The crystal structure described by Li2VOP2O7 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(12), one O(14), and one O(8) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one V(3)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. In the second Li site, Li(2) is bonded to one O(10), one O(13), one O(2), and one O(6) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with three equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-57°. In the third Li site, Li(3) is bonded to one O(11), one O(16), one O(3), and one O(7) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with three equivalent P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-57°. In the fourth Li site, Li(4) is bonded to one O(15), one O(4), one O(5), and one O(9) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-57°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(12), one O(14), one O(15), one O(6), one O(7), and one O(9) atom to form 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, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  a cornercorner with one Li(3)O4 trigonal pyramid, corners with two equivalent Li(1)O4 trigonal pyramids, and corners with two equivalent Li(4)O4 trigonal pyramids. In the second V site, V(2) is bonded to two equivalent O(10), two equivalent O(13), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, corners with two equivalent Li(4)O4 trigonal pyramids, and corners with four equivalent Li(2)O4 trigonal pyramids. In the third V site, V(3) is bonded to two equivalent O(11), two equivalent O(16), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent P(3)O4 tetrahedra, corners with four equivalent P(4)O4 tetrahedra, corners with two equivalent Li(1)O4 trigonal pyramids, and corners with four equivalent Li(3)O4 trigonal pyramids. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(13), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(2)O4 trigonal pyramid, and corners with two equivalent Li(4)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 44-45°. In the second P site, P(2) is bonded to one O(10), one O(14), one O(2), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, and corners with three equivalent Li(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 44-45°. In the third P site, P(3) is bonded to one O(11), one O(15), one O(3), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(3)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(4)O4 trigonal pyramid, and corners with three equivalent Li(3)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 44-45°. In the fourth P site, P(4) is bonded to one O(12), one O(16), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  a cornercorner with one Li(4)O4 trigonal pyramid, and corners with two equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 43-44°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Li(1) and one P(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Li(2) and one P(2) atom. In the third O site, O(3) is bonded in a linear geometry to one Li(3) and one P(3) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Li(4) and one P(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(4), 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(2), one V(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(3), one V(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one V(3), and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(4), one V(1), and one P(1) 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(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(3), one V(3), 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(1) 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(2) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(4), one V(1), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Li(3), one V(3), and one P(4) atom. is represented by the CIF file [CIF]
data_Li2V(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.861
_cell_length_b   4.883
_cell_length_c   7.318
_cell_angle_alpha   89.939
_cell_angle_beta   89.812
_cell_angle_gamma   119.831
_symmetry_Int_Tables_number   1
_cell_volume   150.676
_cell_formula_units_Z   1
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  0.332  0.669  0.311  1.0
  Li  Li1  1  0.668  0.331  0.689  1.0
  O  O2  1  0.334  0.667  0.565  1.0
  O  O3  1  0.666  0.333  0.435  1.0
  O  O4  1  0.300  0.951  0.843  1.0
  O  O5  1  0.650  0.697  0.844  1.0
  O  O6  1  0.047  0.351  0.844  1.0
  O  O7  1  0.953  0.649  0.156  1.0
  O  O8  1  0.350  0.303  0.156  1.0
  O  O9  1  0.700  0.049  0.156  1.0
  P  P10  1  0.334  0.666  0.769  1.0
  P  P11  1  0.666  0.334  0.231  1.0
  V  V12  1  0.000  0.000  1.000  1.0
[/CIF]
.
The crystal structure described by Li2VOP2O7 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(12), one O(14), and one O(8) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one V(3)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. In the second Li site, Li(2) is bonded to one O(10), one O(13), one O(2), and one O(6) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with three equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-57°. In the third Li site, Li(3) is bonded to one O(11), one O(16), one O(3), and one O(7) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with three equivalent P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-57°. In the fourth Li site, Li(4) is bonded to one O(15), one O(4), one O(5), and one O(9) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-57°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(12), one O(14), one O(15), one O(6), one O(7), and one O(9) atom to form 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, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  a cornercorner with one Li(3)O4 trigonal pyramid, corners with two equivalent Li(1)O4 trigonal pyramids, and corners with two equivalent Li(4)O4 trigonal pyramids. In the second V site, V(2) is bonded to two equivalent O(10), two equivalent O(13), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, corners with two equivalent Li(4)O4 trigonal pyramids, and corners with four equivalent Li(2)O4 trigonal pyramids. In the third V site, V(3) is bonded to two equivalent O(11), two equivalent O(16), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent P(3)O4 tetrahedra, corners with four equivalent P(4)O4 tetrahedra, corners with two equivalent Li(1)O4 trigonal pyramids, and corners with four equivalent Li(3)O4 trigonal pyramids. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(13), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(2)O4 trigonal pyramid, and corners with two equivalent Li(4)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 44-45°. In the second P site, P(2) is bonded to one O(10), one O(14), one O(2), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, and corners with three equivalent Li(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 44-45°. In the third P site, P(3) is bonded to one O(11), one O(15), one O(3), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(3)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(4)O4 trigonal pyramid, and corners with three equivalent Li(3)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 44-45°. In the fourth P site, P(4) is bonded to one O(12), one O(16), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  a cornercorner with one Li(4)O4 trigonal pyramid, and corners with two equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 43-44°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Li(1) and one P(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Li(2) and one P(2) atom. In the third O site, O(3) is bonded in a linear geometry to one Li(3) and one P(3) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Li(4) and one P(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(4), 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(2), one V(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(3), one V(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one V(3), and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(4), one V(1), and one P(1) 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(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(3), one V(3), 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(1) 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(2) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(4), one V(1), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Li(3), one V(3), and one P(4) atom. is represented by the CIF file [CIF]
data_Li2V(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.861
_cell_length_b   4.883
_cell_length_c   7.318
_cell_angle_alpha   89.939
_cell_angle_beta   89.812
_cell_angle_gamma   119.831
_symmetry_Int_Tables_number   1
_cell_volume   150.676
_cell_formula_units_Z   1
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  0.332  0.669  0.311  1.0
  Li  Li1  1  0.668  0.331  0.689  1.0
  O  O2  1  0.334  0.667  0.565  1.0
  O  O3  1  0.666  0.333  0.435  1.0
  O  O4  1  0.300  0.951  0.843  1.0
  O  O5  1  0.650  0.697  0.844  1.0
  O  O6  1  0.047  0.351  0.844  1.0
  O  O7  1  0.953  0.649  0.156  1.0
  O  O8  1  0.350  0.303  0.156  1.0
  O  O9  1  0.700  0.049  0.156  1.0
  P  P10  1  0.334  0.666  0.769  1.0
  P  P11  1  0.666  0.334  0.231  1.0
  V  V12  1  0.000  0.000  1.000  1.0
[/CIF]
.