The structure 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 in a rectangular see-saw-like geometry to one O(3), one O(6), one O(8), and one O(9) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(10), one O(4), and one O(5) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(11), 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 P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second V site, V(2) is bonded to one O(1), one O(10), one O(12), one O(2), one O(4), and one O(9) atom to form VO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(11), one O(2), and one O(3) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and corners with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-41°. 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 and corners with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-45°. In the third P site, P(3) is bonded to one O(10), one O(7), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and corners with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-43°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one V(2), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), 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(2), one V(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one V(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to 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 3-coordinate geometry to one Li(1), one V(2), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one V(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the twelfth O site, O(12) is bonded in a linear 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   8.705
_cell_length_b   8.662
_cell_length_c   8.676
_cell_angle_alpha   60.265
_cell_angle_beta   91.072
_cell_angle_gamma   60.718
_symmetry_Int_Tables_number   1
_cell_volume   465.037
_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  0.680  0.774  0.554  1.0
  Li  Li1  1  0.178  0.871  0.940  1.0
  Li  Li2  1  0.821  0.129  0.060  1.0
  Li  Li3  1  0.319  0.226  0.446  1.0
  V  V4  1  0.636  0.721  0.916  1.0
  V  V5  1  0.861  0.284  0.577  1.0
  V  V6  1  0.139  0.716  0.423  1.0
  V  V7  1  0.364  0.278  0.084  1.0
  P  P8  1  0.968  0.783  0.750  1.0
  P  P9  1  0.543  0.492  0.749  1.0
  P  P10  1  0.252  0.213  0.746  1.0
  P  P11  1  0.748  0.787  0.254  1.0
  P  P12  1  0.457  0.508  0.251  1.0
  P  P13  1  0.032  0.217  0.250  1.0
  O  O14  1  0.951  0.972  0.746  1.0
  O  O15  1  0.010  0.791  0.573  1.0
  O  O16  1  0.783  0.803  0.737  1.0
  O  O17  1  0.734  0.326  0.750  1.0
  O  O18  1  0.536  0.351  0.943  1.0
  O  O19  1  0.561  0.669  0.731  1.0
  O  O20  1  0.301  0.207  0.918  1.0
  O  O21  1  0.414  0.036  0.734  1.0
  O  O22  1  0.811  0.574  0.448  1.0
  O  O23  1  0.907  0.825  0.245  1.0
  O  O24  1  0.133  0.578  0.930  1.0
  O  O25  1  0.623  0.396  0.420  1.0
  O  O26  1  0.377  0.604  0.580  1.0
  O  O27  1  0.867  0.422  0.070  1.0
  O  O28  1  0.092  0.176  0.755  1.0
  O  O29  1  0.188  0.426  0.552  1.0
  O  O30  1  0.586  0.965  0.266  1.0
  O  O31  1  0.699  0.793  0.082  1.0
  O  O32  1  0.438  0.331  0.270  1.0
  O  O33  1  0.463  0.649  0.057  1.0
  O  O34  1  0.266  0.674  0.250  1.0
  O  O35  1  0.218  0.197  0.264  1.0
  O  O36  1  0.991  0.209  0.427  1.0
  O  O37  1  0.049  0.028  0.254  1.0
[/CIF]
.
The structure 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 in a rectangular see-saw-like geometry to one O(3), one O(6), one O(8), and one O(9) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(10), one O(4), and one O(5) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(11), 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 P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second V site, V(2) is bonded to one O(1), one O(10), one O(12), one O(2), one O(4), and one O(9) atom to form VO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(11), one O(2), and one O(3) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and corners with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-41°. 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 and corners with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-45°. In the third P site, P(3) is bonded to one O(10), one O(7), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and corners with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-43°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one V(2), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), 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(2), one V(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one V(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to 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 3-coordinate geometry to one Li(1), one V(2), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one V(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the twelfth O site, O(12) is bonded in a linear 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   8.705
_cell_length_b   8.662
_cell_length_c   8.676
_cell_angle_alpha   60.265
_cell_angle_beta   91.072
_cell_angle_gamma   60.718
_symmetry_Int_Tables_number   1
_cell_volume   465.037
_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  0.680  0.774  0.554  1.0
  Li  Li1  1  0.178  0.871  0.940  1.0
  Li  Li2  1  0.821  0.129  0.060  1.0
  Li  Li3  1  0.319  0.226  0.446  1.0
  V  V4  1  0.636  0.721  0.916  1.0
  V  V5  1  0.861  0.284  0.577  1.0
  V  V6  1  0.139  0.716  0.423  1.0
  V  V7  1  0.364  0.278  0.084  1.0
  P  P8  1  0.968  0.783  0.750  1.0
  P  P9  1  0.543  0.492  0.749  1.0
  P  P10  1  0.252  0.213  0.746  1.0
  P  P11  1  0.748  0.787  0.254  1.0
  P  P12  1  0.457  0.508  0.251  1.0
  P  P13  1  0.032  0.217  0.250  1.0
  O  O14  1  0.951  0.972  0.746  1.0
  O  O15  1  0.010  0.791  0.573  1.0
  O  O16  1  0.783  0.803  0.737  1.0
  O  O17  1  0.734  0.326  0.750  1.0
  O  O18  1  0.536  0.351  0.943  1.0
  O  O19  1  0.561  0.669  0.731  1.0
  O  O20  1  0.301  0.207  0.918  1.0
  O  O21  1  0.414  0.036  0.734  1.0
  O  O22  1  0.811  0.574  0.448  1.0
  O  O23  1  0.907  0.825  0.245  1.0
  O  O24  1  0.133  0.578  0.930  1.0
  O  O25  1  0.623  0.396  0.420  1.0
  O  O26  1  0.377  0.604  0.580  1.0
  O  O27  1  0.867  0.422  0.070  1.0
  O  O28  1  0.092  0.176  0.755  1.0
  O  O29  1  0.188  0.426  0.552  1.0
  O  O30  1  0.586  0.965  0.266  1.0
  O  O31  1  0.699  0.793  0.082  1.0
  O  O32  1  0.438  0.331  0.270  1.0
  O  O33  1  0.463  0.649  0.057  1.0
  O  O34  1  0.266  0.674  0.250  1.0
  O  O35  1  0.218  0.197  0.264  1.0
  O  O36  1  0.991  0.209  0.427  1.0
  O  O37  1  0.049  0.028  0.254  1.0
[/CIF]
.