The compound described by LiVP2O7 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(12), one O(14), one O(3), one O(6), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and edges with three equivalent V(1)O6 octahedra. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(13), one O(2), 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(1), one O(12), one O(14), one O(3), one O(6), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and edges with three equivalent Li(1)O6 octahedra. In the second V site, V(2) is bonded to one O(10), one O(11), one O(13), one O(2), one O(4), and one O(5) atom to form distorted VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are four 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(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-68°. In the second P site, P(2) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-55°. In the third P site, P(3) is bonded to one O(11), one O(13), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-61°. In the fourth P site, P(4) is bonded to one O(10), one O(12), one O(14), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-62°. There are fourteen 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 distorted bent 150 degrees geometry to one Li(2), one V(2), 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 distorted trigonal planar 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(2), and one P(1) 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 linear geometry to one P(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a linear geometry to one P(2) and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(2), one V(2), and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(2), one V(2), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(2), one V(2), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(4) atom. is represented by the CIF file [CIF]
data_LiVP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.274
_cell_length_b   5.364
_cell_length_c   9.075
_cell_angle_alpha   82.416
_cell_angle_beta   98.061
_cell_angle_gamma   75.849
_symmetry_Int_Tables_number   1
_cell_volume   242.770
_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  0.703  0.691  0.499  1.0
  Li  Li1  1  0.317  0.289  0.990  1.0
  V  V2  1  0.319  0.323  0.498  1.0
  V  V3  1  0.674  0.684  0.001  1.0
  P  P4  1  0.220  0.786  0.702  1.0
  P  P5  1  0.215  0.782  0.205  1.0
  P  P6  1  0.776  0.210  0.799  1.0
  P  P7  1  0.785  0.227  0.297  1.0
  O  O8  1  0.362  0.953  0.612  1.0
  O  O9  1  0.039  0.646  0.113  1.0
  O  O10  1  0.099  0.612  0.607  1.0
  O  O11  1  0.390  0.899  0.109  1.0
  O  O12  1  0.386  0.628  0.854  1.0
  O  O13  1  0.376  0.618  0.355  1.0
  O  O14  1  0.983  0.977  0.753  1.0
  O  O15  1  0.019  0.013  0.257  1.0
  O  O16  1  0.620  0.370  0.645  1.0
  O  O17  1  0.626  0.376  0.143  1.0
  O  O18  1  0.616  0.064  0.891  1.0
  O  O19  1  0.938  0.382  0.389  1.0
  O  O20  1  0.918  0.372  0.890  1.0
  O  O21  1  0.616  0.096  0.390  1.0
[/CIF]
.
The compound described by LiVP2O7 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(12), one O(14), one O(3), one O(6), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and edges with three equivalent V(1)O6 octahedra. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(13), one O(2), 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(1), one O(12), one O(14), one O(3), one O(6), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and edges with three equivalent Li(1)O6 octahedra. In the second V site, V(2) is bonded to one O(10), one O(11), one O(13), one O(2), one O(4), and one O(5) atom to form distorted VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are four 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(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-68°. In the second P site, P(2) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-55°. In the third P site, P(3) is bonded to one O(11), one O(13), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-61°. In the fourth P site, P(4) is bonded to one O(10), one O(12), one O(14), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-62°. There are fourteen 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 distorted bent 150 degrees geometry to one Li(2), one V(2), 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 distorted trigonal planar 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(2), and one P(1) 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 linear geometry to one P(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a linear geometry to one P(2) and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(2), one V(2), and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(2), one V(2), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(2), one V(2), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(4) atom. is represented by the CIF file [CIF]
data_LiVP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.274
_cell_length_b   5.364
_cell_length_c   9.075
_cell_angle_alpha   82.416
_cell_angle_beta   98.061
_cell_angle_gamma   75.849
_symmetry_Int_Tables_number   1
_cell_volume   242.770
_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  0.703  0.691  0.499  1.0
  Li  Li1  1  0.317  0.289  0.990  1.0
  V  V2  1  0.319  0.323  0.498  1.0
  V  V3  1  0.674  0.684  0.001  1.0
  P  P4  1  0.220  0.786  0.702  1.0
  P  P5  1  0.215  0.782  0.205  1.0
  P  P6  1  0.776  0.210  0.799  1.0
  P  P7  1  0.785  0.227  0.297  1.0
  O  O8  1  0.362  0.953  0.612  1.0
  O  O9  1  0.039  0.646  0.113  1.0
  O  O10  1  0.099  0.612  0.607  1.0
  O  O11  1  0.390  0.899  0.109  1.0
  O  O12  1  0.386  0.628  0.854  1.0
  O  O13  1  0.376  0.618  0.355  1.0
  O  O14  1  0.983  0.977  0.753  1.0
  O  O15  1  0.019  0.013  0.257  1.0
  O  O16  1  0.620  0.370  0.645  1.0
  O  O17  1  0.626  0.376  0.143  1.0
  O  O18  1  0.616  0.064  0.891  1.0
  O  O19  1  0.938  0.382  0.389  1.0
  O  O20  1  0.918  0.372  0.890  1.0
  O  O21  1  0.616  0.096  0.390  1.0
[/CIF]
.