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form distorted NbO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the second Nb site, Nb(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form distorted NbO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Ti(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Nb(1)O6 octahedra, and edges with four equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the second Mn site, Mn(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 MnO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Nb(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-53°. 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(1), and one Mn(2) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), two equivalent Ti(2), and one Nb(1) atom. In the third O site, O(3) is bonded to one Li(1), two equivalent Ti(2), and one Mn(1) atom to form distorted OLiTi2Mn trigonal pyramids that share  a cornercorner with one O(12)LiMn2Nb tetrahedra, corners with three equivalent O(4)LiTi2Mn tetrahedra, and edges with two equivalent O(6)LiTiMnNb tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Ti(2), and one Mn(1) atom to form OLiTi2Mn tetrahedra that share corners with four equivalent O(6)LiTiMnNb tetrahedra and corners with three equivalent O(3)LiTi2Mn trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), one Ti(1), and two equivalent Mn(2) atoms to form corner-sharing OLiTiMn2 tetrahedra. In the sixth O site, O(6) is bonded to one Li(4), one Ti(2), one Nb(1), and one Mn(1) atom to form distorted OLiTiMnNb tetrahedra that share  a cornercorner with one O(6)LiTiMnNb tetrahedra, corners with two equivalent O(4)LiTi2Mn tetrahedra,  an edgeedge with one O(6)LiTiMnNb tetrahedra, and  an edgeedge with one O(3)LiTi2Mn trigonal pyramid. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Ti(2), and one Nb(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Nb(1), and two equivalent Mn(2) atoms. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ti(1), one Nb(2), and one Mn(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(1), and two equivalent Mn(2) atoms. 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(2), and one Mn(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), one Nb(2), and two equivalent Mn(2) atoms to form distorted OLiMn2Nb tetrahedra that share corners with two equivalent O(5)LiTiMn2 tetrahedra and  a cornercorner with one O(3)LiTi2Mn trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Ti3Mn3Nb2O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.141
_cell_length_b   6.141
_cell_length_c   9.927
_cell_angle_alpha   89.054
_cell_angle_beta   89.054
_cell_angle_gamma   59.055
_symmetry_Int_Tables_number   1
_cell_volume   320.989
_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  0.661  0.661  0.094  1.0
  Li  Li1  1  0.003  0.003  0.014  1.0
  Li  Li2  1  0.007  0.007  0.507  1.0
  Li  Li3  1  0.327  0.327  0.592  1.0
  Ti  Ti4  1  0.178  0.178  0.264  1.0
  Ti  Ti5  1  0.345  0.843  0.780  1.0
  Ti  Ti6  1  0.843  0.345  0.780  1.0
  Mn  Mn7  1  0.833  0.833  0.790  1.0
  Mn  Mn8  1  0.168  0.662  0.294  1.0
  Mn  Mn9  1  0.662  0.168  0.294  1.0
  Nb  Nb10  1  0.666  0.666  0.503  1.0
  Nb  Nb11  1  0.350  0.350  0.011  1.0
  O  O12  1  0.347  0.836  0.412  1.0
  O  O13  1  0.520  0.520  0.667  1.0
  O  O14  1  0.650  0.650  0.891  1.0
  O  O15  1  0.010  0.010  0.695  1.0
  O  O16  1  0.012  0.012  0.201  1.0
  O  O17  1  0.836  0.347  0.412  1.0
  O  O18  1  0.498  0.960  0.662  1.0
  O  O19  1  0.960  0.498  0.662  1.0
  O  O20  1  0.163  0.163  0.894  1.0
  O  O21  1  0.832  0.832  0.428  1.0
  O  O22  1  0.032  0.464  0.148  1.0
  O  O23  1  0.464  0.032  0.148  1.0
  O  O24  1  0.312  0.312  0.391  1.0
  O  O25  1  0.176  0.666  0.908  1.0
  O  O26  1  0.477  0.477  0.142  1.0
  O  O27  1  0.666  0.176  0.908  1.0
[/CIF]
.
