The compound described by Li2V2(PO4)3 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(4), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 65-67°. In the second Li site, Li(2) is bonded to one O(11), one O(4), one O(6), and one O(9) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-69°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(4), one O(6), one O(7), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the second V site, V(2) is bonded to one O(10), one O(11), one O(12), one O(2), one O(3), and one O(5) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. There are three 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(9) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 30-45°. In the second P site, P(2) is bonded to one O(12), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, and corners with two equivalent Li(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 21-51°. In the third P site, P(3) is bonded to one O(10), one O(11), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 20-46°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), 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 distorted tetrahedral geometry to one Li(1), one Li(2), one V(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one V(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(2), one V(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(2) and one P(3) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Li(2), one V(2), and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. is represented by the CIF card [CIF]
data_Li2V2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.303
_cell_length_b   8.453
_cell_length_c   8.946
_cell_angle_alpha   91.191
_cell_angle_beta   117.266
_cell_angle_gamma   119.214
_symmetry_Int_Tables_number   1
_cell_volume   462.313
_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  0.058  0.732  0.143  1.0
  Li  Li1  1  0.813  0.075  0.140  1.0
  Li  Li2  1  0.187  0.925  0.860  1.0
  Li  Li3  1  0.942  0.268  0.857  1.0
  V  V4  1  0.699  0.353  0.056  1.0
  V  V5  1  0.292  0.153  0.436  1.0
  V  V6  1  0.708  0.847  0.564  1.0
  V  V7  1  0.301  0.647  0.944  1.0
  P  P8  1  0.789  0.753  0.253  1.0
  P  P9  1  0.499  0.034  0.253  1.0
  P  P10  1  0.213  0.459  0.244  1.0
  P  P11  1  0.787  0.541  0.756  1.0
  P  P12  1  0.501  0.966  0.747  1.0
  P  P13  1  0.211  0.247  0.747  1.0
  O  O14  1  0.716  0.545  0.206  1.0
  O  O15  1  0.010  0.889  0.269  1.0
  O  O16  1  0.817  0.810  0.434  1.0
  O  O17  1  0.300  0.848  0.091  1.0
  O  O18  1  0.390  0.124  0.290  1.0
  O  O19  1  0.660  0.167  0.202  1.0
  O  O20  1  0.031  0.493  0.204  1.0
  O  O21  1  0.236  0.457  0.082  1.0
  O  O22  1  0.626  0.795  0.114  1.0
  O  O23  1  0.573  0.388  0.587  1.0
  O  O24  1  0.862  0.743  0.734  1.0
  O  O25  1  0.382  0.009  0.582  1.0
  O  O26  1  0.618  0.991  0.418  1.0
  O  O27  1  0.138  0.257  0.266  1.0
  O  O28  1  0.427  0.612  0.413  1.0
  O  O29  1  0.374  0.205  0.886  1.0
  O  O30  1  0.764  0.543  0.918  1.0
  O  O31  1  0.969  0.507  0.796  1.0
  O  O32  1  0.340  0.833  0.798  1.0
  O  O33  1  0.610  0.876  0.710  1.0
  O  O34  1  0.700  0.152  0.909  1.0
  O  O35  1  0.183  0.190  0.566  1.0
  O  O36  1  0.990  0.111  0.731  1.0
  O  O37  1  0.284  0.455  0.794  1.0
[/CIF]
.
The compound described by Li2V2(PO4)3 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(4), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 65-67°. In the second Li site, Li(2) is bonded to one O(11), one O(4), one O(6), and one O(9) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-69°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(4), one O(6), one O(7), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the second V site, V(2) is bonded to one O(10), one O(11), one O(12), one O(2), one O(3), and one O(5) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. There are three 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(9) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 30-45°. In the second P site, P(2) is bonded to one O(12), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, and corners with two equivalent Li(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 21-51°. In the third P site, P(3) is bonded to one O(10), one O(11), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 20-46°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), 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 distorted tetrahedral geometry to one Li(1), one Li(2), one V(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one V(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(2), one V(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(2) and one P(3) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Li(2), one V(2), and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. is represented by the CIF card [CIF]
data_Li2V2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.303
_cell_length_b   8.453
_cell_length_c   8.946
_cell_angle_alpha   91.191
_cell_angle_beta   117.266
_cell_angle_gamma   119.214
_symmetry_Int_Tables_number   1
_cell_volume   462.313
_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  0.058  0.732  0.143  1.0
  Li  Li1  1  0.813  0.075  0.140  1.0
  Li  Li2  1  0.187  0.925  0.860  1.0
  Li  Li3  1  0.942  0.268  0.857  1.0
  V  V4  1  0.699  0.353  0.056  1.0
  V  V5  1  0.292  0.153  0.436  1.0
  V  V6  1  0.708  0.847  0.564  1.0
  V  V7  1  0.301  0.647  0.944  1.0
  P  P8  1  0.789  0.753  0.253  1.0
  P  P9  1  0.499  0.034  0.253  1.0
  P  P10  1  0.213  0.459  0.244  1.0
  P  P11  1  0.787  0.541  0.756  1.0
  P  P12  1  0.501  0.966  0.747  1.0
  P  P13  1  0.211  0.247  0.747  1.0
  O  O14  1  0.716  0.545  0.206  1.0
  O  O15  1  0.010  0.889  0.269  1.0
  O  O16  1  0.817  0.810  0.434  1.0
  O  O17  1  0.300  0.848  0.091  1.0
  O  O18  1  0.390  0.124  0.290  1.0
  O  O19  1  0.660  0.167  0.202  1.0
  O  O20  1  0.031  0.493  0.204  1.0
  O  O21  1  0.236  0.457  0.082  1.0
  O  O22  1  0.626  0.795  0.114  1.0
  O  O23  1  0.573  0.388  0.587  1.0
  O  O24  1  0.862  0.743  0.734  1.0
  O  O25  1  0.382  0.009  0.582  1.0
  O  O26  1  0.618  0.991  0.418  1.0
  O  O27  1  0.138  0.257  0.266  1.0
  O  O28  1  0.427  0.612  0.413  1.0
  O  O29  1  0.374  0.205  0.886  1.0
  O  O30  1  0.764  0.543  0.918  1.0
  O  O31  1  0.969  0.507  0.796  1.0
  O  O32  1  0.340  0.833  0.798  1.0
  O  O33  1  0.610  0.876  0.710  1.0
  O  O34  1  0.700  0.152  0.909  1.0
  O  O35  1  0.183  0.190  0.566  1.0
  O  O36  1  0.990  0.111  0.731  1.0
  O  O37  1  0.284  0.455  0.794  1.0
[/CIF]
.