The crystal structure described by Li2V3MnO8 is Spinel-derived structured and crystallizes in the trigonal R3 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1) and three equivalent O(6) atoms to form LiO4 tetrahedra that share corners with three equivalent Li(4)O6 octahedra, corners with three equivalent V(1)O6 octahedra, and corners with six equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-65°. In the second Li site, Li(2) is bonded to one O(2) and three equivalent O(5) atoms to form LiO4 tetrahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent V(2)O6 octahedra, and corners with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-65°. In the third Li site, Li(3) is bonded to three equivalent O(5) and three equivalent O(7) atoms to form LiO6 octahedra that share corners with three equivalent Li(2)O4 tetrahedra, corners with three equivalent Mn(1)O4 tetrahedra, edges with three equivalent V(1)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. In the fourth Li site, Li(4) is bonded to three equivalent O(6) and three equivalent O(8) atoms to form LiO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Mn(2)O4 tetrahedra, edges with three equivalent V(1)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(4), two equivalent O(5), and two equivalent O(8) atoms to form VO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Mn(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Mn(2)O4 tetrahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. In the second V site, V(2) is bonded to one O(2), one O(3), two equivalent O(6), and two equivalent O(7) atoms to form VO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Mn(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(4) and three equivalent O(7) atoms to form MnO4 tetrahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent V(1)O6 octahedra, and corners with six equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-64°. In the second Mn site, Mn(2) is bonded to one O(3) and three equivalent O(8) atoms to form MnO4 tetrahedra that share corners with three equivalent Li(4)O6 octahedra, corners with three equivalent V(2)O6 octahedra, and corners with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-64°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1) and three equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(2) and three equivalent V(2) atoms. In the third O site, O(3) is bonded to three equivalent V(2) and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OMnV3 trigonal pyramids. In the fourth O site, O(4) is bonded to three equivalent V(1) and one Mn(1) atom to form a mixture of distorted corner and edge-sharing OMnV3 trigonal pyramids. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(3), and two equivalent V(1) atoms. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(4), and two equivalent V(2) atoms. In the seventh O site, O(7) is bonded to one Li(3), two equivalent V(2), and one Mn(1) atom to form distorted OLiMnV2 tetrahedra that share corners with two equivalent O(7)LiMnV2 tetrahedra,  a cornercorner with one O(4)MnV3 trigonal pyramid, edges with two equivalent O(7)LiMnV2 tetrahedra, and  an edgeedge with one O(3)MnV3 trigonal pyramid. In the eighth O site, O(8) is bonded to one Li(4), two equivalent V(1), and one Mn(2) atom to form distorted OLiMnV2 tetrahedra that share corners with two equivalent O(8)LiMnV2 tetrahedra,  a cornercorner with one O(3)MnV3 trigonal pyramid, edges with two equivalent O(8)LiMnV2 tetrahedra, and  an edgeedge with one O(4)MnV3 trigonal pyramid. is represented by the CIF card [CIF]
data_Li2MnV3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.968
_cell_length_b   5.968
_cell_length_c   10.478
_cell_angle_alpha   90.000
_cell_angle_beta   106.543
_cell_angle_gamma   60.002
_symmetry_Int_Tables_number   1
_cell_volume   305.193
_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  0.121  0.940  0.181  1.0
  Li  Li1  1  0.121  0.440  0.681  1.0
  Li  Li2  1  0.502  0.749  0.752  1.0
  Li  Li3  1  0.501  0.249  0.252  1.0
  Mn  Mn4  1  0.879  0.061  0.818  1.0
  Mn  Mn5  1  0.879  0.560  0.319  1.0
  V  V6  1  0.492  0.505  0.501  1.0
  V  V7  1  0.507  0.005  0.001  1.0
  V  V8  1  0.504  0.991  0.501  1.0
  V  V9  1  0.489  0.506  0.001  1.0
  V  V10  1  0.006  0.003  0.501  1.0
  V  V11  1  0.006  0.488  0.001  1.0
  O  O12  1  0.259  0.870  0.389  1.0
  O  O13  1  0.259  0.370  0.889  1.0
  O  O14  1  0.739  0.630  0.109  1.0
  O  O15  1  0.739  0.130  0.609  1.0
  O  O16  1  0.708  0.661  0.604  1.0
  O  O17  1  0.708  0.131  0.105  1.0
  O  O18  1  0.266  0.631  0.604  1.0
  O  O19  1  0.236  0.161  0.105  1.0
  O  O20  1  0.235  0.104  0.604  1.0
  O  O21  1  0.265  0.604  0.105  1.0
  O  O22  1  0.734  0.401  0.895  1.0
  O  O23  1  0.760  0.901  0.394  1.0
  O  O24  1  0.760  0.839  0.895  1.0
  O  O25  1  0.733  0.366  0.394  1.0
  O  O26  1  0.296  0.865  0.895  1.0
  O  O27  1  0.296  0.339  0.394  1.0
[/CIF]
.
