The crystal structure described by LiV4Mn2O8 crystallizes in the triclinic P-1 space group. Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted LiO6 octahedra that share corners with six equivalent V(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. There are four 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 edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. In the third V site, V(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the fourth V site, V(4) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. Mn(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one V(1), one V(2), one V(3), and one Mn(1) atom to form OLiMnV3 square pyramids that share  a cornercorner with one O(2)LiMnV3 square pyramid,  a cornercorner with one O(3)LiMnV3 square pyramid, corners with four equivalent O(1)LiMnV3 square pyramids, corners with three equivalent O(4)MnV3 trigonal pyramids, edges with three equivalent O(2)LiMnV3 square pyramids, edges with three equivalent O(3)LiMnV3 square pyramids, and  an edgeedge with one O(4)MnV3 trigonal pyramid. In the second O site, O(2) is bonded to one Li(1), one V(1), one V(2), one V(4), and one Mn(1) atom to form OLiMnV3 square pyramids that share  a cornercorner with one O(1)LiMnV3 square pyramid,  a cornercorner with one O(3)LiMnV3 square pyramid, corners with four equivalent O(2)LiMnV3 square pyramids, corners with three equivalent O(4)MnV3 trigonal pyramids, edges with three equivalent O(1)LiMnV3 square pyramids, edges with three equivalent O(3)LiMnV3 square pyramids, and  an edgeedge with one O(4)MnV3 trigonal pyramid. In the third O site, O(3) is bonded to one Li(1), one V(2), one V(3), one V(4), and one Mn(1) atom to form OLiMnV3 square pyramids that share  a cornercorner with one O(1)LiMnV3 square pyramid,  a cornercorner with one O(2)LiMnV3 square pyramid, corners with four equivalent O(3)LiMnV3 square pyramids, corners with three equivalent O(4)MnV3 trigonal pyramids, edges with three equivalent O(1)LiMnV3 square pyramids, edges with three equivalent O(2)LiMnV3 square pyramids, and  an edgeedge with one O(4)MnV3 trigonal pyramid. In the fourth O site, O(4) is bonded to one V(1), one V(3), one V(4), and one Mn(1) atom to form distorted OMnV3 trigonal pyramids that share corners with three equivalent O(1)LiMnV3 square pyramids, corners with three equivalent O(2)LiMnV3 square pyramids, corners with three equivalent O(3)LiMnV3 square pyramids, corners with three equivalent O(4)MnV3 trigonal pyramids,  an edgeedge with one O(1)LiMnV3 square pyramid,  an edgeedge with one O(2)LiMnV3 square pyramid, and  an edgeedge with one O(3)LiMnV3 square pyramid. is represented by the CIF file [CIF]
data_LiMn2V4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.040
_cell_length_b   6.411
_cell_length_c   6.029
_cell_angle_alpha   61.874
_cell_angle_beta   60.050
_cell_angle_gamma   61.576
_symmetry_Int_Tables_number   1
_cell_volume   169.330
_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  0.000  0.500  0.000  1.0
  Mn  Mn1  1  0.145  0.066  0.144  1.0
  Mn  Mn2  1  0.855  0.934  0.856  1.0
  V  V3  1  0.500  0.500  1.000  1.0
  V  V4  1  0.500  1.000  0.500  1.0
  V  V5  1  0.500  0.500  0.500  1.0
  V  V6  1  1.000  0.500  0.500  1.0
  O  O7  1  0.730  0.273  0.247  1.0
  O  O8  1  0.754  0.719  0.754  1.0
  O  O9  1  0.246  0.281  0.246  1.0
  O  O10  1  0.248  0.278  0.728  1.0
  O  O11  1  0.729  0.305  0.732  1.0
  O  O12  1  0.270  0.727  0.753  1.0
  O  O13  1  0.752  0.722  0.272  1.0
  O  O14  1  0.271  0.695  0.268  1.0
[/CIF]
