The structure described by LiV(PO4)2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a distorted trigonal planar geometry to one O(2) and two equivalent O(8) atoms. V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted VO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with three equivalent P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-41°. In the second P site, P(2) is bonded to one O(3), one O(5), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-44°. There are eight 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 bent 150 degrees geometry to one Li(1) and one V(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one P(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(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to two equivalent Li(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.658
_cell_length_b   6.228
_cell_length_c   7.557
_cell_angle_alpha   80.099
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   633.231
_cell_formula_units_Z   4
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  0.761  0.668  0.883  1.0
  Li  Li1  1  0.239  0.332  0.117  1.0
  Li  Li2  1  0.739  0.168  0.883  1.0
  Li  Li3  1  0.261  0.832  0.117  1.0
  V  V4  1  0.911  0.225  0.223  1.0
  V  V5  1  0.089  0.775  0.777  1.0
  V  V6  1  0.411  0.275  0.777  1.0
  V  V7  1  0.589  0.725  0.223  1.0
  P  P8  1  0.977  0.735  0.175  1.0
  P  P9  1  0.877  0.028  0.639  1.0
  P  P10  1  0.523  0.235  0.175  1.0
  P  P11  1  0.623  0.528  0.639  1.0
  P  P12  1  0.023  0.265  0.825  1.0
  P  P13  1  0.377  0.472  0.361  1.0
  P  P14  1  0.477  0.765  0.825  1.0
  P  P15  1  0.123  0.972  0.361  1.0
  O  O16  1  0.493  0.768  0.025  1.0
  O  O17  1  0.684  0.782  0.090  1.0
  O  O18  1  0.955  0.858  0.637  1.0
  O  O19  1  0.593  0.417  0.201  1.0
  O  O20  1  0.420  0.272  0.266  1.0
  O  O21  1  0.563  0.014  0.268  1.0
  O  O22  1  0.651  0.649  0.447  1.0
  O  O23  1  0.580  0.728  0.734  1.0
  O  O24  1  0.920  0.228  0.734  1.0
  O  O25  1  0.849  0.149  0.447  1.0
  O  O26  1  0.545  0.358  0.637  1.0
  O  O27  1  0.151  0.851  0.553  1.0
  O  O28  1  0.080  0.772  0.266  1.0
  O  O29  1  0.816  0.282  0.090  1.0
  O  O30  1  0.714  0.454  0.748  1.0
  O  O31  1  0.349  0.351  0.553  1.0
  O  O32  1  0.407  0.583  0.799  1.0
  O  O33  1  0.316  0.218  0.910  1.0
  O  O34  1  0.507  0.232  0.975  1.0
  O  O35  1  0.063  0.486  0.732  1.0
  O  O36  1  0.993  0.732  0.975  1.0
  O  O37  1  0.184  0.718  0.910  1.0
  O  O38  1  0.093  0.083  0.799  1.0
  O  O39  1  0.937  0.514  0.268  1.0
  O  O40  1  0.907  0.917  0.201  1.0
  O  O41  1  0.007  0.268  0.025  1.0
  O  O42  1  0.437  0.986  0.732  1.0
  O  O43  1  0.455  0.642  0.363  1.0
  O  O44  1  0.045  0.142  0.363  1.0
  O  O45  1  0.786  0.954  0.748  1.0
  O  O46  1  0.214  0.046  0.252  1.0
  O  O47  1  0.286  0.546  0.252  1.0
[/CIF]
.
The structure described by LiV(PO4)2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a distorted trigonal planar geometry to one O(2) and two equivalent O(8) atoms. V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted VO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with three equivalent P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-41°. In the second P site, P(2) is bonded to one O(3), one O(5), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-44°. There are eight 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 bent 150 degrees geometry to one Li(1) and one V(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one P(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(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to two equivalent Li(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.658
_cell_length_b   6.228
_cell_length_c   7.557
_cell_angle_alpha   80.099
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   633.231
_cell_formula_units_Z   4
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  0.761  0.668  0.883  1.0
  Li  Li1  1  0.239  0.332  0.117  1.0
  Li  Li2  1  0.739  0.168  0.883  1.0
  Li  Li3  1  0.261  0.832  0.117  1.0
  V  V4  1  0.911  0.225  0.223  1.0
  V  V5  1  0.089  0.775  0.777  1.0
  V  V6  1  0.411  0.275  0.777  1.0
  V  V7  1  0.589  0.725  0.223  1.0
  P  P8  1  0.977  0.735  0.175  1.0
  P  P9  1  0.877  0.028  0.639  1.0
  P  P10  1  0.523  0.235  0.175  1.0
  P  P11  1  0.623  0.528  0.639  1.0
  P  P12  1  0.023  0.265  0.825  1.0
  P  P13  1  0.377  0.472  0.361  1.0
  P  P14  1  0.477  0.765  0.825  1.0
  P  P15  1  0.123  0.972  0.361  1.0
  O  O16  1  0.493  0.768  0.025  1.0
  O  O17  1  0.684  0.782  0.090  1.0
  O  O18  1  0.955  0.858  0.637  1.0
  O  O19  1  0.593  0.417  0.201  1.0
  O  O20  1  0.420  0.272  0.266  1.0
  O  O21  1  0.563  0.014  0.268  1.0
  O  O22  1  0.651  0.649  0.447  1.0
  O  O23  1  0.580  0.728  0.734  1.0
  O  O24  1  0.920  0.228  0.734  1.0
  O  O25  1  0.849  0.149  0.447  1.0
  O  O26  1  0.545  0.358  0.637  1.0
  O  O27  1  0.151  0.851  0.553  1.0
  O  O28  1  0.080  0.772  0.266  1.0
  O  O29  1  0.816  0.282  0.090  1.0
  O  O30  1  0.714  0.454  0.748  1.0
  O  O31  1  0.349  0.351  0.553  1.0
  O  O32  1  0.407  0.583  0.799  1.0
  O  O33  1  0.316  0.218  0.910  1.0
  O  O34  1  0.507  0.232  0.975  1.0
  O  O35  1  0.063  0.486  0.732  1.0
  O  O36  1  0.993  0.732  0.975  1.0
  O  O37  1  0.184  0.718  0.910  1.0
  O  O38  1  0.093  0.083  0.799  1.0
  O  O39  1  0.937  0.514  0.268  1.0
  O  O40  1  0.907  0.917  0.201  1.0
  O  O41  1  0.007  0.268  0.025  1.0
  O  O42  1  0.437  0.986  0.732  1.0
  O  O43  1  0.455  0.642  0.363  1.0
  O  O44  1  0.045  0.142  0.363  1.0
  O  O45  1  0.786  0.954  0.748  1.0
  O  O46  1  0.214  0.046  0.252  1.0
  O  O47  1  0.286  0.546  0.252  1.0
[/CIF]
.