The crystal structure described by LiVP2O7 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a see-saw-like geometry to one O(1), one O(2), one O(3), and one O(5) atom. V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form VO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), 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 44-54°. In the second P site, P(2) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-53°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar 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(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(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(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one V(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.397
_cell_length_b   6.397
_cell_length_c   13.349
_cell_angle_alpha   74.861
_cell_angle_beta   74.861
_cell_angle_gamma   80.659
_symmetry_Int_Tables_number   1
_cell_volume   506.388
_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  0.236  0.018  0.850  1.0
  Li  Li1  1  0.018  0.236  0.350  1.0
  Li  Li2  1  0.982  0.764  0.650  1.0
  Li  Li3  1  0.764  0.982  0.150  1.0
  V  V4  1  0.128  0.598  0.141  1.0
  V  V5  1  0.402  0.872  0.359  1.0
  V  V6  1  0.598  0.128  0.641  1.0
  V  V7  1  0.872  0.402  0.859  1.0
  P  P8  1  0.908  0.754  0.362  1.0
  P  P9  1  0.588  0.669  0.570  1.0
  P  P10  1  0.331  0.412  0.930  1.0
  P  P11  1  0.754  0.908  0.862  1.0
  P  P12  1  0.246  0.092  0.138  1.0
  P  P13  1  0.669  0.588  0.070  1.0
  P  P14  1  0.412  0.331  0.430  1.0
  P  P15  1  0.092  0.246  0.638  1.0
  O  O16  1  0.066  0.889  0.381  1.0
  O  O17  1  0.111  0.934  0.119  1.0
  O  O18  1  0.669  0.813  0.625  1.0
  O  O19  1  0.731  0.905  0.313  1.0
  O  O20  1  0.554  0.458  0.859  1.0
  O  O21  1  0.019  0.576  0.301  1.0
  O  O22  1  0.794  0.615  0.477  1.0
  O  O23  1  0.214  0.601  0.982  1.0
  O  O24  1  0.399  0.786  0.518  1.0
  O  O25  1  0.542  0.446  0.641  1.0
  O  O26  1  0.385  0.206  0.023  1.0
  O  O27  1  0.813  0.669  0.125  1.0
  O  O28  1  0.424  0.981  0.199  1.0
  O  O29  1  0.095  0.269  0.187  1.0
  O  O30  1  0.905  0.731  0.813  1.0
  O  O31  1  0.576  0.019  0.801  1.0
  O  O32  1  0.187  0.331  0.875  1.0
  O  O33  1  0.615  0.794  0.977  1.0
  O  O34  1  0.458  0.554  0.359  1.0
  O  O35  1  0.601  0.214  0.482  1.0
  O  O36  1  0.786  0.399  0.018  1.0
  O  O37  1  0.206  0.385  0.523  1.0
  O  O38  1  0.981  0.424  0.699  1.0
  O  O39  1  0.446  0.542  0.141  1.0
  O  O40  1  0.269  0.095  0.687  1.0
  O  O41  1  0.331  0.187  0.375  1.0
  O  O42  1  0.889  0.066  0.881  1.0
  O  O43  1  0.934  0.111  0.619  1.0
[/CIF]
.
The crystal structure described by LiVP2O7 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a see-saw-like geometry to one O(1), one O(2), one O(3), and one O(5) atom. V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form VO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), 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 44-54°. In the second P site, P(2) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-53°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar 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(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(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(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one V(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.397
_cell_length_b   6.397
_cell_length_c   13.349
_cell_angle_alpha   74.861
_cell_angle_beta   74.861
_cell_angle_gamma   80.659
_symmetry_Int_Tables_number   1
_cell_volume   506.388
_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  0.236  0.018  0.850  1.0
  Li  Li1  1  0.018  0.236  0.350  1.0
  Li  Li2  1  0.982  0.764  0.650  1.0
  Li  Li3  1  0.764  0.982  0.150  1.0
  V  V4  1  0.128  0.598  0.141  1.0
  V  V5  1  0.402  0.872  0.359  1.0
  V  V6  1  0.598  0.128  0.641  1.0
  V  V7  1  0.872  0.402  0.859  1.0
  P  P8  1  0.908  0.754  0.362  1.0
  P  P9  1  0.588  0.669  0.570  1.0
  P  P10  1  0.331  0.412  0.930  1.0
  P  P11  1  0.754  0.908  0.862  1.0
  P  P12  1  0.246  0.092  0.138  1.0
  P  P13  1  0.669  0.588  0.070  1.0
  P  P14  1  0.412  0.331  0.430  1.0
  P  P15  1  0.092  0.246  0.638  1.0
  O  O16  1  0.066  0.889  0.381  1.0
  O  O17  1  0.111  0.934  0.119  1.0
  O  O18  1  0.669  0.813  0.625  1.0
  O  O19  1  0.731  0.905  0.313  1.0
  O  O20  1  0.554  0.458  0.859  1.0
  O  O21  1  0.019  0.576  0.301  1.0
  O  O22  1  0.794  0.615  0.477  1.0
  O  O23  1  0.214  0.601  0.982  1.0
  O  O24  1  0.399  0.786  0.518  1.0
  O  O25  1  0.542  0.446  0.641  1.0
  O  O26  1  0.385  0.206  0.023  1.0
  O  O27  1  0.813  0.669  0.125  1.0
  O  O28  1  0.424  0.981  0.199  1.0
  O  O29  1  0.095  0.269  0.187  1.0
  O  O30  1  0.905  0.731  0.813  1.0
  O  O31  1  0.576  0.019  0.801  1.0
  O  O32  1  0.187  0.331  0.875  1.0
  O  O33  1  0.615  0.794  0.977  1.0
  O  O34  1  0.458  0.554  0.359  1.0
  O  O35  1  0.601  0.214  0.482  1.0
  O  O36  1  0.786  0.399  0.018  1.0
  O  O37  1  0.206  0.385  0.523  1.0
  O  O38  1  0.981  0.424  0.699  1.0
  O  O39  1  0.446  0.542  0.141  1.0
  O  O40  1  0.269  0.095  0.687  1.0
  O  O41  1  0.331  0.187  0.375  1.0
  O  O42  1  0.889  0.066  0.881  1.0
  O  O43  1  0.934  0.111  0.619  1.0
[/CIF]
.