The material described by Li2NbMn3O8 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), and two equivalent O(4) atoms to form LiO4 tetrahedra that share corners with three equivalent Nb(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 52-63°. In the second Li site, Li(2) is bonded to one O(2), one O(6), and two equivalent O(5) atoms to form LiO4 tetrahedra that share corners with three equivalent Nb(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 56-61°. Nb(1) is bonded to one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms to form NbO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. 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 MnO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), two equivalent O(4), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, edges with two equivalent Nb(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Mn(2), and two equivalent Mn(1) atoms to form OLiMn3 tetrahedra that share corners with three equivalent O(2)LiMn3 tetrahedra, corners with two equivalent O(4)LiMn2Nb trigonal pyramids, corners with four equivalent O(5)LiMn2Nb trigonal pyramids, and edges with two equivalent O(4)LiMn2Nb trigonal pyramids. In the second O site, O(2) is bonded to one Li(2), one Mn(2), and two equivalent Mn(1) atoms to form distorted OLiMn3 tetrahedra that share corners with three equivalent O(1)LiMn3 tetrahedra, corners with two equivalent O(5)LiMn2Nb trigonal pyramids, corners with four equivalent O(4)LiMn2Nb trigonal pyramids, and edges with two equivalent O(5)LiMn2Nb trigonal pyramids. 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(1), one Nb(1), one Mn(1), and one Mn(2) atom to form distorted OLiMn2Nb trigonal pyramids that share  a cornercorner with one O(1)LiMn3 tetrahedra, corners with two equivalent O(2)LiMn3 tetrahedra,  a cornercorner with one O(4)LiMn2Nb trigonal pyramid, corners with five equivalent O(5)LiMn2Nb trigonal pyramids,  an edgeedge with one O(1)LiMn3 tetrahedra, and  an edgeedge with one O(4)LiMn2Nb trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(2), one Nb(1), one Mn(1), and one Mn(2) atom to form distorted OLiMn2Nb trigonal pyramids that share  a cornercorner with one O(2)LiMn3 tetrahedra, corners with two equivalent O(1)LiMn3 tetrahedra,  a cornercorner with one O(5)LiMn2Nb trigonal pyramid, corners with five equivalent O(4)LiMn2Nb trigonal pyramids,  an edgeedge with one O(2)LiMn3 tetrahedra, and  an edgeedge with one O(5)LiMn2Nb trigonal pyramid. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(1), and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_Li2Mn3NbO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.980
_cell_length_b   5.981
_cell_length_c   6.121
_cell_angle_alpha   118.006
_cell_angle_beta   93.267
_cell_angle_gamma   117.447
_symmetry_Int_Tables_number   1
_cell_volume   160.753
_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  0.877  0.737  0.614  1.0
  Li  Li1  1  0.122  0.262  0.384  1.0
  Mn  Mn2  1  0.002  0.500  0.001  1.0
  Mn  Mn3  1  0.501  0.999  0.001  1.0
  Mn  Mn4  1  0.500  0.504  0.005  1.0
  Nb  Nb5  1  0.499  0.006  0.505  1.0
  O  O6  1  0.732  0.457  0.190  1.0
  O  O7  1  0.269  0.541  0.810  1.0
  O  O8  1  0.735  0.992  0.727  1.0
  O  O9  1  0.744  0.467  0.754  1.0
  O  O10  1  0.287  0.011  0.754  1.0
  O  O11  1  0.712  0.987  0.244  1.0
  O  O12  1  0.257  0.533  0.244  1.0
  O  O13  1  0.263  0.003  0.267  1.0
[/CIF]
.
The material described by Li2NbMn3O8 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), and two equivalent O(4) atoms to form LiO4 tetrahedra that share corners with three equivalent Nb(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 52-63°. In the second Li site, Li(2) is bonded to one O(2), one O(6), and two equivalent O(5) atoms to form LiO4 tetrahedra that share corners with three equivalent Nb(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 56-61°. Nb(1) is bonded to one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms to form NbO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. 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 MnO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), two equivalent O(4), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, edges with two equivalent Nb(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Mn(2), and two equivalent Mn(1) atoms to form OLiMn3 tetrahedra that share corners with three equivalent O(2)LiMn3 tetrahedra, corners with two equivalent O(4)LiMn2Nb trigonal pyramids, corners with four equivalent O(5)LiMn2Nb trigonal pyramids, and edges with two equivalent O(4)LiMn2Nb trigonal pyramids. In the second O site, O(2) is bonded to one Li(2), one Mn(2), and two equivalent Mn(1) atoms to form distorted OLiMn3 tetrahedra that share corners with three equivalent O(1)LiMn3 tetrahedra, corners with two equivalent O(5)LiMn2Nb trigonal pyramids, corners with four equivalent O(4)LiMn2Nb trigonal pyramids, and edges with two equivalent O(5)LiMn2Nb trigonal pyramids. 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(1), one Nb(1), one Mn(1), and one Mn(2) atom to form distorted OLiMn2Nb trigonal pyramids that share  a cornercorner with one O(1)LiMn3 tetrahedra, corners with two equivalent O(2)LiMn3 tetrahedra,  a cornercorner with one O(4)LiMn2Nb trigonal pyramid, corners with five equivalent O(5)LiMn2Nb trigonal pyramids,  an edgeedge with one O(1)LiMn3 tetrahedra, and  an edgeedge with one O(4)LiMn2Nb trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(2), one Nb(1), one Mn(1), and one Mn(2) atom to form distorted OLiMn2Nb trigonal pyramids that share  a cornercorner with one O(2)LiMn3 tetrahedra, corners with two equivalent O(1)LiMn3 tetrahedra,  a cornercorner with one O(5)LiMn2Nb trigonal pyramid, corners with five equivalent O(4)LiMn2Nb trigonal pyramids,  an edgeedge with one O(2)LiMn3 tetrahedra, and  an edgeedge with one O(5)LiMn2Nb trigonal pyramid. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(1), and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_Li2Mn3NbO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.980
_cell_length_b   5.981
_cell_length_c   6.121
_cell_angle_alpha   118.006
_cell_angle_beta   93.267
_cell_angle_gamma   117.447
_symmetry_Int_Tables_number   1
_cell_volume   160.753
_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  0.877  0.737  0.614  1.0
  Li  Li1  1  0.122  0.262  0.384  1.0
  Mn  Mn2  1  0.002  0.500  0.001  1.0
  Mn  Mn3  1  0.501  0.999  0.001  1.0
  Mn  Mn4  1  0.500  0.504  0.005  1.0
  Nb  Nb5  1  0.499  0.006  0.505  1.0
  O  O6  1  0.732  0.457  0.190  1.0
  O  O7  1  0.269  0.541  0.810  1.0
  O  O8  1  0.735  0.992  0.727  1.0
  O  O9  1  0.744  0.467  0.754  1.0
  O  O10  1  0.287  0.011  0.754  1.0
  O  O11  1  0.712  0.987  0.244  1.0
  O  O12  1  0.257  0.533  0.244  1.0
  O  O13  1  0.263  0.003  0.267  1.0
[/CIF]
.