The crystal structure described by LiV3P3O13 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded to one O(9), two equivalent O(4), and two equivalent O(8) atoms to form distorted LiO5 square pyramids that share corners with two equivalent V(3)O6 octahedra, corners with three equivalent V(1)O6 octahedra, corners with three equivalent P(3)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-62°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(5), one O(6), one O(9), and two equivalent O(8) atoms to form distorted VO6 octahedra that share corners with two equivalent V(3)O6 octahedra,  a cornercorner with one V(2)O5 square pyramid, corners with three equivalent Li(1)O5 square pyramids,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the second V site, V(2) is bonded to one O(1), one O(3), one O(7), and two equivalent O(2) atoms to form VO5 square pyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 56°. In the third V site, V(3) is bonded to two equivalent O(10), two equivalent O(4), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(5), one O(7), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra and corners with three equivalent V(2)O5 square pyramids. The corner-sharing octahedral tilt angles are 31°. In the second P site, P(2) is bonded to one O(10), one O(3), and two equivalent O(8) atoms to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  a cornercorner with one V(2)O5 square pyramid, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 43-54°. In the third P site, P(3) is bonded to one O(1), one O(9), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with two equivalent V(3)O6 octahedra,  a cornercorner with one V(2)O5 square pyramid, corners with three equivalent Li(1)O5 square pyramids, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are ten inequivalent O sites. In the first O site, O(10) is bonded in a distorted trigonal planar geometry to two equivalent V(3) and one P(2) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one P(3) atom. In the third O site, O(2) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the fourth O site, O(3) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. In the fifth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one V(3), and one P(3) atom. In the sixth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the seventh O site, O(6) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent V(3) atoms. In the eighth O site, O(7) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the ninth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(2) atom. In the tenth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(3) atom. is represented by the CIF file [CIF]
data_LiV3P3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.352
_cell_length_b   7.421
_cell_length_c   10.729
_cell_angle_alpha   80.682
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   499.065
_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  0.750  0.390  0.133  1.0
  Li  Li1  1  0.250  0.610  0.867  1.0
  V  V2  1  0.250  0.641  0.199  1.0
  V  V3  1  0.750  0.359  0.801  1.0
  V  V4  1  0.250  0.228  0.448  1.0
  V  V5  1  0.500  0.000  0.000  1.0
  V  V6  1  0.750  0.772  0.552  1.0
  V  V7  1  0.000  0.000  0.000  1.0
  P  P8  1  0.250  0.779  0.477  1.0
  P  P9  1  0.750  0.221  0.523  1.0
  P  P10  1  0.250  0.263  0.771  1.0
  P  P11  1  0.750  0.737  0.229  1.0
  P  P12  1  0.750  0.694  0.877  1.0
  P  P13  1  0.250  0.306  0.123  1.0
  O  O14  1  0.750  0.651  0.740  1.0
  O  O15  1  0.554  0.273  0.441  1.0
  O  O16  1  0.250  0.203  0.643  1.0
  O  O17  1  0.546  0.795  0.903  1.0
  O  O18  1  0.750  0.343  0.630  1.0
  O  O19  1  0.750  0.139  0.904  1.0
  O  O20  1  0.250  0.657  0.370  1.0
  O  O21  1  0.046  0.205  0.097  1.0
  O  O22  1  0.250  0.981  0.413  1.0
  O  O23  1  0.750  0.019  0.587  1.0
  O  O24  1  0.060  0.382  0.798  1.0
  O  O25  1  0.250  0.861  0.096  1.0
  O  O26  1  0.560  0.618  0.202  1.0
  O  O27  1  0.750  0.495  0.952  1.0
  O  O28  1  0.750  0.797  0.357  1.0
  O  O29  1  0.454  0.205  0.097  1.0
  O  O30  1  0.946  0.273  0.441  1.0
  O  O31  1  0.446  0.727  0.559  1.0
  O  O32  1  0.440  0.382  0.798  1.0
  O  O33  1  0.250  0.349  0.260  1.0
  O  O34  1  0.750  0.911  0.120  1.0
  O  O35  1  0.250  0.089  0.880  1.0
  O  O36  1  0.940  0.618  0.202  1.0
  O  O37  1  0.954  0.795  0.903  1.0
  O  O38  1  0.054  0.727  0.559  1.0
  O  O39  1  0.250  0.505  0.048  1.0
[/CIF]
.
