The structure described by Li3V3(PO4)4 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 4-coordinate geometry to one O(4), one O(5), and two equivalent O(1) atoms. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(3) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-59°. In the second V site, V(2) is bonded to two equivalent O(4), two equivalent O(7), and two equivalent O(8) atoms to form VO6 octahedra that share corners with four equivalent V(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with four equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-59°. 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  a cornercorner with one V(2)O6 octahedra and corners with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-53°. In the second P site, P(2) is bonded to one O(5), one O(6), 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, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(2), one V(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one V(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to 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 V(1), one V(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one P(2) 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   10.109
_cell_length_b   10.109
_cell_length_c   10.601
_cell_angle_alpha   88.472
_cell_angle_beta   88.472
_cell_angle_gamma   37.272
_symmetry_Int_Tables_number   1
_cell_volume   655.886
_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  0.974  0.162  0.949  1.0
  Li  Li1  1  0.162  0.974  0.449  1.0
  Li  Li2  1  0.838  0.026  0.551  1.0
  Li  Li3  1  0.026  0.838  0.051  1.0
  Li  Li4  1  0.475  0.525  0.750  1.0
  Li  Li5  1  0.525  0.475  0.250  1.0
  V  V6  1  0.671  0.641  0.757  1.0
  V  V7  1  0.641  0.671  0.257  1.0
  V  V8  1  0.000  0.500  0.500  1.0
  V  V9  1  0.500  0.000  0.000  1.0
  V  V10  1  0.359  0.329  0.743  1.0
  V  V11  1  0.329  0.359  0.243  1.0
  P  P12  1  0.419  0.745  0.003  1.0
  P  P13  1  0.745  0.419  0.503  1.0
  P  P14  1  0.217  0.181  0.748  1.0
  P  P15  1  0.181  0.217  0.248  1.0
  P  P16  1  0.819  0.783  0.752  1.0
  P  P17  1  0.783  0.819  0.252  1.0
  P  P18  1  0.255  0.581  0.497  1.0
  P  P19  1  0.581  0.255  0.997  1.0
  O  O20  1  0.215  0.825  0.984  1.0
  O  O21  1  0.825  0.215  0.484  1.0
  O  O22  1  0.623  0.534  0.632  1.0
  O  O23  1  0.587  0.584  0.893  1.0
  O  O24  1  0.534  0.623  0.132  1.0
  O  O25  1  0.584  0.587  0.393  1.0
  O  O26  1  0.351  0.947  0.998  1.0
  O  O27  1  0.947  0.351  0.498  1.0
  O  O28  1  0.988  0.317  0.787  1.0
  O  O29  1  0.366  0.945  0.722  1.0
  O  O30  1  0.317  0.988  0.287  1.0
  O  O31  1  0.945  0.366  0.222  1.0
  O  O32  1  0.720  0.773  0.864  1.0
  O  O33  1  0.800  0.687  0.647  1.0
  O  O34  1  0.773  0.720  0.364  1.0
  O  O35  1  0.687  0.800  0.147  1.0
  O  O36  1  0.313  0.200  0.853  1.0
  O  O37  1  0.227  0.280  0.636  1.0
  O  O38  1  0.200  0.313  0.353  1.0
  O  O39  1  0.280  0.227  0.136  1.0
  O  O40  1  0.055  0.634  0.778  1.0
  O  O41  1  0.683  0.012  0.713  1.0
  O  O42  1  0.634  0.055  0.278  1.0
  O  O43  1  0.012  0.683  0.213  1.0
  O  O44  1  0.053  0.649  0.502  1.0
  O  O45  1  0.649  0.053  0.002  1.0
  O  O46  1  0.416  0.413  0.607  1.0
  O  O47  1  0.466  0.377  0.868  1.0
  O  O48  1  0.413  0.416  0.107  1.0
  O  O49  1  0.377  0.466  0.368  1.0
  O  O50  1  0.175  0.785  0.516  1.0
  O  O51  1  0.785  0.175  0.016  1.0
[/CIF]
.
