The structure described by LiVP2O7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(7) atoms to form distorted LiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra, and edges with two equivalent V(1)O5 trigonal bipyramids. V(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(6) atom to form VO5 trigonal bipyramids that share corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and edges with two equivalent Li(1)O6 octahedra. 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 corners with three equivalent Li(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with three equivalent V(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 48-56°. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Li(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent V(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 42-51°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), 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(1), one V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) 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 3-coordinate geometry to two equivalent Li(1) and one P(2) atom. is represented by the CIF file [CIF]
data_LiVP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.483
_cell_length_b   7.042
_cell_length_c   9.271
_cell_angle_alpha   67.612
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   512.129
_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  0.571  0.802  0.097  1.0
  Li  Li1  1  0.071  0.198  0.403  1.0
  Li  Li2  1  0.929  0.802  0.597  1.0
  Li  Li3  1  0.429  0.198  0.903  1.0
  V  V4  1  0.929  0.695  0.189  1.0
  V  V5  1  0.429  0.305  0.311  1.0
  V  V6  1  0.571  0.695  0.689  1.0
  V  V7  1  0.071  0.305  0.811  1.0
  P  P8  1  0.715  0.475  0.467  1.0
  P  P9  1  0.215  0.525  0.033  1.0
  P  P10  1  0.737  0.067  0.760  1.0
  P  P11  1  0.237  0.933  0.740  1.0
  P  P12  1  0.763  0.067  0.260  1.0
  P  P13  1  0.263  0.933  0.240  1.0
  P  P14  1  0.785  0.475  0.967  1.0
  P  P15  1  0.285  0.525  0.533  1.0
  O  O16  1  0.585  0.507  0.348  1.0
  O  O17  1  0.881  0.480  0.392  1.0
  O  O18  1  0.784  0.632  0.047  1.0
  O  O19  1  0.284  0.368  0.453  1.0
  O  O20  1  0.381  0.520  0.108  1.0
  O  O21  1  0.690  0.252  0.596  1.0
  O  O22  1  0.085  0.493  0.152  1.0
  O  O23  1  0.248  0.117  0.791  1.0
  O  O24  1  0.900  0.121  0.806  1.0
  O  O25  1  0.610  0.044  0.877  1.0
  O  O26  1  0.810  0.252  0.096  1.0
  O  O27  1  0.110  0.956  0.623  1.0
  O  O28  1  0.252  0.117  0.291  1.0
  O  O29  1  0.600  0.121  0.306  1.0
  O  O30  1  0.400  0.879  0.694  1.0
  O  O31  1  0.748  0.883  0.709  1.0
  O  O32  1  0.890  0.044  0.377  1.0
  O  O33  1  0.190  0.748  0.904  1.0
  O  O34  1  0.390  0.956  0.123  1.0
  O  O35  1  0.100  0.879  0.194  1.0
  O  O36  1  0.752  0.883  0.209  1.0
  O  O37  1  0.915  0.507  0.848  1.0
  O  O38  1  0.310  0.748  0.404  1.0
  O  O39  1  0.619  0.480  0.892  1.0
  O  O40  1  0.716  0.632  0.547  1.0
  O  O41  1  0.216  0.368  0.953  1.0
  O  O42  1  0.119  0.520  0.608  1.0
  O  O43  1  0.415  0.493  0.652  1.0
[/CIF]
.
The structure described by LiVP2O7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(7) atoms to form distorted LiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra, and edges with two equivalent V(1)O5 trigonal bipyramids. V(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(6) atom to form VO5 trigonal bipyramids that share corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and edges with two equivalent Li(1)O6 octahedra. 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 corners with three equivalent Li(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with three equivalent V(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 48-56°. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Li(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent V(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 42-51°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), 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(1), one V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) 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 3-coordinate geometry to two equivalent Li(1) and one P(2) atom. is represented by the CIF file [CIF]
data_LiVP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.483
_cell_length_b   7.042
_cell_length_c   9.271
_cell_angle_alpha   67.612
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   512.129
_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  0.571  0.802  0.097  1.0
  Li  Li1  1  0.071  0.198  0.403  1.0
  Li  Li2  1  0.929  0.802  0.597  1.0
  Li  Li3  1  0.429  0.198  0.903  1.0
  V  V4  1  0.929  0.695  0.189  1.0
  V  V5  1  0.429  0.305  0.311  1.0
  V  V6  1  0.571  0.695  0.689  1.0
  V  V7  1  0.071  0.305  0.811  1.0
  P  P8  1  0.715  0.475  0.467  1.0
  P  P9  1  0.215  0.525  0.033  1.0
  P  P10  1  0.737  0.067  0.760  1.0
  P  P11  1  0.237  0.933  0.740  1.0
  P  P12  1  0.763  0.067  0.260  1.0
  P  P13  1  0.263  0.933  0.240  1.0
  P  P14  1  0.785  0.475  0.967  1.0
  P  P15  1  0.285  0.525  0.533  1.0
  O  O16  1  0.585  0.507  0.348  1.0
  O  O17  1  0.881  0.480  0.392  1.0
  O  O18  1  0.784  0.632  0.047  1.0
  O  O19  1  0.284  0.368  0.453  1.0
  O  O20  1  0.381  0.520  0.108  1.0
  O  O21  1  0.690  0.252  0.596  1.0
  O  O22  1  0.085  0.493  0.152  1.0
  O  O23  1  0.248  0.117  0.791  1.0
  O  O24  1  0.900  0.121  0.806  1.0
  O  O25  1  0.610  0.044  0.877  1.0
  O  O26  1  0.810  0.252  0.096  1.0
  O  O27  1  0.110  0.956  0.623  1.0
  O  O28  1  0.252  0.117  0.291  1.0
  O  O29  1  0.600  0.121  0.306  1.0
  O  O30  1  0.400  0.879  0.694  1.0
  O  O31  1  0.748  0.883  0.709  1.0
  O  O32  1  0.890  0.044  0.377  1.0
  O  O33  1  0.190  0.748  0.904  1.0
  O  O34  1  0.390  0.956  0.123  1.0
  O  O35  1  0.100  0.879  0.194  1.0
  O  O36  1  0.752  0.883  0.209  1.0
  O  O37  1  0.915  0.507  0.848  1.0
  O  O38  1  0.310  0.748  0.404  1.0
  O  O39  1  0.619  0.480  0.892  1.0
  O  O40  1  0.716  0.632  0.547  1.0
  O  O41  1  0.216  0.368  0.953  1.0
  O  O42  1  0.119  0.520  0.608  1.0
  O  O43  1  0.415  0.493  0.652  1.0
[/CIF]
.