The structure described by Li2V3MnO8 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(2), one O(8), and two equivalent O(5) atoms to form LiO5 square pyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and  an edgeedge with one Li(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 2-12°. In the second Li site, Li(2) is bonded to one O(1), one O(7), one O(8), and two equivalent O(4) atoms to form LiO5 square pyramids that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, corners with two equivalent Li(2)O5 square pyramids,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles are 1°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(8) atoms to form distorted VO6 octahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Li(1)O5 square pyramids, and edges with two equivalent Li(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 6-27°. In the second V site, V(2) is bonded to one O(4), one O(5), one O(6), one O(7), and two equivalent O(1) atoms to form distorted VO6 octahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(2)O5 square pyramid,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, edges with two equivalent Li(1)O5 square pyramids, and edges with two equivalent Li(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 17-30°. In the third V site, V(3) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(7) atoms to form distorted VO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  a cornercorner with one Li(2)O5 square pyramid,  an edgeedge with one V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(1)O5 square pyramid, and edges with two equivalent Li(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 6-30°. Mn(1) is bonded to one O(5), one O(6), one O(7), one O(8), and two equivalent O(2) atoms to form distorted MnO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra,  an edgeedge with one Li(2)O5 square pyramid, and edges with two equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 17-27°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one V(3), and two equivalent V(2) atoms to form OLi2V3 square pyramids that share  a cornercorner with one O(7)LiMnV3 square pyramid, corners with two equivalent O(1)Li2V3 square pyramids,  a cornercorner with one O(4)Li2V3 trigonal bipyramid,  an edgeedge with one O(8)Li2MnV2 square pyramid, edges with two equivalent O(7)LiMnV3 square pyramids,  an edgeedge with one O(2)LiMn2V2 trigonal bipyramid, edges with two equivalent O(5)Li2MnV2 trigonal bipyramids, and edges with two equivalent O(4)Li2V3 trigonal bipyramids. In the second O site, O(2) is bonded to one Li(1), one V(1), one V(3), and two equivalent Mn(1) atoms to form OLiMn2V2 trigonal bipyramids that share  a cornercorner with one O(8)Li2MnV2 square pyramid,  a cornercorner with one O(5)Li2MnV2 trigonal bipyramid, corners with two equivalent O(2)LiMn2V2 trigonal bipyramids,  an edgeedge with one O(1)Li2V3 square pyramid, edges with two equivalent O(8)Li2MnV2 square pyramids, edges with two equivalent O(7)LiMnV3 square pyramids,  an edgeedge with one O(4)Li2V3 trigonal bipyramid, and edges with two equivalent O(5)Li2MnV2 trigonal bipyramids. In the third O site, O(3) is bonded in a linear geometry to one V(1) and one V(3) atom. In the fourth O site, O(4) is bonded to two equivalent Li(2), one V(1), one V(2), and one V(3) atom to form OLi2V3 trigonal bipyramids that share  a cornercorner with one O(1)Li2V3 square pyramid,  a cornercorner with one O(7)LiMnV3 square pyramid, corners with two equivalent O(4)Li2V3 trigonal bipyramids, edges with two equivalent O(8)Li2MnV2 square pyramids, edges with two equivalent O(1)Li2V3 square pyramids, edges with two equivalent O(7)LiMnV3 square pyramids,  an edgeedge with one O(5)Li2MnV2 trigonal bipyramid, and  an edgeedge with one O(2)LiMn2V2 trigonal bipyramid. In the fifth O site, O(5) is bonded to two equivalent Li(1), one V(1), one V(2), and one Mn(1) atom to form OLi2MnV2 trigonal bipyramids that share  a cornercorner with one O(8)Li2MnV2 square pyramid,  a cornercorner with one O(2)LiMn2V2 trigonal bipyramid, corners with two equivalent O(5)Li2MnV2 trigonal bipyramids,  an edgeedge with one O(7)LiMnV3 square pyramid, edges with two equivalent O(8)Li2MnV2 square pyramids, edges with two equivalent O(1)Li2V3 square pyramids,  an edgeedge with one O(4)Li2V3 trigonal bipyramid, and edges with two