The structure described by Li2VP2O7 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a see-saw-like geometry to one O(2), one O(3), one O(4), and one O(5) atom. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form distorted LiO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-77°. V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-53°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one P(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one V(1), and one P(2) atom. In the third 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 fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one V(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), 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 P(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2VP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.102
_cell_length_b   7.145
_cell_length_c   8.517
_cell_angle_alpha   90.001
_cell_angle_beta   90.000
_cell_angle_gamma   70.675
_symmetry_Int_Tables_number   1
_cell_volume   292.994
_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  0.824  0.651  0.849  1.0
  Li  Li1  1  0.176  0.349  0.349  1.0
  Li  Li2  1  0.726  0.096  0.164  1.0
  Li  Li3  1  0.274  0.904  0.664  1.0
  O  O4  1  0.932  0.878  0.315  1.0
  O  O5  1  0.068  0.122  0.815  1.0
  O  O6  1  0.851  0.891  0.699  1.0
  O  O7  1  0.149  0.109  0.199  1.0
  O  O8  1  0.792  0.496  0.036  1.0
  O  O9  1  0.208  0.504  0.536  1.0
  O  O10  1  0.776  0.503  0.335  1.0
  O  O11  1  0.224  0.497  0.835  1.0
  O  O12  1  0.560  0.622  0.685  1.0
  O  O13  1  0.440  0.378  0.185  1.0
  O  O14  1  0.371  0.914  0.442  1.0
  O  O15  1  0.629  0.086  0.942  1.0
  O  O16  1  0.398  0.747  0.171  1.0
  O  O17  1  0.602  0.253  0.671  1.0
  P  P18  1  0.611  0.521  0.183  1.0
  P  P19  1  0.389  0.479  0.683  1.0
  P  P20  1  0.791  0.086  0.791  1.0
  P  P21  1  0.209  0.914  0.291  1.0
  V  V22  1  0.792  0.722  0.497  1.0
  V  V23  1  0.208  0.278  0.997  1.0
[/CIF]
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The structure described by Li2VP2O7 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a see-saw-like geometry to one O(2), one O(3), one O(4), and one O(5) atom. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form distorted LiO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-77°. V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-53°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one P(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one V(1), and one P(2) atom. In the third 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 fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one V(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), 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 P(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2VP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.102
_cell_length_b   7.145
_cell_length_c   8.517
_cell_angle_alpha   90.001
_cell_angle_beta   90.000
_cell_angle_gamma   70.675
_symmetry_Int_Tables_number   1
_cell_volume   292.994
_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  0.824  0.651  0.849  1.0
  Li  Li1  1  0.176  0.349  0.349  1.0
  Li  Li2  1  0.726  0.096  0.164  1.0
  Li  Li3  1  0.274  0.904  0.664  1.0
  O  O4  1  0.932  0.878  0.315  1.0
  O  O5  1  0.068  0.122  0.815  1.0
  O  O6  1  0.851  0.891  0.699  1.0
  O  O7  1  0.149  0.109  0.199  1.0
  O  O8  1  0.792  0.496  0.036  1.0
  O  O9  1  0.208  0.504  0.536  1.0
  O  O10  1  0.776  0.503  0.335  1.0
  O  O11  1  0.224  0.497  0.835  1.0
  O  O12  1  0.560  0.622  0.685  1.0
  O  O13  1  0.440  0.378  0.185  1.0
  O  O14  1  0.371  0.914  0.442  1.0
  O  O15  1  0.629  0.086  0.942  1.0
  O  O16  1  0.398  0.747  0.171  1.0
  O  O17  1  0.602  0.253  0.671  1.0
  P  P18  1  0.611  0.521  0.183  1.0
  P  P19  1  0.389  0.479  0.683  1.0
  P  P20  1  0.791  0.086  0.791  1.0
  P  P21  1  0.209  0.914  0.291  1.0
  V  V22  1  0.792  0.722  0.497  1.0
  V  V23  1  0.208  0.278  0.997  1.0
[/CIF]
.