The crystal structure described by Li4Nb5Mn3O16 is Spinel-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(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Nb(3)O6 octahedra, and corners with four equivalent Nb(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-66°. 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 Mn(2)O6 octahedra, corners with two equivalent Nb(4)O6 octahedra, corners with three equivalent Nb(3)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-65°. 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(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with three equivalent Nb(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with two equivalent Nb(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-64°. 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(2)O6 octahedra, corners with two equivalent Nb(4)O6 octahedra, corners with three equivalent Nb(1)O6 octahedra, and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-67°. There are four 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 NbO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Nb(4)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one Nb(2)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the second Nb site, Nb(2) 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 corners with two equivalent Nb(3)O6 octahedra,  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 Nb(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 48°. In the third Nb site, Nb(3) 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 Nb(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 Nb(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. In the fourth Nb site, Nb(4) 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 Nb(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 Nb(3)O6 octahedra, edges with two equivalent Nb(4)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 49-53°. 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 MnO6 octahedra that share corners with two equivalent Nb(3)O6 octahedra,  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 Nb(1)O6 octahedra, edges with two equivalent Nb(2)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 52-53°. 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 Nb(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 Nb(3)O6 octahedra, edges with four equivalent Nb(4)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 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 Nb(1), one Nb(4), and one Mn(2) atom. In the second O site, O(2) is bonded to one Li(4), one Nb(1), and two equivalent Mn(1) atoms to form distorted corner-sharing OLiMn2Nb tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Nb(2), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one Nb(2), 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(4), and one Mn(2) atom to form corner-sharing OLiMnNb2 tetrahedra. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Nb(1), one Nb(2), and one Mn(1) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(3), and two equivalent Mn(1) atoms. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), one Nb(1), and two equivalent Nb(4) atoms. In the ninth O site, O(9) is bonded to one Li(1), one Nb(3), one Nb(4), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OLiMnNb2 tetrahedra. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), two equivalent Nb(4), 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 Nb(2), one Nb(3), and one Mn(1) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Nb(3), and two equivalent Nb(4) atoms. is represented by the CIF file [CIF]
data_Li4Mn3Nb5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.222
_cell_length_b   6.222
_cell_length_c   10.069
_cell_angle_alpha   89.212
_cell_angle_beta   89.212
_cell_angle_gamma   58.644
_symmetry_Int_Tables_number   1
_cell_volume   332.871
_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  0.672  0.672  0.909  1.0
  Li  Li1  1  0.998  0.998  0.988  1.0
  Li  Li2  1  0.002  0.002  0.489  1.0
  Li  Li3  1  0.342  0.342  0.400  1.0
  Mn  Mn4  1  0.829  0.339  0.207  1.0
  Mn  Mn5  1  0.339  0.829  0.207  1.0
  Mn  Mn6  1  0.163  0.163  0.712  1.0
  Nb  Nb7  1  0.660  0.660  0.490  1.0
  Nb  Nb8  1  0.827  0.827  0.227  1.0
  Nb  Nb9  1  0.331  0.331  0.998  1.0
  Nb  Nb10  1  0.635  0.183  0.716  1.0
  Nb  Nb11  1  0.183  0.635  0.716  1.0
  O  O12  1  0.809  0.340  0.593  1.0
  O  O13  1  0.531  0.531  0.355  1.0
  O  O14  1  0.685  0.685  0.105  1.0
  O  O15  1  0.993  0.993  0.304  1.0
  O  O16  1  0.994  0.994  0.805  1.0
  O  O17  1  0.340  0.809  0.593  1.0
  O  O18  1  0.972  0.531  0.349  1.0
  O  O19  1  0.531  0.972  0.349  1.0
  O  O20  1  0.169  0.169  0.078  1.0
  O  O21  1  0.833  0.833  0.595  1.0
  O  O22  1  0.494  0.046  0.845  1.0
  O  O23  1  0.046  0.494  0.845  1.0
  O  O24  1  0.326  0.326  0.590  1.0
  O  O25  1  0.656  0.156  0.095  1.0
  O  O26  1  0.486  0.486  0.857  1.0
  O  O27  1  0.156  0.656  0.095  1.0
[/CIF]
.