The crystal structure described by Li2V3MnO8 is Spinel-derived structured and crystallizes in the trigonal R3 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1) and three equivalent O(6) atoms to form LiO4 tetrahedra that share corners with three equivalent Li(4)O6 octahedra, corners with three equivalent V(1)O6 octahedra, and corners with six equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-65°. In the second Li site, Li(2) is bonded to one O(2) and three equivalent O(5) atoms to form LiO4 tetrahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent V(2)O6 octahedra, and corners with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-65°. In the third Li site, Li(3) is bonded to three equivalent O(5) and three equivalent O(7) atoms to form LiO6 octahedra that share corners with three equivalent Li(2)O4 tetrahedra, corners with three equivalent Mn(1)O4 tetrahedra, edges with three equivalent V(1)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. In the fourth Li site, Li(4) is bonded to three equivalent O(6) and three equivalent O(8) atoms to form LiO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Mn(2)O4 tetrahedra, edges with three equivalent V(1)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(4), two equivalent O(5), and two equivalent O(8) atoms to form VO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Mn(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Mn(2)O4 tetrahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. In the second V site, V(2) is bonded to one O(2), one O(3), two equivalent O(6), and two equivalent O(7) atoms to form VO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Mn(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(4) and three equivalent O(7) atoms to form MnO4 tetrahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent V(1)O6 octahedra, and corners with six equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-64°. In the second Mn site, Mn(2) is bonded to one O(3) and three equivalent O(8) atoms to form MnO4 tetrahedra that share corners with three equivalent Li(4)O6 octahedra, corners with three equivalent V(2)O6 octahedra, and corners with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-64°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1) and three equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(2) and three equivalent V(2) atoms. In the third O site, O(3) is bonded to three equivalent V(2) and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OMnV3 trigonal pyramids. In the fourth O site, O(4) is bonded to three equivalent V(1) and one Mn(1) atom to form a mixture of distorted corner and edge-sharing OMnV3 trigonal pyramids. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(3), and two equivalent V(1) atoms. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(4), and two equivalent V(2) atoms. In the seventh O site, O(7) is bonded to one Li(3), two equivalent V(2), and one Mn(1) atom to form distorted OLiMnV2 tetrahedra that share corners with two equivalent O(7)LiMnV2 tetrahedra,  a cornercorner with one O(4)MnV3 trigonal pyramid, edges with two equivalent O(7)LiMnV2 tetrahedra, and  an edgeedge with one O(3)MnV3 trigonal pyramid. In the eighth O site, O(8) is bonded to one Li(4), two equivalent V(1), and one Mn(2) atom to form distorted OLiMnV2 tetrahedra that share corners with two equivalent O(8)LiMnV2 tetrahedra,  a cornercorner with one O(3)MnV3 trigonal pyramid, edges with two equivalent O(8)LiMnV2 tetrahedra, and  an edgeedge with one O(4)MnV3 trigonal pyramid. is represented by the CIF card [CIF]
data_Li2MnV3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.968
_cell_length_b   5.968
_cell_length_c   10.478
_cell_angle_alpha   90.000
_cell_angle_beta   106.543
_cell_angle_gamma   60.002
_symmetry_Int_Tables_number   1
_cell_volume   305.193
_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  0.121  0.940  0.181  1.0
  Li  Li1  1  0.121  0.440  0.681  1.0
  Li  Li2  1  0.502  0.749  0.752  1.0
  Li  Li3  1  0.501  0.249  0.252  1.0
  Mn  Mn4  1  0.879  0.061  0.818  1.0
  Mn  Mn5  1  0.879  0.560  0.319  1.0
  V  V6  1  0.492  0.505  0.501  1.0
  V  V7  1  0.507  0.005  0.001  1.0
  V  V8  1  0.504  0.991  0.501  1.0
  V  V9  1  0.489  0.506  0.001  1.0
  V  V10  1  0.006  0.003  0.501  1.0
  V  V11  1  0.006  0.488  0.001  1.0
  O  O12  1  0.259  0.870  0.389  1.0
  O  O13  1  0.259  0.370  0.889  1.0
  O  O14  1  0.739  0.630  0.109  1.0
  O  O15  1  0.739  0.130  0.609  1.0
  O  O16  1  0.708  0.661  0.604  1.0
  O  O17  1  0.708  0.131  0.105  1.0
  O  O18  1  0.266  0.631  0.604  1.0
  O  O19  1  0.236  0.161  0.105  1.0
  O  O20  1  0.235  0.104  0.604  1.0
  O  O21  1  0.265  0.604  0.105  1.0
  O  O22  1  0.734  0.401  0.895  1.0
  O  O23  1  0.760  0.901  0.394  1.0
  O  O24  1  0.760  0.839  0.895  1.0
  O  O25  1  0.733  0.366  0.394  1.0
  O  O26  1  0.296  0.865  0.895  1.0
  O  O27  1  0.296  0.339  0.394  1.0
[/CIF]
.