The material structure described by Li5V4O8 crystallizes in the cubic F-43m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. In the second Li site, Li(2) is bonded to four equivalent O(2) atoms to form LiO4 tetrahedra that share corners with twelve equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 56°. V(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form VO6 octahedra that share corners with three equivalent Li(2)O4 tetrahedra and edges with six equivalent V(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(1) and three equivalent V(1) atoms to form edge-sharing OLi3V3 octahedra. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(2), three equivalent Li(1), and three equivalent V(1) atoms. is represented by the CIF file [CIF]
data_Li5V4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.989
_cell_length_b   5.989
_cell_length_c   5.989
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   151.868
_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  0.146  0.146  0.146  1.0
  Li  Li1  1  0.146  0.563  0.146  1.0
  Li  Li2  1  0.146  0.146  0.563  1.0
  Li  Li3  1  0.000  0.000  0.000  1.0
  Li  Li4  1  0.563  0.146  0.146  1.0
  V  V5  1  0.625  0.625  0.124  1.0
  V  V6  1  0.625  0.625  0.625  1.0
  V  V7  1  0.124  0.625  0.625  1.0
  V  V8  1  0.625  0.124  0.625  1.0
  O  O9  1  0.380  0.380  0.380  1.0
  O  O10  1  0.861  0.380  0.380  1.0
  O  O11  1  0.380  0.861  0.380  1.0
  O  O12  1  0.380  0.380  0.861  1.0
  O  O13  1  0.871  0.388  0.871  1.0
  O  O14  1  0.871  0.871  0.388  1.0
  O  O15  1  0.388  0.871  0.871  1.0
  O  O16  1  0.871  0.871  0.871  1.0
[/CIF]
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The material structure described by Li5V4O8 crystallizes in the cubic F-43m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. In the second Li site, Li(2) is bonded to four equivalent O(2) atoms to form LiO4 tetrahedra that share corners with twelve equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 56°. V(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form VO6 octahedra that share corners with three equivalent Li(2)O4 tetrahedra and edges with six equivalent V(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(1) and three equivalent V(1) atoms to form edge-sharing OLi3V3 octahedra. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(2), three equivalent Li(1), and three equivalent V(1) atoms. is represented by the CIF file [CIF]
data_Li5V4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.989
_cell_length_b   5.989
_cell_length_c   5.989
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   151.868
_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  0.146  0.146  0.146  1.0
  Li  Li1  1  0.146  0.563  0.146  1.0
  Li  Li2  1  0.146  0.146  0.563  1.0
  Li  Li3  1  0.000  0.000  0.000  1.0
  Li  Li4  1  0.563  0.146  0.146  1.0
  V  V5  1  0.625  0.625  0.124  1.0
  V  V6  1  0.625  0.625  0.625  1.0
  V  V7  1  0.124  0.625  0.625  1.0
  V  V8  1  0.625  0.124  0.625  1.0
  O  O9  1  0.380  0.380  0.380  1.0
  O  O10  1  0.861  0.380  0.380  1.0
  O  O11  1  0.380  0.861  0.380  1.0
  O  O12  1  0.380  0.380  0.861  1.0
  O  O13  1  0.871  0.388  0.871  1.0
  O  O14  1  0.871  0.871  0.388  1.0
  O  O15  1  0.388  0.871  0.871  1.0
  O  O16  1  0.871  0.871  0.871  1.0
[/CIF]
.