The material structure described by Li3V2(PO4)3 crystallizes in the trigonal R-3 space group. Li(1) is bonded to one O(2), one O(4), and two equivalent O(1) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-68°. There are two inequivalent V sites. In the first V site, 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(1)O4 tetrahedra, corners with six equivalent P(1)O4 tetrahedra, and edges with three equivalent Li(1)O4 tetrahedra. In the second V site, V(2) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form VO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra and corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and corners with four equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-49°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one V(1), and one P(1) atom to form distorted corner-sharing OLi2VP tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one V(2), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3V2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.038
_cell_length_b   9.038
_cell_length_c   9.038
_cell_angle_alpha   55.988
_cell_angle_beta   55.988
_cell_angle_gamma   55.988
_symmetry_Int_Tables_number   1
_cell_volume   473.556
_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  0.080  0.733  0.334  1.0
  Li  Li1  1  0.334  0.080  0.733  1.0
  Li  Li2  1  0.733  0.334  0.080  1.0
  Li  Li3  1  0.267  0.666  0.920  1.0
  Li  Li4  1  0.666  0.920  0.267  1.0
  Li  Li5  1  0.920  0.267  0.666  1.0
  V  V6  1  0.350  0.350  0.350  1.0
  V  V7  1  0.855  0.855  0.855  1.0
  V  V8  1  0.145  0.145  0.145  1.0
  V  V9  1  0.650  0.650  0.650  1.0
  P  P10  1  0.752  0.039  0.458  1.0
  P  P11  1  0.039  0.458  0.752  1.0
  P  P12  1  0.458  0.752  0.039  1.0
  P  P13  1  0.542  0.248  0.961  1.0
  P  P14  1  0.961  0.542  0.248  1.0
  P  P15  1  0.248  0.961  0.542  1.0
  O  O16  1  0.790  0.846  0.456  1.0
  O  O17  1  0.537  0.166  0.494  1.0
  O  O18  1  0.166  0.494  0.537  1.0
  O  O19  1  0.846  0.456  0.790  1.0
  O  O20  1  0.456  0.790  0.846  1.0
  O  O21  1  0.812  0.996  0.609  1.0
  O  O22  1  0.138  0.255  0.875  1.0
  O  O23  1  0.996  0.609  0.812  1.0
  O  O24  1  0.494  0.537  0.166  1.0
  O  O25  1  0.255  0.875  0.138  1.0
  O  O26  1  0.609  0.812  0.996  1.0
  O  O27  1  0.875  0.138  0.255  1.0
  O  O28  1  0.125  0.862  0.745  1.0
  O  O29  1  0.391  0.188  0.004  1.0
  O  O30  1  0.745  0.125  0.862  1.0
  O  O31  1  0.506  0.463  0.834  1.0
  O  O32  1  0.004  0.391  0.188  1.0
  O  O33  1  0.862  0.745  0.125  1.0
  O  O34  1  0.188  0.004  0.391  1.0
  O  O35  1  0.544  0.210  0.154  1.0
  O  O36  1  0.154  0.544  0.210  1.0
  O  O37  1  0.834  0.506  0.463  1.0
  O  O38  1  0.463  0.834  0.506  1.0
  O  O39  1  0.210  0.154  0.544  1.0
[/CIF]
.
The material structure described by Li3V2(PO4)3 crystallizes in the trigonal R-3 space group. Li(1) is bonded to one O(2), one O(4), and two equivalent O(1) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-68°. There are two inequivalent V sites. In the first V site, 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(1)O4 tetrahedra, corners with six equivalent P(1)O4 tetrahedra, and edges with three equivalent Li(1)O4 tetrahedra. In the second V site, V(2) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form VO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra and corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and corners with four equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-49°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one V(1), and one P(1) atom to form distorted corner-sharing OLi2VP tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one V(2), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3V2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.038
_cell_length_b   9.038
_cell_length_c   9.038
_cell_angle_alpha   55.988
_cell_angle_beta   55.988
_cell_angle_gamma   55.988
_symmetry_Int_Tables_number   1
_cell_volume   473.556
_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  0.080  0.733  0.334  1.0
  Li  Li1  1  0.334  0.080  0.733  1.0
  Li  Li2  1  0.733  0.334  0.080  1.0
  Li  Li3  1  0.267  0.666  0.920  1.0
  Li  Li4  1  0.666  0.920  0.267  1.0
  Li  Li5  1  0.920  0.267  0.666  1.0
  V  V6  1  0.350  0.350  0.350  1.0
  V  V7  1  0.855  0.855  0.855  1.0
  V  V8  1  0.145  0.145  0.145  1.0
  V  V9  1  0.650  0.650  0.650  1.0
  P  P10  1  0.752  0.039  0.458  1.0
  P  P11  1  0.039  0.458  0.752  1.0
  P  P12  1  0.458  0.752  0.039  1.0
  P  P13  1  0.542  0.248  0.961  1.0
  P  P14  1  0.961  0.542  0.248  1.0
  P  P15  1  0.248  0.961  0.542  1.0
  O  O16  1  0.790  0.846  0.456  1.0
  O  O17  1  0.537  0.166  0.494  1.0
  O  O18  1  0.166  0.494  0.537  1.0
  O  O19  1  0.846  0.456  0.790  1.0
  O  O20  1  0.456  0.790  0.846  1.0
  O  O21  1  0.812  0.996  0.609  1.0
  O  O22  1  0.138  0.255  0.875  1.0
  O  O23  1  0.996  0.609  0.812  1.0
  O  O24  1  0.494  0.537  0.166  1.0
  O  O25  1  0.255  0.875  0.138  1.0
  O  O26  1  0.609  0.812  0.996  1.0
  O  O27  1  0.875  0.138  0.255  1.0
  O  O28  1  0.125  0.862  0.745  1.0
  O  O29  1  0.391  0.188  0.004  1.0
  O  O30  1  0.745  0.125  0.862  1.0
  O  O31  1  0.506  0.463  0.834  1.0
  O  O32  1  0.004  0.391  0.188  1.0
  O  O33  1  0.862  0.745  0.125  1.0
  O  O34  1  0.188  0.004  0.391  1.0
  O  O35  1  0.544  0.210  0.154  1.0
  O  O36  1  0.154  0.544  0.210  1.0
  O  O37  1  0.834  0.506  0.463  1.0
  O  O38  1  0.463  0.834  0.506  1.0
  O  O39  1  0.210  0.154  0.544  1.0
[/CIF]
.