The material described by Li3V2(PO4)3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(6) atom. In the second Li site, Li(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form distorted LiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent V(1)O6 octahedra. V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and  a faceface with one Li(2)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom 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 13-48°. In the second P site, P(2) is bonded to two equivalent O(1) and two equivalent O(6) 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 29-47°. There are six 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(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one V(1), and one P(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a linear geometry to one V(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one V(1), and one P(2) 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   8.442
_cell_length_b   8.442
_cell_length_c   8.602
_cell_angle_alpha   61.921
_cell_angle_beta   61.921
_cell_angle_gamma   63.298
_symmetry_Int_Tables_number   1
_cell_volume   456.313
_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  0.764  0.840  0.641  1.0
  Li  Li1  1  0.840  0.764  0.141  1.0
  Li  Li2  1  0.000  0.500  0.500  1.0
  Li  Li3  1  0.160  0.236  0.859  1.0
  Li  Li4  1  0.500  0.000  0.000  1.0
  Li  Li5  1  0.236  0.160  0.359  1.0
  V  V6  1  0.365  0.857  0.852  1.0
  V  V7  1  0.857  0.365  0.352  1.0
  V  V8  1  0.143  0.635  0.648  1.0
  V  V9  1  0.635  0.143  0.148  1.0
  P  P10  1  0.745  0.554  0.966  1.0
  P  P11  1  0.044  0.956  0.250  1.0
  P  P12  1  0.554  0.745  0.466  1.0
  P  P13  1  0.446  0.255  0.534  1.0
  P  P14  1  0.956  0.044  0.750  1.0
  P  P15  1  0.255  0.446  0.034  1.0
  O  O16  1  0.876  0.984  0.202  1.0
  O  O17  1  0.984  0.876  0.702  1.0
  O  O18  1  0.902  0.560  0.770  1.0
  O  O19  1  0.594  0.749  0.929  1.0
  O  O20  1  0.813  0.545  0.110  1.0
  O  O21  1  0.681  0.385  0.031  1.0
  O  O22  1  0.229  0.946  0.081  1.0
  O  O23  1  0.560  0.902  0.270  1.0
  O  O24  1  0.749  0.594  0.429  1.0
  O  O25  1  0.545  0.813  0.610  1.0
  O  O26  1  0.385  0.681  0.531  1.0
  O  O27  1  0.946  0.229  0.581  1.0
  O  O28  1  0.054  0.771  0.419  1.0
  O  O29  1  0.615  0.319  0.469  1.0
  O  O30  1  0.455  0.187  0.390  1.0
  O  O31  1  0.251  0.406  0.571  1.0
  O  O32  1  0.440  0.098  0.730  1.0
  O  O33  1  0.771  0.054  0.919  1.0
  O  O34  1  0.319  0.615  0.969  1.0
  O  O35  1  0.187  0.455  0.890  1.0
  O  O36  1  0.406  0.251  0.071  1.0
  O  O37  1  0.098  0.440  0.230  1.0
  O  O38  1  0.016  0.124  0.298  1.0
  O  O39  1  0.124  0.016  0.798  1.0
[/CIF]
.
The material described by Li3V2(PO4)3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(6) atom. In the second Li site, Li(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form distorted LiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent V(1)O6 octahedra. V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and  a faceface with one Li(2)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom 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 13-48°. In the second P site, P(2) is bonded to two equivalent O(1) and two equivalent O(6) 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 29-47°. There are six 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(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one V(1), and one P(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a linear geometry to one V(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one V(1), and one P(2) 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   8.442
_cell_length_b   8.442
_cell_length_c   8.602
_cell_angle_alpha   61.921
_cell_angle_beta   61.921
_cell_angle_gamma   63.298
_symmetry_Int_Tables_number   1
_cell_volume   456.313
_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  0.764  0.840  0.641  1.0
  Li  Li1  1  0.840  0.764  0.141  1.0
  Li  Li2  1  0.000  0.500  0.500  1.0
  Li  Li3  1  0.160  0.236  0.859  1.0
  Li  Li4  1  0.500  0.000  0.000  1.0
  Li  Li5  1  0.236  0.160  0.359  1.0
  V  V6  1  0.365  0.857  0.852  1.0
  V  V7  1  0.857  0.365  0.352  1.0
  V  V8  1  0.143  0.635  0.648  1.0
  V  V9  1  0.635  0.143  0.148  1.0
  P  P10  1  0.745  0.554  0.966  1.0
  P  P11  1  0.044  0.956  0.250  1.0
  P  P12  1  0.554  0.745  0.466  1.0
  P  P13  1  0.446  0.255  0.534  1.0
  P  P14  1  0.956  0.044  0.750  1.0
  P  P15  1  0.255  0.446  0.034  1.0
  O  O16  1  0.876  0.984  0.202  1.0
  O  O17  1  0.984  0.876  0.702  1.0
  O  O18  1  0.902  0.560  0.770  1.0
  O  O19  1  0.594  0.749  0.929  1.0
  O  O20  1  0.813  0.545  0.110  1.0
  O  O21  1  0.681  0.385  0.031  1.0
  O  O22  1  0.229  0.946  0.081  1.0
  O  O23  1  0.560  0.902  0.270  1.0
  O  O24  1  0.749  0.594  0.429  1.0
  O  O25  1  0.545  0.813  0.610  1.0
  O  O26  1  0.385  0.681  0.531  1.0
  O  O27  1  0.946  0.229  0.581  1.0
  O  O28  1  0.054  0.771  0.419  1.0
  O  O29  1  0.615  0.319  0.469  1.0
  O  O30  1  0.455  0.187  0.390  1.0
  O  O31  1  0.251  0.406  0.571  1.0
  O  O32  1  0.440  0.098  0.730  1.0
  O  O33  1  0.771  0.054  0.919  1.0
  O  O34  1  0.319  0.615  0.969  1.0
  O  O35  1  0.187  0.455  0.890  1.0
  O  O36  1  0.406  0.251  0.071  1.0
  O  O37  1  0.098  0.440  0.230  1.0
  O  O38  1  0.016  0.124  0.298  1.0
  O  O39  1  0.124  0.016  0.798  1.0
[/CIF]
.