The compound described by Li2V3MnO8 is Spinel-derived structured and crystallizes in the trigonal P31c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3) and three equivalent O(2) atoms to form LiO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra and corners with nine equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-68°. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(4) and three equivalent O(1) atoms. V(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form VO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. Mn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent V(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent V(1), and one Mn(1) atom. In the second O site, O(2) is bonded to one Li(1), two equivalent V(1), and one Mn(1) atom to form distorted OLiMnV2 tetrahedra that share corners with two equivalent O(2)LiMnV2 tetrahedra, corners with two equivalent O(4)LiV3 tetrahedra, and edges with two equivalent O(2)LiMnV2 tetrahedra. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1) and three equivalent V(1) atoms. In the fourth O site, O(4) is bonded to one Li(2) and three equivalent V(1) atoms to form distorted corner-sharing OLiV3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MnV3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.931
_cell_length_b   5.931
_cell_length_c   9.929
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   302.477
_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  0.333  0.667  0.894  1.0
  Li  Li1  1  0.000  0.000  0.997  1.0
  Li  Li2  1  0.000  0.000  0.497  1.0
  Li  Li3  1  0.667  0.333  0.394  1.0
  Mn  Mn4  1  0.333  0.667  0.497  1.0
  Mn  Mn5  1  0.667  0.333  0.997  1.0
  V  V6  1  0.158  0.820  0.214  1.0
  V  V7  1  0.180  0.338  0.214  1.0
  V  V8  1  0.662  0.842  0.214  1.0
  V  V9  1  0.338  0.180  0.714  1.0
  V  V10  1  0.842  0.662  0.714  1.0
  V  V11  1  0.820  0.158  0.714  1.0
  O  O12  1  0.169  0.858  0.609  1.0
  O  O13  1  0.034  0.533  0.326  1.0
  O  O14  1  0.333  0.667  0.103  1.0
  O  O15  1  0.000  0.000  0.314  1.0
  O  O16  1  0.000  0.000  0.814  1.0
  O  O17  1  0.142  0.311  0.609  1.0
  O  O18  1  0.499  0.966  0.326  1.0
  O  O19  1  0.467  0.501  0.326  1.0
  O  O20  1  0.311  0.142  0.109  1.0
  O  O21  1  0.689  0.831  0.609  1.0
  O  O22  1  0.501  0.467  0.826  1.0
  O  O23  1  0.533  0.034  0.826  1.0
  O  O24  1  0.667  0.333  0.603  1.0
  O  O25  1  0.831  0.689  0.109  1.0
  O  O26  1  0.966  0.499  0.826  1.0
  O  O27  1  0.858  0.169  0.109  1.0
[/CIF]
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The compound described by Li2V3MnO8 is Spinel-derived structured and crystallizes in the trigonal P31c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3) and three equivalent O(2) atoms to form LiO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra and corners with nine equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-68°. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(4) and three equivalent O(1) atoms. V(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form VO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. Mn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent V(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent V(1), and one Mn(1) atom. In the second O site, O(2) is bonded to one Li(1), two equivalent V(1), and one Mn(1) atom to form distorted OLiMnV2 tetrahedra that share corners with two equivalent O(2)LiMnV2 tetrahedra, corners with two equivalent O(4)LiV3 tetrahedra, and edges with two equivalent O(2)LiMnV2 tetrahedra. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1) and three equivalent V(1) atoms. In the fourth O site, O(4) is bonded to one Li(2) and three equivalent V(1) atoms to form distorted corner-sharing OLiV3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MnV3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.931
_cell_length_b   5.931
_cell_length_c   9.929
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   302.477
_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  0.333  0.667  0.894  1.0
  Li  Li1  1  0.000  0.000  0.997  1.0
  Li  Li2  1  0.000  0.000  0.497  1.0
  Li  Li3  1  0.667  0.333  0.394  1.0
  Mn  Mn4  1  0.333  0.667  0.497  1.0
  Mn  Mn5  1  0.667  0.333  0.997  1.0
  V  V6  1  0.158  0.820  0.214  1.0
  V  V7  1  0.180  0.338  0.214  1.0
  V  V8  1  0.662  0.842  0.214  1.0
  V  V9  1  0.338  0.180  0.714  1.0
  V  V10  1  0.842  0.662  0.714  1.0
  V  V11  1  0.820  0.158  0.714  1.0
  O  O12  1  0.169  0.858  0.609  1.0
  O  O13  1  0.034  0.533  0.326  1.0
  O  O14  1  0.333  0.667  0.103  1.0
  O  O15  1  0.000  0.000  0.314  1.0
  O  O16  1  0.000  0.000  0.814  1.0
  O  O17  1  0.142  0.311  0.609  1.0
  O  O18  1  0.499  0.966  0.326  1.0
  O  O19  1  0.467  0.501  0.326  1.0
  O  O20  1  0.311  0.142  0.109  1.0
  O  O21  1  0.689  0.831  0.609  1.0
  O  O22  1  0.501  0.467  0.826  1.0
  O  O23  1  0.533  0.034  0.826  1.0
  O  O24  1  0.667  0.333  0.603  1.0
  O  O25  1  0.831  0.689  0.109  1.0
  O  O26  1  0.966  0.499  0.826  1.0
  O  O27  1  0.858  0.169  0.109  1.0
[/CIF]
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