The material 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(4), and one O(6) atom to form distorted LiO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with two equivalent V(1)O6 octahedra. V(1) is bonded to one O(2), one O(3), one O(4), one O(6), and two equivalent O(5) atoms to form VO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, and edges with two equivalent Li(1)O5 trigonal bipyramids. 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(7) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 45-54°. In the second P site, P(2) is bonded to one O(2), one O(3), 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 P(1)O4 tetrahedra, and corners with three equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 26-49°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Li(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(2) 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(2) 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 trigonal planar geometry to two equivalent V(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped 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 P(1) and one P(2) atom. is represented by the CIF card [CIF]
data_LiVP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.298
_cell_length_b   7.058
_cell_length_c   9.102
_cell_angle_alpha   65.424
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   484.776
_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  0.448  0.296  0.330  1.0
  Li  Li1  1  0.552  0.704  0.670  1.0
  Li  Li2  1  0.052  0.296  0.830  1.0
  Li  Li3  1  0.948  0.704  0.170  1.0
  V  V4  1  0.422  0.237  0.887  1.0
  V  V5  1  0.078  0.237  0.387  1.0
  V  V6  1  0.922  0.763  0.613  1.0
  V  V7  1  0.578  0.763  0.113  1.0
  P  P8  1  0.763  0.059  0.259  1.0
  P  P9  1  0.263  0.941  0.241  1.0
  P  P10  1  0.737  0.059  0.759  1.0
  P  P11  1  0.268  0.537  0.533  1.0
  P  P12  1  0.732  0.463  0.467  1.0
  P  P13  1  0.768  0.463  0.967  1.0
  P  P14  1  0.237  0.941  0.741  1.0
  P  P15  1  0.232  0.537  0.033  1.0
  O  O16  1  0.890  0.115  0.816  1.0
  O  O17  1  0.248  0.381  0.956  1.0
  O  O18  1  0.752  0.619  0.044  1.0
  O  O19  1  0.110  0.885  0.184  1.0
  O  O20  1  0.096  0.477  0.159  1.0
  O  O21  1  0.752  0.882  0.201  1.0
  O  O22  1  0.906  0.014  0.383  1.0
  O  O23  1  0.252  0.118  0.299  1.0
  O  O24  1  0.248  0.118  0.799  1.0
  O  O25  1  0.605  0.423  0.903  1.0
  O  O26  1  0.748  0.619  0.544  1.0
  O  O27  1  0.904  0.523  0.841  1.0
  O  O28  1  0.835  0.250  0.103  1.0
  O  O29  1  0.252  0.381  0.456  1.0
  O  O30  1  0.335  0.750  0.397  1.0
  O  O31  1  0.748  0.882  0.701  1.0
  O  O32  1  0.390  0.885  0.684  1.0
  O  O33  1  0.395  0.577  0.097  1.0
  O  O34  1  0.105  0.577  0.597  1.0
  O  O35  1  0.165  0.750  0.897  1.0
  O  O36  1  0.665  0.250  0.603  1.0
  O  O37  1  0.094  0.986  0.617  1.0
  O  O38  1  0.610  0.115  0.316  1.0
  O  O39  1  0.895  0.423  0.403  1.0
  O  O40  1  0.594  0.014  0.883  1.0
  O  O41  1  0.404  0.477  0.659  1.0
  O  O42  1  0.406  0.986  0.117  1.0
  O  O43  1  0.596  0.523  0.341  1.0
[/CIF]
.
The material 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(4), and one O(6) atom to form distorted LiO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with two equivalent V(1)O6 octahedra. V(1) is bonded to one O(2), one O(3), one O(4), one O(6), and two equivalent O(5) atoms to form VO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, and edges with two equivalent Li(1)O5 trigonal bipyramids. 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(7) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 45-54°. In the second P site, P(2) is bonded to one O(2), one O(3), 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 P(1)O4 tetrahedra, and corners with three equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 26-49°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Li(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(2) 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(2) 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 trigonal planar geometry to two equivalent V(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped 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 P(1) and one P(2) atom. is represented by the CIF card [CIF]
data_LiVP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.298
_cell_length_b   7.058
_cell_length_c   9.102
_cell_angle_alpha   65.424
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   484.776
_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  0.448  0.296  0.330  1.0
  Li  Li1  1  0.552  0.704  0.670  1.0
  Li  Li2  1  0.052  0.296  0.830  1.0
  Li  Li3  1  0.948  0.704  0.170  1.0
  V  V4  1  0.422  0.237  0.887  1.0
  V  V5  1  0.078  0.237  0.387  1.0
  V  V6  1  0.922  0.763  0.613  1.0
  V  V7  1  0.578  0.763  0.113  1.0
  P  P8  1  0.763  0.059  0.259  1.0
  P  P9  1  0.263  0.941  0.241  1.0
  P  P10  1  0.737  0.059  0.759  1.0
  P  P11  1  0.268  0.537  0.533  1.0
  P  P12  1  0.732  0.463  0.467  1.0
  P  P13  1  0.768  0.463  0.967  1.0
  P  P14  1  0.237  0.941  0.741  1.0
  P  P15  1  0.232  0.537  0.033  1.0
  O  O16  1  0.890  0.115  0.816  1.0
  O  O17  1  0.248  0.381  0.956  1.0
  O  O18  1  0.752  0.619  0.044  1.0
  O  O19  1  0.110  0.885  0.184  1.0
  O  O20  1  0.096  0.477  0.159  1.0
  O  O21  1  0.752  0.882  0.201  1.0
  O  O22  1  0.906  0.014  0.383  1.0
  O  O23  1  0.252  0.118  0.299  1.0
  O  O24  1  0.248  0.118  0.799  1.0
  O  O25  1  0.605  0.423  0.903  1.0
  O  O26  1  0.748  0.619  0.544  1.0
  O  O27  1  0.904  0.523  0.841  1.0
  O  O28  1  0.835  0.250  0.103  1.0
  O  O29  1  0.252  0.381  0.456  1.0
  O  O30  1  0.335  0.750  0.397  1.0
  O  O31  1  0.748  0.882  0.701  1.0
  O  O32  1  0.390  0.885  0.684  1.0
  O  O33  1  0.395  0.577  0.097  1.0
  O  O34  1  0.105  0.577  0.597  1.0
  O  O35  1  0.165  0.750  0.897  1.0
  O  O36  1  0.665  0.250  0.603  1.0
  O  O37  1  0.094  0.986  0.617  1.0
  O  O38  1  0.610  0.115  0.316  1.0
  O  O39  1  0.895  0.423  0.403  1.0
  O  O40  1  0.594  0.014  0.883  1.0
  O  O41  1  0.404  0.477  0.659  1.0
  O  O42  1  0.406  0.986  0.117  1.0
  O  O43  1  0.596  0.523  0.341  1.0
[/CIF]
.