The structure described by Li3V3(PO4)4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(5), one O(6), and one O(8) atom to form LiO5 trigonal bipyramids that share corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one V(1)O6 octahedra. In the second Li site, Li(2) is bonded in a square co-planar geometry to two equivalent O(4) and two equivalent O(8) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with two equivalent Li(1)O5 trigonal bipyramids. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and corners with three equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 31-50°. In the second P site, P(2) is bonded to one O(1), one O(4), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra and corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 47°. There are eight inequivalent O sites. In the first O site, O(8) is bonded to one Li(1), one Li(2), one V(2), and one P(2) atom to form distorted corner-sharing OLi2VP tetrahedra. In the second O site, O(1) is bonded in a distorted bent 150 degrees geometry to one V(2) and one P(2) atom. In the third 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 fourth O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(1) atom. In the fifth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one V(2), and one P(2) atom. In the sixth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one P(1) atom. In the seventh O site, O(6) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one P(2) atom. In the eighth O site, O(7) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3V3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.983
_cell_length_b   8.230
_cell_length_c   15.533
_cell_angle_alpha   67.951
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   590.407
_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  0.522  0.298  0.878  1.0
  Li  Li1  1  0.022  0.702  0.622  1.0
  Li  Li2  1  0.978  0.298  0.378  1.0
  Li  Li3  1  0.478  0.702  0.122  1.0
  Li  Li4  1  0.000  0.000  0.000  1.0
  Li  Li5  1  0.500  0.000  0.500  1.0
  V  V6  1  0.000  0.500  0.500  1.0
  V  V7  1  0.927  0.822  0.208  1.0
  V  V8  1  0.427  0.178  0.292  1.0
  V  V9  1  0.573  0.822  0.708  1.0
  V  V10  1  0.500  0.500  0.000  1.0
  V  V11  1  0.073  0.178  0.792  1.0
  P  P12  1  0.505  0.527  0.350  1.0
  P  P13  1  0.495  0.473  0.650  1.0
  P  P14  1  0.995  0.527  0.850  1.0
  P  P15  1  0.511  0.927  0.893  1.0
  P  P16  1  0.011  0.073  0.607  1.0
  P  P17  1  0.489  0.073  0.107  1.0
  P  P18  1  0.989  0.927  0.393  1.0
  P  P19  1  0.005  0.473  0.150  1.0
  O  O20  1  0.428  0.908  0.801  1.0
  O  O21  1  0.082  0.654  0.158  1.0
  O  O22  1  0.202  0.523  0.372  1.0
  O  O23  1  0.582  0.346  0.342  1.0
  O  O24  1  0.204  0.000  0.112  1.0
  O  O25  1  0.918  0.346  0.842  1.0
  O  O26  1  0.796  1.000  0.888  1.0
  O  O27  1  0.583  0.678  0.257  1.0
  O  O28  1  0.468  0.758  0.979  1.0
  O  O29  1  0.327  0.452  0.573  1.0
  O  O30  1  0.704  1.000  0.388  1.0
  O  O31  1  0.673  0.548  0.427  1.0
  O  O32  1  0.072  0.908  0.301  1.0
  O  O33  1  0.572  0.092  0.199  1.0
  O  O34  1  0.296  0.000  0.612  1.0
  O  O35  1  0.083  0.322  0.243  1.0
  O  O36  1  0.173  0.452  0.073  1.0
  O  O37  1  0.298  0.523  0.872  1.0
  O  O38  1  0.917  0.678  0.757  1.0
  O  O39  1  0.968  0.242  0.521  1.0
  O  O40  1  0.827  0.548  0.927  1.0
  O  O41  1  0.532  0.242  0.021  1.0
  O  O42  1  0.928  0.092  0.699  1.0
  O  O43  1  0.694  0.935  0.097  1.0
  O  O44  1  0.418  0.654  0.658  1.0
  O  O45  1  0.306  0.065  0.903  1.0
  O  O46  1  0.798  0.477  0.628  1.0
  O  O47  1  0.417  0.322  0.743  1.0
  O  O48  1  0.702  0.477  0.128  1.0
  O  O49  1  0.032  0.758  0.479  1.0
  O  O50  1  0.194  0.065  0.403  1.0
  O  O51  1  0.806  0.935  0.597  1.0
[/CIF]
.