equivalent O(2)LiMn2V2 trigonal bipyramids. In the sixth O site, O(6) is bonded in a distorted linear geometry to one V(2) and one Mn(1) atom. In the seventh O site, O(7) is bonded to one Li(2), one V(2), two equivalent V(3), and one Mn(1) atom to form OLiMnV3 square pyramids that share  a cornercorner with one O(1)Li2V3 square pyramid, corners with two equivalent O(7)LiMnV3 square pyramids,  a cornercorner with one O(4)Li2V3 trigonal bipyramid,  an edgeedge with one O(8)Li2MnV2 square pyramid, edges with two equivalent O(1)Li2V3 square pyramids,  an edgeedge with one O(5)Li2MnV2 trigonal bipyramid, edges with two equivalent O(4)Li2V3 trigonal bipyramids, and edges with two equivalent O(2)LiMn2V2 trigonal bipyramids. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), two equivalent V(1), and one Mn(1) atom to form OLi2MnV2 square pyramids that share corners with two equivalent O(8)Li2MnV2 square pyramids,  a cornercorner with one O(5)Li2MnV2 trigonal bipyramid,  a cornercorner with one O(2)LiMn2V2 trigonal bipyramid,  an edgeedge with one O(1)Li2V3 square pyramid,  an edgeedge with one O(7)LiMnV3 square pyramid, edges with two equivalent O(5)Li2MnV2 trigonal bipyramids, edges with two equivalent O(4)Li2V3 trigonal bipyramids, and edges with two equivalent O(2)LiMn2V2 trigonal bipyramids. is represented by the CIF card [CIF]
data_Li2MnV3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.418
_cell_length_b   6.418
_cell_length_c   6.575
_cell_angle_alpha   73.656
_cell_angle_beta   73.656
_cell_angle_gamma   36.710
_symmetry_Int_Tables_number   1
_cell_volume   154.613
_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  0.940  0.940  0.353  1.0
  Li  Li1  1  0.059  0.059  0.641  1.0
  Mn  Mn2  1  0.290  0.290  0.298  1.0
  V  V3  1  0.609  0.609  0.288  1.0
  V  V4  1  0.388  0.388  0.712  1.0
  V  V5  1  0.708  0.708  0.707  1.0
  O  O6  1  0.875  0.875  0.673  1.0
  O  O7  1  0.765  0.765  0.356  1.0
  O  O8  1  0.650  0.650  0.004  1.0
  O  O9  1  0.562  0.562  0.628  1.0
  O  O10  1  0.442  0.442  0.366  1.0
  O  O11  1  0.366  0.366  0.977  1.0
  O  O12  1  0.228  0.228  0.679  1.0
  O  O13  1  0.118  0.118  0.318  1.0
[/CIF]
.
The structure described by Li2V3MnO8 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(2), one O(8), and two equivalent O(5) atoms to form LiO5 square pyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and  an edgeedge with one Li(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 2-12°. In the second Li site, Li(2) is bonded to one O(1), one O(7), one O(8), and two equivalent O(4) atoms to form LiO5 square pyramids that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, corners with two equivalent Li(2)O5 square pyramids,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles are 1°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(8) atoms to form distorted VO6 octahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Li(1)O5 square pyramids, and edges with two equivalent Li(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 6-27°. In the second V site, V(2) is bonded to one O(4), one O(5), one O(6), one O(7), and two equivalent O(1) atoms to form distorted VO6 octahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(2)O5 square pyramid,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, edges with two equivalent Li(1)O5 square pyramids, and edges with two equivalent Li(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 17-30°. In the third V site, V(3) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(7) atoms to form distorted VO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  a cornercorner with one Li(2)O5 square pyramid,  an edgeedge with one V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(1)O5 square pyramid, and edges with two equivalent Li(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 6-30°. Mn(1) is bonded to one O(5), one O(6), one O(7), one O(8), and two equivalent O(2) atoms to form distorted MnO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra,  an edgeedge with one Li(2)O5 square pyramid, and edges with two equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 17-27°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one V(3), and two equivalent V(2) atoms to form OLi2V3 square pyramids that share  a cornercorner with one O(7)LiMnV3 square pyramid, corners with two