The structure described by Li2TiMn3O8 is Hausmannite-derived structured and crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), and two equivalent O(5) atoms to form LiO4 tetrahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. In the second Li site, Li(2) is bonded to one O(4), one O(6), and two equivalent O(1) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(2)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 Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-67°. Ti(1) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(5) atoms to form TiO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), 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(2)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-54°. In the second Mn site, Mn(2) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra,  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. The corner-sharing octahedral tilt angles are 47°. There are six inequivalent O sites. In the first O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), and two equivalent Mn(1) atoms. In the second O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one Mn(1), and one Mn(2) atom. In the third O site, O(2) is bonded to one Li(1), one Ti(1), and two equivalent Mn(1) atoms to form distorted OLiTiMn2 tetrahedra that share corners with two equivalent O(4)LiMn3 tetrahedra, corners with two equivalent O(5)LiTiMn2 trigonal pyramids, and edges with two equivalent O(5)LiTiMn2 trigonal pyramids. In the fourth O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(2), and two equivalent Mn(1) atoms. In the fifth O site, O(4) is bonded to one Li(2), one Mn(2), and two equivalent Mn(1) atoms to form corner-sharing OLiMn3 tetrahedra. In the sixth O site, O(5) is bonded to one Li(1), one Ti(1), one Mn(1), and one Mn(2) atom to form distorted OLiTiMn2 trigonal pyramids that share  a cornercorner with one O(2)LiTiMn2 tetrahedra, corners with two equivalent O(4)LiMn3 tetrahedra,  a cornercorner with one O(5)LiTiMn2 trigonal pyramid,  an edgeedge with one O(2)LiTiMn2 tetrahedra, and  an edgeedge with one O(5)LiTiMn2 trigonal pyramid. is represented by the CIF file [CIF]
data_Li2TiMn3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.010
_cell_length_b   6.010
_cell_length_c   9.540
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   122.219
_symmetry_Int_Tables_number   1
_cell_volume   291.471
_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  0.156  0.844  0.103  1.0
  Li  Li1  1  0.493  0.507  0.006  1.0
  Li  Li2  1  0.507  0.493  0.506  1.0
  Li  Li3  1  0.844  0.156  0.603  1.0
  Ti  Ti4  1  0.181  0.819  0.507  1.0
  Ti  Ti5  1  0.819  0.181  0.007  1.0
  Mn  Mn6  1  0.838  0.671  0.784  1.0
  Mn  Mn7  1  0.329  0.162  0.784  1.0
  Mn  Mn8  1  0.327  0.673  0.786  1.0
  Mn  Mn9  1  0.673  0.327  0.286  1.0
  Mn  Mn10  1  0.671  0.838  0.284  1.0
  Mn  Mn11  1  0.162  0.329  0.284  1.0
  O  O12  1  0.849  0.642  0.412  1.0
  O  O13  1  0.029  0.971  0.658  1.0
  O  O14  1  0.168  0.832  0.887  1.0
  O  O15  1  0.493  0.507  0.696  1.0
  O  O16  1  0.507  0.493  0.196  1.0
  O  O17  1  0.358  0.151  0.412  1.0
  O  O18  1  0.044  0.529  0.656  1.0
  O  O19  1  0.471  0.956  0.656  1.0
  O  O20  1  0.655  0.345  0.901  1.0
  O  O21  1  0.345  0.655  0.401  1.0
  O  O22  1  0.529  0.044  0.156  1.0
  O  O23  1  0.956  0.471  0.156  1.0
  O  O24  1  0.832  0.168  0.387  1.0
  O  O25  1  0.642  0.849  0.912  1.0
  O  O26  1  0.971  0.029  0.158  1.0
  O  O27  1  0.151  0.358  0.912  1.0
[/CIF]
.
The structure described by Li2TiMn3O8 is Hausmannite-derived structured and crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), and two equivalent O(5) atoms to form LiO4 tetrahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. In the second Li site, Li(2) is bonded to one O(4), one O(6), and two equivalent O(1) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(2)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 Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-67°. Ti(1) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(5) atoms to form TiO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), 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(2)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-54°. In the second Mn site, Mn(2) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra,  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. The corner-sharing octahedral tilt angles are 47°. There are six inequivalent O sites. In the first O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), and two equivalent Mn(1) atoms. In the second O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one Mn(1), and one Mn(2) atom. In the third O site, O(2) is bonded to one Li(1), one Ti(1), and two equivalent Mn(1) atoms to form distorted OLiTiMn2 tetrahedra that share corners with two equivalent O(4)LiMn3 tetrahedra, corners with two equivalent O(5)LiTiMn2 trigonal pyramids, and edges with two equivalent O(5)LiTiMn2 trigonal pyramids. In the fourth O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(2), and two equivalent Mn(1) atoms. In the fifth O site, O(4) is bonded to one Li(2), one Mn(2), and two equivalent Mn(1) atoms to form corner-sharing OLiMn3 tetrahedra. In the sixth O site, O(5) is bonded to one Li(1), one Ti(1), one Mn(1), and one Mn(2) atom to form distorted OLiTiMn2 trigonal pyramids that share  a cornercorner with one O(2)LiTiMn2 tetrahedra, corners with two equivalent O(4)LiMn3 tetrahedra,  a cornercorner with one O(5)LiTiMn2 trigonal pyramid,  an edgeedge with one O(2)LiTiMn2 tetrahedra, and  an edgeedge with one O(5)LiTiMn2 trigonal pyramid. is represented by the CIF file [CIF]
data_Li2TiMn3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.010
_cell_length_b   6.010
_cell_length_c   9.540
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   122.219
_symmetry_Int_Tables_number   1
_cell_volume   291.471
_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  0.156  0.844  0.103  1.0
  Li  Li1  1  0.493  0.507  0.006  1.0
  Li  Li2  1  0.507  0.493  0.506  1.0
  Li  Li3  1  0.844  0.156  0.603  1.0
  Ti  Ti4  1  0.181  0.819  0.507  1.0
  Ti  Ti5  1  0.819  0.181  0.007  1.0
  Mn  Mn6  1  0.838  0.671  0.784  1.0
  Mn  Mn7  1  0.329  0.162  0.784  1.0
  Mn  Mn8  1  0.327  0.673  0.786  1.0
  Mn  Mn9  1  0.673  0.327  0.286  1.0
  Mn  Mn10  1  0.671  0.838  0.284  1.0
  Mn  Mn11  1  0.162  0.329  0.284  1.0
  O  O12  1  0.849  0.642  0.412  1.0
  O  O13  1  0.029  0.971  0.658  1.0
  O  O14  1  0.168  0.832  0.887  1.0
  O  O15  1  0.493  0.507  0.696  1.0
  O  O16  1  0.507  0.493  0.196  1.0
  O  O17  1  0.358  0.151  0.412  1.0
  O  O18  1  0.044  0.529  0.656  1.0
  O  O19  1  0.471  0.956  0.656  1.0
  O  O20  1  0.655  0.345  0.901  1.0
  O  O21  1  0.345  0.655  0.401  1.0
  O  O22  1  0.529  0.044  0.156  1.0
  O  O23  1  0.956  0.471  0.156  1.0
  O  O24  1  0.832  0.168  0.387  1.0
  O  O25  1  0.642  0.849  0.912  1.0
  O  O26  1  0.971  0.029  0.158  1.0
  O  O27  1  0.151  0.358  0.912  1.0
[/CIF]
.