The compound described by Li2V3MnO8 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(6), and two equivalent O(4) atoms to form LiO4 tetrahedra that share corners with three equivalent V(2)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, and corners with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. In the second Li site, Li(2) is bonded to one O(2), one O(5), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with three equivalent V(2)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and corners with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-61°. There are two inequivalent V sites. In the first V site, V(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 VO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. In the second V site, V(2) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(6) and four equivalent O(4) atoms to form MnO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(5) and four equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Li(2)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(2), and two 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), one V(2), and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(1), one V(2), and one Mn(2) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(2), and one Mn(1) atom. In the fifth O site, O(5) is bonded to one Li(2), two equivalent V(1), and one Mn(2) atom to form distorted corner-sharing OLiMnV2 trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(1), two equivalent V(1), and one Mn(1) atom to form distorted corner-sharing OLiMnV2 trigonal pyramids. is represented by the CIF file [CIF]
data_Li2MnV3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.911
_cell_length_b   5.949
_cell_length_c   5.949
_cell_angle_alpha   119.487
_cell_angle_beta   119.508
_cell_angle_gamma   60.487
_symmetry_Int_Tables_number   1
_cell_volume   149.554
_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  0.618  0.129  0.871  1.0
  Li  Li1  1  0.382  0.871  0.129  1.0
  Mn  Mn2  1  0.500  0.500  0.500  1.0
  O  O3  1  0.209  0.272  0.728  1.0
  O  O4  1  0.791  0.728  0.272  1.0
  O  O5  1  0.750  0.715  0.725  1.0
  O  O6  1  0.752  0.269  0.731  1.0
  O  O7  1  0.750  0.275  0.285  1.0
  O  O8  1  0.250  0.725  0.715  1.0
  O  O9  1  0.248  0.731  0.269  1.0
  O  O10  1  0.250  0.285  0.275  1.0
  V  V11  1  0.000  0.500  0.000  1.0
  V  V12  1  0.000  0.500  0.500  1.0
  V  V13  1  0.000  1.000  0.500  1.0
[/CIF]
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The compound described by Li2V3MnO8 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(6), and two equivalent O(4) atoms to form LiO4 tetrahedra that share corners with three equivalent V(2)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, and corners with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. In the second Li site, Li(2) is bonded to one O(2), one O(5), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with three equivalent V(2)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and corners with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-61°. There are two inequivalent V sites. In the first V site, V(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 VO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. In the second V site, V(2) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(6) and four equivalent O(4) atoms to form MnO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(5) and four equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Li(2)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(2), and two 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), one V(2), and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(1), one V(2), and one Mn(2) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(2), and one Mn(1) atom. In the fifth O site, O(5) is bonded to one Li(2), two equivalent V(1), and one Mn(2) atom to form distorted corner-sharing OLiMnV2 trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(1), two equivalent V(1), and one Mn(1) atom to form distorted corner-sharing OLiMnV2 trigonal pyramids. is represented by the CIF file [CIF]
data_Li2MnV3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.911
_cell_length_b   5.949
_cell_length_c   5.949
_cell_angle_alpha   119.487
_cell_angle_beta   119.508
_cell_angle_gamma   60.487
_symmetry_Int_Tables_number   1
_cell_volume   149.554
_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  0.618  0.129  0.871  1.0
  Li  Li1  1  0.382  0.871  0.129  1.0
  Mn  Mn2  1  0.500  0.500  0.500  1.0
  O  O3  1  0.209  0.272  0.728  1.0
  O  O4  1  0.791  0.728  0.272  1.0
  O  O5  1  0.750  0.715  0.725  1.0
  O  O6  1  0.752  0.269  0.731  1.0
  O  O7  1  0.750  0.275  0.285  1.0
  O  O8  1  0.250  0.725  0.715  1.0
  O  O9  1  0.248  0.731  0.269  1.0
  O  O10  1  0.250  0.285  0.275  1.0
  V  V11  1  0.000  0.500  0.000  1.0
  V  V12  1  0.000  0.500  0.500  1.0
  V  V13  1  0.000  1.000  0.500  1.0
[/CIF]
.