The structure described by Li3V3(PO4)4 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 4-coordinate geometry to one O(4), one O(5), and two equivalent O(1) atoms. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(3) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-59°. In the second V site, V(2) is bonded to two equivalent O(4), two equivalent O(7), and two equivalent O(8) atoms to form VO6 octahedra that share corners with four equivalent V(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with four equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-59°. 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  a cornercorner with one V(2)O6 octahedra and corners with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-53°. In the second P site, P(2) is bonded to one O(5), one O(6), 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, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(2), one V(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one V(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to 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 V(1), one V(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one P(2) 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   10.109
_cell_length_b   10.109
_cell_length_c   10.601
_cell_angle_alpha   88.472
_cell_angle_beta   88.472
_cell_angle_gamma   37.272
_symmetry_Int_Tables_number   1
_cell_volume   655.886
_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  0.974  0.162  0.949  1.0
  Li  Li1  1  0.162  0.974  0.449  1.0
  Li  Li2  1  0.838  0.026  0.551  1.0
  Li  Li3  1  0.026  0.838  0.051  1.0
  Li  Li4  1  0.475  0.525  0.750  1.0
  Li  Li5  1  0.525  0.475  0.250  1.0
  V  V6  1  0.671  0.641  0.757  1.0
  V  V7  1  0.641  0.671  0.257  1.0
  V  V8  1  0.000  0.500  0.500  1.0
  V  V9  1  0.500  0.000  0.000  1.0
  V  V10  1  0.359  0.329  0.743  1.0
  V  V11  1  0.329  0.359  0.243  1.0
  P  P12  1  0.419  0.745  0.003  1.0
  P  P13  1  0.745  0.419  0.503  1.0
  P  P14  1  0.217  0.181  0.748  1.0
  P  P15  1  0.181  0.217  0.248  1.0
  P  P16  1  0.819  0.783  0.752  1.0
  P  P17  1  0.783  0.819  0.252  1.0
  P  P18  1  0.255  0.581  0.497  1.0
  P  P19  1  0.581  0.255  0.997  1.0
  O  O20  1  0.215  0.825  0.984  1.0
  O  O21  1  0.825  0.215  0.484  1.0
  O  O22  1  0.623  0.534  0.632  1.0
  O  O23  1  0.587  0.584  0.893  1.0
  O  O24  1  0.534  0.623  0.132  1.0
  O  O25  1  0.584  0.587  0.393  1.0
  O  O26  1  0.351  0.947  0.998  1.0
  O  O27  1  0.947  0.351  0.498  1.0
  O  O28  1  0.988  0.317  0.787  1.0
  O  O29  1  0.366  0.945  0.722  1.0
  O  O30  1  0.317  0.988  0.287  1.0
  O  O31  1  0.945  0.366  0.222  1.0
  O  O32  1  0.720  0.773  0.864  1.0
  O  O33  1  0.800  0.687  0.647  1.0
  O  O34  1  0.773  0.720  0.364  1.0
  O  O35  1  0.687  0.800  0.147  1.0
  O  O36  1  0.313  0.200  0.853  1.0
  O  O37  1  0.227  0.280  0.636  1.0
  O  O38  1  0.200  0.313  0.353  1.0
  O  O39  1  0.280  0.227  0.136  1.0
  O  O40  1  0.055  0.634  0.778  1.0
  O  O41  1  0.683  0.012  0.713  1.0
  O  O42  1  0.634  0.055  0.278  1.0
  O  O43  1  0.012  0.683  0.213  1.0
  O  O44  1  0.053  0.649  0.502  1.0
  O  O45  1  0.649  0.053  0.002  1.0
  O  O46  1  0.416  0.413  0.607  1.0
  O  O47  1  0.466  0.377  0.868  1.0
  O  O48  1  0.413  0.416  0.107  1.0
  O  O49  1  0.377  0.466  0.368  1.0
  O  O50  1  0.175  0.785  0.516  1.0
  O  O51  1  0.785  0.175  0.016  1.0
[/CIF]
.