The crystal structure described by Li4Ti2V3Mn3O16 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 V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-67°. In the second Li site, Li(2) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-67°. 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 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-69°. 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 V(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, and corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-68°. 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 V(2)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 V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. In the second Ti site, Ti(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form distorted TiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent V(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-57°. There are two inequivalent V sites. In the first V site, V(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 VO6 octahedra that share corners with two equivalent Ti(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 Ti(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the second V site, V(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form VO6 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,  an edgeedge with one Ti(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 45°. 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 Ti(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 Ti(1)O6 octahedra, edges with four equivalent V(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. 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 distorted 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,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent V(2)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 54-55°. 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 V(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 V(1) atoms to form distorted OLiTiV2 tetrahedra that share corners with two equivalent O(4)LiMnV2 tetrahedra, corners with two equivalent O(6)LiTiMnV tetrahedra, and edges with two equivalent O(6)LiTiMnV tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent V(1), and one Mn(1) atom. In the fourth O site, O(4) is bonded to one Li(3), two equivalent V(1), and one Mn(1) atom to form OLiMnV2 tetrahedra that share corners with two equivalent O(2)LiTiV2 tetrahedra and corners with four equivalent O(6)LiTiMnV tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one V(2), and two equivalent Mn(2) atoms to form corner-sharing OLiMn2V tetrahedra. In the sixth O site, O(6) is bonded to one Li(4), one Ti(1), one V(1), and one Mn(1) atom to form distorted OLiTiMnV tetrahedra that share  a cornercorner with one O(6)LiTiMnV tetrahedra,  a cornercorner with one O(2)LiTiV2 tetrahedra, corners with two equivalent O(4)LiMnV2 tetrahedra,  an edgeedge with one O(6)LiTiMnV tetrahedra, and  an edgeedge with one O(2)LiTiV2 tetrahedra. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(2), and two equivalent V(1) atoms. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(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(2), one V(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 V(2), 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 V(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 Mn(2) atoms to form corner-sharing OLiTiMn2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Ti2Mn3V3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.024
_cell_length_b   6.024
_cell_length_c   9.625
_cell_angle_alpha   87.348
_cell_angle_beta   87.348
_cell_angle_gamma   58.372
_symmetry_Int_Tables_number   1
_cell_volume   296.953
_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  0.346  0.346  0.899  1.0
  Li  Li1  1  0.999  0.999  0.992  1.0
  Li  Li2  1  0.998  0.998  0.492  1.0
  Li  Li3  1  0.665  0.665  0.400  1.0
  Ti  Ti4  1  0.341  0.341  0.498  1.0
  Ti  Ti5  1  0.665  0.665  0.997  1.0
  Mn  Mn6  1  0.167  0.167  0.206  1.0
  Mn  Mn7  1  0.344  0.840  0.712  1.0
  Mn  Mn8  1  0.840  0.344  0.712  1.0
  V  V9  1  0.156  0.652  0.220  1.0
  V  V10  1  0.652  0.156  0.220  1.0
  V  V11  1  0.830  0.830  0.727  1.0
  O  O12  1  0.158  0.657  0.593  1.0
  O  O13  1  0.478  0.478  0.340  1.0
  O  O14  1  0.351  0.351  0.103  1.0
  O  O15  1  0.989  0.989  0.305  1.0
  O  O16  1  0.002  0.002  0.802  1.0
  O  O17  1  0.657  0.158  0.593  1.0
  O  O18  1  0.036  0.501  0.344  1.0
  O  O19  1  0.501  0.036  0.344  1.0
  O  O20  1  0.831  0.831  0.103  1.0
  O  O21  1  0.164  0.164  0.590  1.0
  O  O22  1  0.537  0.971  0.850  1.0
  O  O23  1  0.971  0.537  0.850  1.0
  O  O24  1  0.676  0.676  0.609  1.0
  O  O25  1  0.334  0.817  0.088  1.0
  O  O26  1  0.530  0.530  0.837  1.0
  O  O27  1  0.817  0.334  0.088  1.0
[/CIF]
.