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The crystal structure described by LiV4Mn2O8 crystallizes in the triclinic P-1 space group. Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted LiO6 octahedra that share corners with six equivalent V(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. There are four 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 edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. In the third V site, V(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the fourth V site, V(4) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. Mn(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one V(1), one V(2), one V(3), and one Mn(1) atom to form OLiMnV3 square pyramids that share  a cornercorner with one O(2)LiMnV3 square pyramid,  a cornercorner with one O(3)LiMnV3 square pyramid, corners with four equivalent O(1)LiMnV3 square pyramids, corners with three equivalent O(4)MnV3 trigonal pyramids, edges with three equivalent O(2)LiMnV3 square pyramids, edges with three equivalent O(3)LiMnV3 square pyramids, and  an edgeedge with one O(4)MnV3 trigonal pyramid. In the second O site, O(2) is bonded to one Li(1), one V(1), one V(2), one V(4), and one Mn(1) atom to form OLiMnV3 square pyramids that share  a cornercorner with one O(1)LiMnV3 square pyramid,  a cornercorner with one O(3)LiMnV3 square pyramid, corners with four equivalent O(2)LiMnV3 square pyramids, corners with three equivalent O(4)MnV3 trigonal pyramids, edges with three equivalent O(1)LiMnV3 square pyramids, edges with three equivalent O(3)LiMnV3 square pyramids, and  an edgeedge with one O(4)MnV3 trigonal pyramid. In the third O site, O(3) is bonded to one Li(1), one V(2), one V(3), one V(4), and one Mn(1) atom to form OLiMnV3 square pyramids that share  a cornercorner with one O(1)LiMnV3 square pyramid,  a cornercorner with one O(2)LiMnV3 square pyramid, corners with four equivalent O(3)LiMnV3 square pyramids, corners with three equivalent O(4)MnV3 trigonal pyramids, edges with three equivalent O(1)LiMnV3 square pyramids, edges with three equivalent O(2)LiMnV3 square pyramids, and  an edgeedge with one O(4)MnV3 trigonal pyramid. In the fourth O site, O(4) is bonded to one V(1), one V(3), one V(4), and one Mn(1) atom to form distorted OMnV3 trigonal pyramids that share corners with three equivalent O(1)LiMnV3 square pyramids, corners with three equivalent O(2)LiMnV3 square pyramids, corners with three equivalent O(3)LiMnV3 square pyramids, corners with three equivalent O(4)MnV3 trigonal pyramids,  an edgeedge with one O(1)LiMnV3 square pyramid,  an edgeedge with one O(2)LiMnV3 square pyramid, and  an edgeedge with one O(3)LiMnV3 square pyramid. is represented by the CIF file [CIF]
data_LiMn2V4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.040
_cell_length_b   6.411
_cell_length_c   6.029
_cell_angle_alpha   61.874
_cell_angle_beta   60.050
_cell_angle_gamma   61.576
_symmetry_Int_Tables_number   1
_cell_volume   169.330
_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  0.000  0.500  0.000  1.0
  Mn  Mn1  1  0.145  0.066  0.144  1.0
  Mn  Mn2  1  0.855  0.934  0.856  1.0
  V  V3  1  0.500  0.500  1.000  1.0
  V  V4  1  0.500  1.000  0.500  1.0
  V  V5  1  0.500  0.500  0.500  1.0
  V  V6  1  1.000  0.500  0.500  1.0
  O  O7  1  0.730  0.273  0.247  1.0
  O  O8  1  0.754  0.719  0.754  1.0
  O  O9  1  0.246  0.281  0.246  1.0
  O  O10  1  0.248  0.278  0.728  1.0
  O  O11  1  0.729  0.305  0.732  1.0
  O  O12  1  0.270  0.727  0.753  1.0
  O  O13  1  0.752  0.722  0.272  1.0
  O  O14  1  0.271  0.695  0.268  1.0
[/CIF]
.