The crystal structure described by Li4Nb5Mn3O16 is Spinel-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(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Nb(3)O6 octahedra, and corners with four equivalent Nb(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-66°. 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 Mn(2)O6 octahedra, corners with two equivalent Nb(4)O6 octahedra, corners with three equivalent Nb(3)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-65°. 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(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with three equivalent Nb(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with two equivalent Nb(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-64°. 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(2)O6 octahedra, corners with two equivalent Nb(4)O6 octahedra, corners with three equivalent Nb(1)O6 octahedra, and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-67°. There are four 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 NbO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Nb(4)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one Nb(2)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the second Nb site, Nb(2) 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 corners with two equivalent Nb(3)O6 octahedra,  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 Nb(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 48°. In the third Nb site, Nb(3) 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 Nb(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 Nb(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. In the fourth Nb site, Nb(4) 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 Nb(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 Nb(3)O6 octahedra, edges with two equivalent Nb(4)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 49-53°. 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 MnO6 octahedra that share corners with two equivalent Nb(3)O6 octahedra,  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 Nb(1)O6 octahedra, edges with two equivalent Nb(2)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 52-53°. 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 Nb(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 Nb(3)O6 octahedra, edges with four equivalent Nb(4)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 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 Nb(1), one Nb(4), and one Mn(2) atom. In the second O site, O(2) is bonded to one Li(4), one Nb(1), and two equivalent Mn(1) atoms to form distorted corner-sharing OLiMn2Nb tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Nb(2), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one Nb(2), 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(4), and one Mn(2) atom to form corner-sharing OLiMnNb2 tetrahedra. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Nb(1), one Nb(2), and one Mn(1) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(3), and two equivalent Mn(1) atoms. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), one Nb(1), and two equivalent Nb(4) atoms. In the ninth O site, O(9) is bonded to one Li(1), one Nb(3), one Nb(4), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OLiMnNb2 tetrahedra. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), two equivalent Nb(4), 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 Nb(2), one Nb(3), and one Mn(1) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Nb(3), and two equivalent Nb(4) atoms. is represented by the CIF file [CIF]
data_Li4Mn3Nb5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.222
_cell_length_b   6.222
_cell_length_c   10.069
_cell_angle_alpha   89.212
_cell_angle_beta   89.212
_cell_angle_gamma   58.644
_symmetry_Int_Tables_number   1
_cell_volume   332.871
_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  0.672  0.672  0.909  1.0
  Li  Li1  1  0.998  0.998  0.988  1.0
  Li  Li2  1  0.002  0.002  0.489  1.0
  Li  Li3  1  0.342  0.342  0.400  1.0
  Mn  Mn4  1  0.829  0.339  0.207  1.0
  Mn  Mn5  1  0.339  0.829  0.207  1.0
  Mn  Mn6  1  0.163  0.163  0.712  1.0
  Nb  Nb7  1  0.660  0.660  0.490  1.0
  Nb  Nb8  1  0.827  0.827  0.227  1.0
  Nb  Nb9  1  0.331  0.331  0.998  1.0
  Nb  Nb10  1  0.635  0.183  0.716  1.0
  Nb  Nb11  1  0.183  0.635  0.716  1.0
  O  O12  1  0.809  0.340  0.593  1.0
  O  O13  1  0.531  0.531  0.355  1.0
  O  O14  1  0.685  0.685  0.105  1.0
  O  O15  1  0.993  0.993  0.304  1.0
  O  O16  1  0.994  0.994  0.805  1.0
  O  O17  1  0.340  0.809  0.593  1.0
  O  O18  1  0.972  0.531  0.349  1.0
  O  O19  1  0.531  0.972  0.349  1.0
  O  O20  1  0.169  0.169  0.078  1.0
  O  O21  1  0.833  0.833  0.595  1.0
  O  O22  1  0.494  0.046  0.845  1.0
  O  O23  1  0.046  0.494  0.845  1.0
  O  O24  1  0.326  0.326  0.590  1.0
  O  O25  1  0.656  0.156  0.095  1.0
  O  O26  1  0.486  0.486  0.857  1.0
  O  O27  1  0.156  0.656  0.095  1.0
[/CIF]
.