The crystal structure described by LiV3P3O13 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded to one O(9), two equivalent O(4), and two equivalent O(8) atoms to form distorted LiO5 square pyramids that share corners with two equivalent V(3)O6 octahedra, corners with three equivalent V(1)O6 octahedra, corners with three equivalent P(3)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-62°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(5), one O(6), one O(9), and two equivalent O(8) atoms to form distorted VO6 octahedra that share corners with two equivalent V(3)O6 octahedra,  a cornercorner with one V(2)O5 square pyramid, corners with three equivalent Li(1)O5 square pyramids,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the second V site, V(2) is bonded to one O(1), one O(3), one O(7), and two equivalent O(2) atoms to form VO5 square pyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 56°. In the third V site, V(3) is bonded to two equivalent O(10), two equivalent O(4), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(5), one O(7), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra and corners with three equivalent V(2)O5 square pyramids. The corner-sharing octahedral tilt angles are 31°. In the second P site, P(2) is bonded to one O(10), one O(3), and two equivalent O(8) atoms to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  a cornercorner with one V(2)O5 square pyramid, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 43-54°. In the third P site, P(3) is bonded to one O(1), one O(9), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with two equivalent V(3)O6 octahedra,  a cornercorner with one V(2)O5 square pyramid, corners with three equivalent Li(1)O5 square pyramids, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are ten inequivalent O sites. In the first O site, O(10) is bonded in a distorted trigonal planar geometry to two equivalent V(3) and one P(2) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one P(3) atom. In the third O site, O(2) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the fourth O site, O(3) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. In the fifth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one V(3), and one P(3) atom. In the sixth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the seventh O site, O(6) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent V(3) atoms. In the eighth O site, O(7) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the ninth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(2) atom. In the tenth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(3) atom. is represented by the CIF file [CIF]
data_LiV3P3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.352
_cell_length_b   7.421
_cell_length_c   10.729
_cell_angle_alpha   80.682
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   499.065
_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  0.750  0.390  0.133  1.0
  Li  Li1  1  0.250  0.610  0.867  1.0
  V  V2  1  0.250  0.641  0.199  1.0
  V  V3  1  0.750  0.359  0.801  1.0
  V  V4  1  0.250  0.228  0.448  1.0
  V  V5  1  0.500  0.000  0.000  1.0
  V  V6  1  0.750  0.772  0.552  1.0
  V  V7  1  0.000  0.000  0.000  1.0
  P  P8  1  0.250  0.779  0.477  1.0
  P  P9  1  0.750  0.221  0.523  1.0
  P  P10  1  0.250  0.263  0.771  1.0
  P  P11  1  0.750  0.737  0.229  1.0
  P  P12  1  0.750  0.694  0.877  1.0
  P  P13  1  0.250  0.306  0.123  1.0
  O  O14  1  0.750  0.651  0.740  1.0
  O  O15  1  0.554  0.273  0.441  1.0
  O  O16  1  0.250  0.203  0.643  1.0
  O  O17  1  0.546  0.795  0.903  1.0
  O  O18  1  0.750  0.343  0.630  1.0
  O  O19  1  0.750  0.139  0.904  1.0
  O  O20  1  0.250  0.657  0.370  1.0
  O  O21  1  0.046  0.205  0.097  1.0
  O  O22  1  0.250  0.981  0.413  1.0
  O  O23  1  0.750  0.019  0.587  1.0
  O  O24  1  0.060  0.382  0.798  1.0
  O  O25  1  0.250  0.861  0.096  1.0
  O  O26  1  0.560  0.618  0.202  1.0
  O  O27  1  0.750  0.495  0.952  1.0
  O  O28  1  0.750  0.797  0.357  1.0
  O  O29  1  0.454  0.205  0.097  1.0
  O  O30  1  0.946  0.273  0.441  1.0
  O  O31  1  0.446  0.727  0.559  1.0
  O  O32  1  0.440  0.382  0.798  1.0
  O  O33  1  0.250  0.349  0.260  1.0
  O  O34  1  0.750  0.911  0.120  1.0
  O  O35  1  0.250  0.089  0.880  1.0
  O  O36  1  0.940  0.618  0.202  1.0
  O  O37  1  0.954  0.795  0.903  1.0
  O  O38  1  0.054  0.727  0.559  1.0
  O  O39  1  0.250  0.505  0.048  1.0
[/CIF]
.