The structure described by Li3V2(PO4)3 crystallizes in the monoclinic C2/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent O(5) and four equivalent O(4) atoms. In the third Li site, Li(3) is bonded in a square co-planar geometry to four equivalent O(2) atoms. V(1) is bonded to one O(1), one O(2), one O(5), one O(6), and two equivalent O(3) atoms to form VO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one V(1)O6 octahedra. There are two inequivalent P sites. In the first P site, 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 four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-60°. In the second P site, P(2) is bonded to two equivalent O(5) and two equivalent O(6) atoms to form PO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-55°. 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(1) atom. In the second O site, O(2) is bonded to two equivalent Li(3), one V(1), and one P(1) atom to form a mixture of distorted edge and corner-sharing OLi2VP trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent V(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Li(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(2), one V(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(1), and one P(2) atom. is represented by the CIF card [CIF]
data_Li3V2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.604
_cell_length_b   8.604
_cell_length_c   6.386
_cell_angle_alpha   74.026
_cell_angle_beta   74.026
_cell_angle_gamma   93.773
_symmetry_Int_Tables_number   1
_cell_volume   431.825
_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  0.286  0.714  0.250  1.0
  Li  Li1  1  0.714  0.286  0.750  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  0.991  0.009  0.250  1.0
  Li  Li4  1  0.009  0.991  0.750  1.0
  Li  Li5  1  0.500  0.500  0.000  1.0
  V  V6  1  0.380  0.057  0.357  1.0
  V  V7  1  0.943  0.620  0.143  1.0
  V  V8  1  0.620  0.943  0.643  1.0
  V  V9  1  0.057  0.380  0.857  1.0
  P  P10  1  0.863  0.661  0.637  1.0
  P  P11  1  0.284  0.716  0.750  1.0
  P  P12  1  0.339  0.137  0.863  1.0
  P  P13  1  0.661  0.863  0.137  1.0
  P  P14  1  0.137  0.339  0.363  1.0
  P  P15  1  0.716  0.284  0.250  1.0
  O  O16  1  0.659  0.988  0.911  1.0
  O  O17  1  0.012  0.341  0.589  1.0
  O  O18  1  0.842  0.845  0.610  1.0
  O  O19  1  0.845  0.843  0.110  1.0
  O  O20  1  0.600  0.949  0.329  1.0
  O  O21  1  0.296  0.455  0.297  1.0
  O  O22  1  0.461  0.738  0.767  1.0
  O  O23  1  0.539  0.262  0.233  1.0
  O  O24  1  0.949  0.600  0.829  1.0
  O  O25  1  0.051  0.400  0.171  1.0
  O  O26  1  0.400  0.051  0.671  1.0
  O  O27  1  0.155  0.158  0.890  1.0
  O  O28  1  0.256  0.830  0.533  1.0
  O  O29  1  0.744  0.170  0.467  1.0
  O  O30  1  0.545  0.704  0.203  1.0
  O  O31  1  0.158  0.155  0.390  1.0
  O  O32  1  0.704  0.545  0.703  1.0
  O  O33  1  0.170  0.744  0.967  1.0
  O  O34  1  0.738  0.461  0.267  1.0
  O  O35  1  0.988  0.659  0.411  1.0
  O  O36  1  0.455  0.296  0.797  1.0
  O  O37  1  0.830  0.256  0.033  1.0
  O  O38  1  0.341  0.012  0.089  1.0
  O  O39  1  0.262  0.539  0.733  1.0
[/CIF]
.
The structure described by Li3V2(PO4)3 crystallizes in the monoclinic C2/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent O(5) and four equivalent O(4) atoms. In the third Li site, Li(3) is bonded in a square co-planar geometry to four equivalent O(2) atoms. V(1) is bonded to one O(1), one O(2), one O(5), one O(6), and two equivalent O(3) atoms to form VO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one V(1)O6 octahedra. There are two inequivalent P sites. In the first P site, 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 four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-60°. In the second P site, P(2) is bonded to two equivalent O(5) and two equivalent O(6) atoms to form PO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-55°. 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(1) atom. In the second O site, O(2) is bonded to two equivalent Li(3), one V(1), and one P(1) atom to form a mixture of distorted edge and corner-sharing OLi2VP trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent V(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Li(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(2), one V(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(1), and one P(2) atom. is represented by the CIF card [CIF]
data_Li3V2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.604
_cell_length_b   8.604
_cell_length_c   6.386
_cell_angle_alpha   74.026
_cell_angle_beta   74.026
_cell_angle_gamma   93.773
_symmetry_Int_Tables_number   1
_cell_volume   431.825
_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  0.286  0.714  0.250  1.0
  Li  Li1  1  0.714  0.286  0.750  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  0.991  0.009  0.250  1.0
  Li  Li4  1  0.009  0.991  0.750  1.0
  Li  Li5  1  0.500  0.500  0.000  1.0
  V  V6  1  0.380  0.057  0.357  1.0
  V  V7  1  0.943  0.620  0.143  1.0
  V  V8  1  0.620  0.943  0.643  1.0
  V  V9  1  0.057  0.380  0.857  1.0
  P  P10  1  0.863  0.661  0.637  1.0
  P  P11  1  0.284  0.716  0.750  1.0
  P  P12  1  0.339  0.137  0.863  1.0
  P  P13  1  0.661  0.863  0.137  1.0
  P  P14  1  0.137  0.339  0.363  1.0
  P  P15  1  0.716  0.284  0.250  1.0
  O  O16  1  0.659  0.988  0.911  1.0
  O  O17  1  0.012  0.341  0.589  1.0
  O  O18  1  0.842  0.845  0.610  1.0
  O  O19  1  0.845  0.843  0.110  1.0
  O  O20  1  0.600  0.949  0.329  1.0
  O  O21  1  0.296  0.455  0.297  1.0
  O  O22  1  0.461  0.738  0.767  1.0
  O  O23  1  0.539  0.262  0.233  1.0
  O  O24  1  0.949  0.600  0.829  1.0
  O  O25  1  0.051  0.400  0.171  1.0
  O  O26  1  0.400  0.051  0.671  1.0
  O  O27  1  0.155  0.158  0.890  1.0
  O  O28  1  0.256  0.830  0.533  1.0
  O  O29  1  0.744  0.170  0.467  1.0
  O  O30  1  0.545  0.704  0.203  1.0
  O  O31  1  0.158  0.155  0.390  1.0
  O  O32  1  0.704  0.545  0.703  1.0
  O  O33  1  0.170  0.744  0.967  1.0
  O  O34  1  0.738  0.461  0.267  1.0
  O  O35  1  0.988  0.659  0.411  1.0
  O  O36  1  0.455  0.296  0.797  1.0
  O  O37  1  0.830  0.256  0.033  1.0
  O  O38  1  0.341  0.012  0.089  1.0
  O  O39  1  0.262  0.539  0.733  1.0
[/CIF]
.