The structure described by Li4V3MnO8 is beta Polonium-derived structured and crystallizes in the monoclinic C2 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1); one O(2); two O(3,3); and two equivalent O(4) atoms to form LiO6 octahedra that share corners with six equivalent V(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the second Li site, Li(2) is bonded to two equivalent O(1); two equivalent O(2); and two O(3,3) atoms to form LiO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with six equivalent V(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form VO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the second V site, V(2) is bonded to one O(1); one O(2); two O(3,3); and two equivalent O(4) atoms to form VO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one V(1), one V(2), and one Mn(1) atom to form OLi3MnV2 octahedra that share corners with six equivalent O(2)Li3MnV2 octahedra; edges with two equivalent O(1)Li3MnV2 octahedra; edges with two equivalent O(2)Li3MnV2 octahedra; edges with four O(3,3)Li3MnV2 octahedra; and edges with four equivalent O(4)Li3V3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one V(1), one V(2), and one Mn(1) atom to form OLi3MnV2 octahedra that share corners with six equivalent O(1)Li3MnV2 octahedra; edges with two equivalent O(1)Li3MnV2 octahedra; edges with two equivalent O(2)Li3MnV2 octahedra; edges with four O(3,3)Li3MnV2 octahedra; and edges with four equivalent O(4)Li3V3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), two equivalent V(2), and one Mn(1) atom to form OLi3MnV2 octahedra that share corners with six equivalent O(3)Li3MnV2 octahedra, edges with four equivalent O(1)Li3MnV2 octahedra, edges with four equivalent O(2)Li3MnV2 octahedra, and edges with four equivalent O(4)Li3V3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Li(1), one V(1), and two equivalent V(2) atoms to form OLi3V3 octahedra that share corners with six equivalent O(4)Li3V3 octahedra; edges with four equivalent O(1)Li3MnV2 octahedra; edges with four equivalent O(2)Li3MnV2 octahedra; and edges with four O(3,3)Li3MnV2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fifth O site, O(3) is bonded to one Li(2), two equivalent Li(1), two equivalent V(2), and one Mn(1) atom to form OLi3MnV2 octahedra that share corners with six O(3,3)Li3MnV2 octahedra; edges with four equivalent O(1)Li3MnV2 octahedra; edges with four equivalent O(2)Li3MnV2 octahedra; and edges with four equivalent O(4)Li3V3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. is represented by the CIF card [CIF]
data_Li4MnV3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.016
_cell_length_b   6.016
_cell_length_c   5.941
_cell_angle_alpha   60.688
_cell_angle_beta   60.688
_cell_angle_gamma   59.041
_symmetry_Int_Tables_number   1
_cell_volume   152.417
_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  0.986  0.506  0.007  1.0
  Li  Li1  1  0.494  0.014  0.993  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  0.000  0.000  0.500  1.0
  Mn  Mn4  1  0.000  0.000  0.000  1.0
  V  V5  1  0.500  0.500  0.000  1.0
  V  V6  1  0.500  0.000  0.500  1.0
  V  V7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.762  0.260  0.758  1.0
  O  O9  1  0.260  0.762  0.758  1.0
  O  O10  1  0.744  0.744  0.273  1.0
  O  O11  1  0.262  0.262  0.250  1.0
  O  O12  1  0.738  0.738  0.750  1.0
  O  O13  1  0.256  0.256  0.727  1.0
  O  O14  1  0.740  0.238  0.242  1.0
  O  O15  1  0.238  0.740  0.242  1.0
[/CIF]
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The structure described by Li4V3MnO8 is beta Polonium-derived structured and crystallizes in the monoclinic C2 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1); one O(2); two O(3,3); and two equivalent O(4) atoms to form LiO6 octahedra that share corners with six equivalent V(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the second Li site, Li(2) is bonded to two equivalent O(1); two equivalent O(2); and two O(3,3) atoms to form LiO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with six equivalent V(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form VO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the second V site, V(2) is bonded to one O(1); one O(2); two O(3,3); and two equivalent O(4) atoms to form VO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one V(1), one V(2), and one Mn(1) atom to form OLi3MnV2 octahedra that share corners with six equivalent O(2)Li3MnV2 octahedra; edges with two equivalent O(1)Li3MnV2 octahedra; edges with two equivalent O(2)Li3MnV2 octahedra; edges with four O(3,3)Li3MnV2 octahedra; and edges with four equivalent O(4)Li3V3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one V(1), one V(2), and one Mn(1) atom to form OLi3MnV2 octahedra that share corners with six equivalent O(1)Li3MnV2 octahedra; edges with two equivalent O(1)Li3MnV2 octahedra; edges with two equivalent O(2)Li3MnV2 octahedra; edges with four O(3,3)Li3MnV2 octahedra; and edges with four equivalent O(4)Li3V3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), two equivalent V(2), and one Mn(1) atom to form OLi3MnV2 octahedra that share corners with six equivalent O(3)Li3MnV2 octahedra, edges with four equivalent O(1)Li3MnV2 octahedra, edges with four equivalent O(2)Li3MnV2 octahedra, and edges with four equivalent O(4)Li3V3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Li(1), one V(1), and two equivalent V(2) atoms to form OLi3V3 octahedra that share corners with six equivalent O(4)Li3V3 octahedra; edges with four equivalent O(1)Li3MnV2 octahedra; edges with four equivalent O(2)Li3MnV2 octahedra; and edges with four O(3,3)Li3MnV2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fifth O site, O(3) is bonded to one Li(2), two equivalent Li(1), two equivalent V(2), and one Mn(1) atom to form OLi3MnV2 octahedra that share corners with six O(3,3)Li3MnV2 octahedra; edges with four equivalent O(1)Li3MnV2 octahedra; edges with four equivalent O(2)Li3MnV2 octahedra; and edges with four equivalent O(4)Li3V3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. is represented by the CIF card [CIF]
data_Li4MnV3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.016
_cell_length_b   6.016
_cell_length_c   5.941
_cell_angle_alpha   60.688
_cell_angle_beta   60.688
_cell_angle_gamma   59.041
_symmetry_Int_Tables_number   1
_cell_volume   152.417
_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  0.986  0.506  0.007  1.0
  Li  Li1  1  0.494  0.014  0.993  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  0.000  0.000  0.500  1.0
  Mn  Mn4  1  0.000  0.000  0.000  1.0
  V  V5  1  0.500  0.500  0.000  1.0
  V  V6  1  0.500  0.000  0.500  1.0
  V  V7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.762  0.260  0.758  1.0
  O  O9  1  0.260  0.762  0.758  1.0
  O  O10  1  0.744  0.744  0.273  1.0
  O  O11  1  0.262  0.262  0.250  1.0
  O  O12  1  0.738  0.738  0.750  1.0
  O  O13  1  0.256  0.256  0.727  1.0
  O  O14  1  0.740  0.238  0.242  1.0
  O  O15  1  0.238  0.740  0.242  1.0
[/CIF]
.