The material described by Li4V2(PO4)3 crystallizes in the trigonal R-3c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded to six equivalent O(2) atoms to form distorted LiO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and faces with two equivalent V(1)O6 octahedra. V(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and  a faceface with one Li(2)O6 octahedra. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent Li(2)O6 octahedra and corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-44°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one V(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Li4V2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.430
_cell_length_b   8.430
_cell_length_c   8.430
_cell_angle_alpha   65.232
_cell_angle_beta   65.232
_cell_angle_gamma   65.232
_symmetry_Int_Tables_number   1
_cell_volume   471.841
_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  0.344  0.750  0.156  1.0
  Li  Li1  1  0.844  0.656  0.250  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  0.750  0.156  0.344  1.0
  Li  Li4  1  0.250  0.844  0.656  1.0
  Li  Li5  1  0.156  0.344  0.750  1.0
  Li  Li6  1  0.000  0.000  0.000  1.0
  Li  Li7  1  0.656  0.250  0.844  1.0
  V  V8  1  0.144  0.144  0.144  1.0
  V  V9  1  0.644  0.644  0.644  1.0
  V  V10  1  0.356  0.356  0.356  1.0
  V  V11  1  0.856  0.856  0.856  1.0
  P  P12  1  0.053  0.750  0.447  1.0
  P  P13  1  0.750  0.447  0.053  1.0
  P  P14  1  0.553  0.947  0.250  1.0
  P  P15  1  0.447  0.053  0.750  1.0
  P  P16  1  0.250  0.553  0.947  1.0
  P  P17  1  0.947  0.250  0.553  1.0
  O  O18  1  0.812  0.606  0.025  1.0
  O  O19  1  0.312  0.525  0.106  1.0
  O  O20  1  0.242  0.599  0.428  1.0
  O  O21  1  0.072  0.901  0.258  1.0
  O  O22  1  0.025  0.812  0.606  1.0
  O  O23  1  0.894  0.688  0.475  1.0
  O  O24  1  0.901  0.258  0.072  1.0
  O  O25  1  0.742  0.928  0.099  1.0
  O  O26  1  0.572  0.758  0.401  1.0
  O  O27  1  0.525  0.106  0.312  1.0
  O  O28  1  0.394  0.975  0.188  1.0
  O  O29  1  0.599  0.428  0.242  1.0
  O  O30  1  0.401  0.572  0.758  1.0
  O  O31  1  0.606  0.025  0.812  1.0
  O  O32  1  0.475  0.894  0.688  1.0
  O  O33  1  0.428  0.242  0.599  1.0
  O  O34  1  0.258  0.072  0.901  1.0
  O  O35  1  0.099  0.742  0.928  1.0
  O  O36  1  0.106  0.312  0.525  1.0
  O  O37  1  0.975  0.188  0.394  1.0
  O  O38  1  0.928  0.099  0.742  1.0
  O  O39  1  0.758  0.401  0.572  1.0
  O  O40  1  0.688  0.475  0.894  1.0
  O  O41  1  0.188  0.394  0.975  1.0
[/CIF]
.
The material described by Li4V2(PO4)3 crystallizes in the trigonal R-3c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded to six equivalent O(2) atoms to form distorted LiO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and faces with two equivalent V(1)O6 octahedra. V(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and  a faceface with one Li(2)O6 octahedra. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent Li(2)O6 octahedra and corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-44°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one V(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Li4V2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.430
_cell_length_b   8.430
_cell_length_c   8.430
_cell_angle_alpha   65.232
_cell_angle_beta   65.232
_cell_angle_gamma   65.232
_symmetry_Int_Tables_number   1
_cell_volume   471.841
_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  0.344  0.750  0.156  1.0
  Li  Li1  1  0.844  0.656  0.250  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  0.750  0.156  0.344  1.0
  Li  Li4  1  0.250  0.844  0.656  1.0
  Li  Li5  1  0.156  0.344  0.750  1.0
  Li  Li6  1  0.000  0.000  0.000  1.0
  Li  Li7  1  0.656  0.250  0.844  1.0
  V  V8  1  0.144  0.144  0.144  1.0
  V  V9  1  0.644  0.644  0.644  1.0
  V  V10  1  0.356  0.356  0.356  1.0
  V  V11  1  0.856  0.856  0.856  1.0
  P  P12  1  0.053  0.750  0.447  1.0
  P  P13  1  0.750  0.447  0.053  1.0
  P  P14  1  0.553  0.947  0.250  1.0
  P  P15  1  0.447  0.053  0.750  1.0
  P  P16  1  0.250  0.553  0.947  1.0
  P  P17  1  0.947  0.250  0.553  1.0
  O  O18  1  0.812  0.606  0.025  1.0
  O  O19  1  0.312  0.525  0.106  1.0
  O  O20  1  0.242  0.599  0.428  1.0
  O  O21  1  0.072  0.901  0.258  1.0
  O  O22  1  0.025  0.812  0.606  1.0
  O  O23  1  0.894  0.688  0.475  1.0
  O  O24  1  0.901  0.258  0.072  1.0
  O  O25  1  0.742  0.928  0.099  1.0
  O  O26  1  0.572  0.758  0.401  1.0
  O  O27  1  0.525  0.106  0.312  1.0
  O  O28  1  0.394  0.975  0.188  1.0
  O  O29  1  0.599  0.428  0.242  1.0
  O  O30  1  0.401  0.572  0.758  1.0
  O  O31  1  0.606  0.025  0.812  1.0
  O  O32  1  0.475  0.894  0.688  1.0
  O  O33  1  0.428  0.242  0.599  1.0
  O  O34  1  0.258  0.072  0.901  1.0
  O  O35  1  0.099  0.742  0.928  1.0
  O  O36  1  0.106  0.312  0.525  1.0
  O  O37  1  0.975  0.188  0.394  1.0
  O  O38  1  0.928  0.099  0.742  1.0
  O  O39  1  0.758  0.401  0.572  1.0
  O  O40  1  0.688  0.475  0.894  1.0
  O  O41  1  0.188  0.394  0.975  1.0
[/CIF]
.