equivalent O(1)Li2V3 square pyramids,  a cornercorner with one O(4)Li2V3 trigonal bipyramid,  an edgeedge with one O(8)Li2MnV2 square pyramid, edges with two equivalent O(7)LiMnV3 square pyramids,  an edgeedge with one O(2)LiMn2V2 trigonal bipyramid, edges with two equivalent O(5)Li2MnV2 trigonal bipyramids, and edges with two equivalent O(4)Li2V3 trigonal bipyramids. In the second O site, O(2) is bonded to one Li(1), one V(1), one V(3), and two equivalent Mn(1) atoms to form OLiMn2V2 trigonal bipyramids that share  a cornercorner with one O(8)Li2MnV2 square pyramid,  a cornercorner with one O(5)Li2MnV2 trigonal bipyramid, corners with two equivalent O(2)LiMn2V2 trigonal bipyramids,  an edgeedge with one O(1)Li2V3 square pyramid, edges with two equivalent O(8)Li2MnV2 square pyramids, edges with two equivalent O(7)LiMnV3 square pyramids,  an edgeedge with one O(4)Li2V3 trigonal bipyramid, and edges with two equivalent O(5)Li2MnV2 trigonal bipyramids. In the third O site, O(3) is bonded in a linear geometry to one V(1) and one V(3) atom. In the fourth O site, O(4) is bonded to two equivalent Li(2), one V(1), one V(2), and one V(3) atom to form OLi2V3 trigonal bipyramids that share  a cornercorner with one O(1)Li2V3 square pyramid,  a cornercorner with one O(7)LiMnV3 square pyramid, corners with two equivalent O(4)Li2V3 trigonal bipyramids, edges with two equivalent O(8)Li2MnV2 square pyramids, edges with two equivalent O(1)Li2V3 square pyramids, edges with two equivalent O(7)LiMnV3 square pyramids,  an edgeedge with one O(5)Li2MnV2 trigonal bipyramid, and  an edgeedge with one O(2)LiMn2V2 trigonal bipyramid. In the fifth O site, O(5) is bonded to two equivalent Li(1), one V(1), one V(2), and one Mn(1) atom to form OLi2MnV2 trigonal bipyramids that share  a cornercorner with one O(8)Li2MnV2 square pyramid,  a cornercorner with one O(2)LiMn2V2 trigonal bipyramid, corners with two equivalent O(5)Li2MnV2 trigonal bipyramids,  an edgeedge with one O(7)LiMnV3 square pyramid, edges with two equivalent O(8)Li2MnV2 square pyramids, edges with two equivalent O(1)Li2V3 square pyramids,  an edgeedge with one O(4)Li2V3 trigonal bipyramid, and edges with two equivalent O(2)LiMn2V2 trigonal bipyramids. In the sixth O site, O(6) is bonded in a distorted linear geometry to one V(2) and one Mn(1) atom. In the seventh O site, O(7) is bonded to one Li(2), one V(2), two equivalent V(3), and one Mn(1) atom to form OLiMnV3 square pyramids that share  a cornercorner with one O(1)Li2V3 square pyramid, corners with two equivalent O(7)LiMnV3 square pyramids,  a cornercorner with one O(4)Li2V3 trigonal bipyramid,  an edgeedge with one O(8)Li2MnV2 square pyramid, edges with two equivalent O(1)Li2V3 square pyramids,  an edgeedge with one O(5)Li2MnV2 trigonal bipyramid, edges with two equivalent O(4)Li2V3 trigonal bipyramids, and edges with two equivalent O(2)LiMn2V2 trigonal bipyramids. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), two equivalent V(1), and one Mn(1) atom to form OLi2MnV2 square pyramids that share corners with two equivalent O(8)Li2MnV2 square pyramids,  a cornercorner with one O(5)Li2MnV2 trigonal bipyramid,  a cornercorner with one O(2)LiMn2V2 trigonal bipyramid,  an edgeedge with one O(1)Li2V3 square pyramid,  an edgeedge with one O(7)LiMnV3 square pyramid, edges with two equivalent O(5)Li2MnV2 trigonal bipyramids, edges with two equivalent O(4)Li2V3 trigonal bipyramids, and edges with two equivalent O(2)LiMn2V2 trigonal bipyramids. is represented by the CIF card [CIF]
data_Li2MnV3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.418
_cell_length_b   6.418
_cell_length_c   6.575
_cell_angle_alpha   73.656
_cell_angle_beta   73.656
_cell_angle_gamma   36.710
_symmetry_Int_Tables_number   1
_cell_volume   154.613
_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  0.940  0.940  0.353  1.0
  Li  Li1  1  0.059  0.059  0.641  1.0
  Mn  Mn2  1  0.290  0.290  0.298  1.0
  V  V3  1  0.609  0.609  0.288  1.0
  V  V4  1  0.388  0.388  0.712  1.0
  V  V5  1  0.708  0.708  0.707  1.0
  O  O6  1  0.875  0.875  0.673  1.0
  O  O7  1  0.765  0.765  0.356  1.0
  O  O8  1  0.650  0.650  0.004  1.0
  O  O9  1  0.562  0.562  0.628  1.0
  O  O10  1  0.442  0.442  0.366  1.0
  O  O11  1  0.366  0.366  0.977  1.0
  O  O12  1  0.228  0.228  0.679  1.0
  O  O13  1  0.118  0.118  0.318  1.0
[/CIF]
.