The compound described by Li4Ti3Nb2Mn3O16 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 Mn(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Nb(2)O6 octahedra, and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-67°. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(5), one O(7), and two equivalent O(11) atoms. In the third Li site, Li(3) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Nb(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-65°. 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 Ti(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Nb(1)O6 octahedra, and corners with four equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-66°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form distorted TiO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Nb(2)O6 octahedra, edges with four equivalent Mn(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. In the second Ti site, Ti(2) 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 TiO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form distorted NbO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the second Nb site, Nb(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form distorted NbO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Ti(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Nb(1)O6 octahedra, and edges with four equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the second Mn site, Mn(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 MnO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Nb(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-53°. 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(1), and one Mn(2) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), two equivalent Ti(2), and one Nb(1) atom. In the third O site, O(3) is bonded to one Li(1), two equivalent Ti(2), and one Mn(1) atom to form distorted OLiTi2Mn trigonal pyramids that share  a cornercorner with one O(12)LiMn2Nb tetrahedra, corners with three equivalent O(4)LiTi2Mn tetrahedra, and edges with two equivalent O(6)LiTiMnNb tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Ti(2), and one Mn(1) atom to form OLiTi2Mn tetrahedra that share corners with four equivalent O(6)LiTiMnNb tetrahedra and corners with three equivalent O(3)LiTi2Mn trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), one Ti(1), and two equivalent Mn(2) atoms to form corner-sharing OLiTiMn2 tetrahedra. In the sixth O site, O(6) is bonded to one Li(4), one Ti(2), one Nb(1), and one Mn(1) atom to form distorted OLiTiMnNb tetrahedra that share  a cornercorner with one O(6)LiTiMnNb tetrahedra, corners with two equivalent O(4)LiTi2Mn tetrahedra,  an edgeedge with one O(6)LiTiMnNb tetrahedra, and  an edgeedge with one O(3)LiTi2Mn trigonal pyramid. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Ti(2), and one Nb(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Nb(1), and two equivalent Mn(2) atoms. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ti(1), one Nb(2), and one Mn(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(1), and two equivalent Mn(2) atoms. 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(2), and one Mn(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), one Nb(2), and two equivalent Mn(2) atoms to form distorted OLiMn2Nb tetrahedra that share corners with two equivalent O(5)LiTiMn2 tetrahedra and  a cornercorner with one O(3)LiTi2Mn trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Ti3Mn3Nb2O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.141
_cell_length_b   6.141
_cell_length_c   9.927
_cell_angle_alpha   89.054
_cell_angle_beta   89.054
_cell_angle_gamma   59.055
_symmetry_Int_Tables_number   1
_cell_volume   320.989
_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  0.661  0.661  0.094  1.0
  Li  Li1  1  0.003  0.003  0.014  1.0
  Li  Li2  1  0.007  0.007  0.507  1.0
  Li  Li3  1  0.327  0.327  0.592  1.0
  Ti  Ti4  1  0.178  0.178  0.264  1.0
  Ti  Ti5  1  0.345  0.843  0.780  1.0
  Ti  Ti6  1  0.843  0.345  0.780  1.0
  Mn  Mn7  1  0.833  0.833  0.790  1.0
  Mn  Mn8  1  0.168  0.662  0.294  1.0
  Mn  Mn9  1  0.662  0.168  0.294  1.0
  Nb  Nb10  1  0.666  0.666  0.503  1.0
  Nb  Nb11  1  0.350  0.350  0.011  1.0
  O  O12  1  0.347  0.836  0.412  1.0
  O  O13  1  0.520  0.520  0.667  1.0
  O  O14  1  0.650  0.650  0.891  1.0
  O  O15  1  0.010  0.010  0.695  1.0
  O  O16  1  0.012  0.012  0.201  1.0
  O  O17  1  0.836  0.347  0.412  1.0
  O  O18  1  0.498  0.960  0.662  1.0
  O  O19  1  0.960  0.498  0.662  1.0
  O  O20  1  0.163  0.163  0.894  1.0
  O  O21  1  0.832  0.832  0.428  1.0
  O  O22  1  0.032  0.464  0.148  1.0
  O  O23  1  0.464  0.032  0.148  1.0
  O  O24  1  0.312  0.312  0.391  1.0
  O  O25  1  0.176  0.666  0.908  1.0
  O  O26  1  0.477  0.477  0.142  1.0
  O  O27  1  0.666  0.176  0.908  1.0
[/CIF]
.