The crystal structure described by Li4Ti2V3Mn3O16 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 V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-67°. In the second Li site, Li(2) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-67°. 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 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-69°. 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 V(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, and corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-68°. 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 V(2)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 V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. In the second Ti site, Ti(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form distorted TiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent V(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-57°. There are two inequivalent V sites. In the first V site, V(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 VO6 octahedra that share corners with two equivalent Ti(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 Ti(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the second V site, V(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form VO6 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,  an edgeedge with one Ti(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 45°. 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 Ti(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 Ti(1)O6 octahedra, edges with four equivalent V(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. 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 distorted 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,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent V(2)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 54-55°. 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 V(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 V(1) atoms to form distorted OLiTiV2 tetrahedra that share corners with two equivalent O(4)LiMnV2 tetrahedra, corners with two equivalent O(6)LiTiMnV tetrahedra, and edges with two equivalent O(6)LiTiMnV tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent V(1), and one Mn(1) atom. In the fourth O site, O(4) is bonded to one Li(3), two equivalent V(1), and one Mn(1) atom to form OLiMnV2 tetrahedra that share corners with two equivalent O(2)LiTiV2 tetrahedra and corners with four equivalent O(6)LiTiMnV tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one V(2), and two equivalent Mn(2) atoms to form corner-sharing OLiMn2V tetrahedra. In the sixth O site, O(6) is bonded to one Li(4), one Ti(1), one V(1), and one Mn(1) atom to form distorted OLiTiMnV tetrahedra that share  a cornercorner with one O(6)LiTiMnV tetrahedra,  a cornercorner with one O(2)LiTiV2 tetrahedra, corners with two equivalent O(4)LiMnV2 tetrahedra,  an edgeedge with one O(6)LiTiMnV tetrahedra, and  an edgeedge with one O(2)LiTiV2 tetrahedra. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(2), and two equivalent V(1) atoms. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(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(2), one V(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 V(2), 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 V(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 Mn(2) atoms to form corner-sharing OLiTiMn2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Ti2Mn3V3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.024
_cell_length_b   6.024
_cell_length_c   9.625
_cell_angle_alpha   87.348
_cell_angle_beta   87.348
_cell_angle_gamma   58.372
_symmetry_Int_Tables_number   1
_cell_volume   296.953
_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  0.346  0.346  0.899  1.0
  Li  Li1  1  0.999  0.999  0.992  1.0
  Li  Li2  1  0.998  0.998  0.492  1.0
  Li  Li3  1  0.665  0.665  0.400  1.0
  Ti  Ti4  1  0.341  0.341  0.498  1.0
  Ti  Ti5  1  0.665  0.665  0.997  1.0
  Mn  Mn6  1  0.167  0.167  0.206  1.0
  Mn  Mn7  1  0.344  0.840  0.712  1.0
  Mn  Mn8  1  0.840  0.344  0.712  1.0
  V  V9  1  0.156  0.652  0.220  1.0
  V  V10  1  0.652  0.156  0.220  1.0
  V  V11  1  0.830  0.830  0.727  1.0
  O  O12  1  0.158  0.657  0.593  1.0
  O  O13  1  0.478  0.478  0.340  1.0
  O  O14  1  0.351  0.351  0.103  1.0
  O  O15  1  0.989  0.989  0.305  1.0
  O  O16  1  0.002  0.002  0.802  1.0
  O  O17  1  0.657  0.158  0.593  1.0
  O  O18  1  0.036  0.501  0.344  1.0
  O  O19  1  0.501  0.036  0.344  1.0
  O  O20  1  0.831  0.831  0.103  1.0
  O  O21  1  0.164  0.164  0.590  1.0
  O  O22  1  0.537  0.971  0.850  1.0
  O  O23  1  0.971  0.537  0.850  1.0
  O  O24  1  0.676  0.676  0.609  1.0
  O  O25  1  0.334  0.817  0.088  1.0
  O  O26  1  0.530  0.530  0.837  1.0
  O  O27  1  0.817  0.334  0.088  1.0
[/CIF]
.