The structure described by Li3V3(PO4)4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(5), one O(6), and one O(8) atom to form LiO5 trigonal bipyramids that share corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one V(1)O6 octahedra. In the second Li site, Li(2) is bonded in a square co-planar geometry to two equivalent O(4) and two equivalent O(8) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with two equivalent Li(1)O5 trigonal bipyramids. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and corners with three equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 31-50°. In the second P site, P(2) is bonded to one O(1), one O(4), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra and corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 47°. There are eight inequivalent O sites. In the first O site, O(8) is bonded to one Li(1), one Li(2), one V(2), and one P(2) atom to form distorted corner-sharing OLi2VP tetrahedra. In the second O site, O(1) is bonded in a distorted bent 150 degrees geometry to one V(2) and one P(2) atom. In the third 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 fourth O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(1) atom. In the fifth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one V(2), and one P(2) atom. In the sixth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one P(1) atom. In the seventh O site, O(6) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one P(2) atom. In the eighth O site, O(7) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3V3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.983
_cell_length_b   8.230
_cell_length_c   15.533
_cell_angle_alpha   67.951
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   590.407
_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  0.522  0.298  0.878  1.0
  Li  Li1  1  0.022  0.702  0.622  1.0
  Li  Li2  1  0.978  0.298  0.378  1.0
  Li  Li3  1  0.478  0.702  0.122  1.0
  Li  Li4  1  0.000  0.000  0.000  1.0
  Li  Li5  1  0.500  0.000  0.500  1.0
  V  V6  1  0.000  0.500  0.500  1.0
  V  V7  1  0.927  0.822  0.208  1.0
  V  V8  1  0.427  0.178  0.292  1.0
  V  V9  1  0.573  0.822  0.708  1.0
  V  V10  1  0.500  0.500  0.000  1.0
  V  V11  1  0.073  0.178  0.792  1.0
  P  P12  1  0.505  0.527  0.350  1.0
  P  P13  1  0.495  0.473  0.650  1.0
  P  P14  1  0.995  0.527  0.850  1.0
  P  P15  1  0.511  0.927  0.893  1.0
  P  P16  1  0.011  0.073  0.607  1.0
  P  P17  1  0.489  0.073  0.107  1.0
  P  P18  1  0.989  0.927  0.393  1.0
  P  P19  1  0.005  0.473  0.150  1.0
  O  O20  1  0.428  0.908  0.801  1.0
  O  O21  1  0.082  0.654  0.158  1.0
  O  O22  1  0.202  0.523  0.372  1.0
  O  O23  1  0.582  0.346  0.342  1.0
  O  O24  1  0.204  0.000  0.112  1.0
  O  O25  1  0.918  0.346  0.842  1.0
  O  O26  1  0.796  1.000  0.888  1.0
  O  O27  1  0.583  0.678  0.257  1.0
  O  O28  1  0.468  0.758  0.979  1.0
  O  O29  1  0.327  0.452  0.573  1.0
  O  O30  1  0.704  1.000  0.388  1.0
  O  O31  1  0.673  0.548  0.427  1.0
  O  O32  1  0.072  0.908  0.301  1.0
  O  O33  1  0.572  0.092  0.199  1.0
  O  O34  1  0.296  0.000  0.612  1.0
  O  O35  1  0.083  0.322  0.243  1.0
  O  O36  1  0.173  0.452  0.073  1.0
  O  O37  1  0.298  0.523  0.872  1.0
  O  O38  1  0.917  0.678  0.757  1.0
  O  O39  1  0.968  0.242  0.521  1.0
  O  O40  1  0.827  0.548  0.927  1.0
  O  O41  1  0.532  0.242  0.021  1.0
  O  O42  1  0.928  0.092  0.699  1.0
  O  O43  1  0.694  0.935  0.097  1.0
  O  O44  1  0.418  0.654  0.658  1.0
  O  O45  1  0.306  0.065  0.903  1.0
  O  O46  1  0.798  0.477  0.628  1.0
  O  O47  1  0.417  0.322  0.743  1.0
  O  O48  1  0.702  0.477  0.128  1.0
  O  O49  1  0.032  0.758  0.479  1.0
  O  O50  1  0.194  0.065  0.403  1.0
  O  O51  1  0.806  0.935  0.597  1.0
[/CIF]
.