The compound described by Li2VOP2O7 crystallizes in the monoclinic Pc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO6 octahedra that share corners with four equivalent V(1)O6 pentagonal pyramids, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. V(1) is bonded to one O(2), one O(3), one O(4), one O(6), one O(7), and one O(8) atom to form VO6 pentagonal pyramids that share corners with four equivalent Li(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-52°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent V(1)O6 pentagonal pyramids, and  an edgeedge with one V(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 59-62°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent V(1)O6 pentagonal pyramids, and  an edgeedge with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-56°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one P(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(2), one V(1), and one P(2) atom. In the third O site, O(3) is bonded in a distorted tetrahedral geometry to one Li(1), one Li(2), one V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one V(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one P(2) 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(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(1) atom. is represented by the CIF card [CIF]
data_Li2V(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.836
_cell_length_b   10.036
_cell_length_c   5.853
_cell_angle_alpha   90.581
_cell_angle_beta   90.006
_cell_angle_gamma   89.996
_symmetry_Int_Tables_number   1
_cell_volume   284.056
_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  0.004  0.013  0.566  1.0
  Li  Li1  1  0.496  0.513  0.566  1.0
  Li  Li2  1  0.467  0.220  0.755  1.0
  Li  Li3  1  0.033  0.720  0.755  1.0
  V  V4  1  0.969  0.275  0.238  1.0
  V  V5  1  0.531  0.775  0.238  1.0
  P  P6  1  0.400  0.097  0.247  1.0
  P  P7  1  0.100  0.598  0.247  1.0
  P  P8  1  0.951  0.403  0.742  1.0
  P  P9  1  0.549  0.904  0.742  1.0
  O  O10  1  0.261  0.392  0.735  1.0
  O  O11  1  0.239  0.892  0.735  1.0
  O  O12  1  0.821  0.322  0.951  1.0
  O  O13  1  0.679  0.822  0.951  1.0
  O  O14  1  0.262  0.665  0.451  1.0
  O  O15  1  0.238  0.165  0.451  1.0
  O  O16  1  0.809  0.330  0.523  1.0
  O  O17  1  0.690  0.830  0.523  1.0
  O  O18  1  0.832  0.543  0.744  1.0
  O  O19  1  0.668  0.043  0.744  1.0
  O  O20  1  0.255  0.175  0.049  1.0
  O  O21  1  0.245  0.675  0.049  1.0
  O  O22  1  0.326  0.947  0.244  1.0
  O  O23  1  0.174  0.447  0.244  1.0
  O  O24  1  0.715  0.117  0.255  1.0
  O  O25  1  0.785  0.617  0.255  1.0
[/CIF]
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The compound described by Li2VOP2O7 crystallizes in the monoclinic Pc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO6 octahedra that share corners with four equivalent V(1)O6 pentagonal pyramids, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. V(1) is bonded to one O(2), one O(3), one O(4), one O(6), one O(7), and one O(8) atom to form VO6 pentagonal pyramids that share corners with four equivalent Li(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-52°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent V(1)O6 pentagonal pyramids, and  an edgeedge with one V(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 59-62°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent V(1)O6 pentagonal pyramids, and  an edgeedge with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-56°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one P(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(2), one V(1), and one P(2) atom. In the third O site, O(3) is bonded in a distorted tetrahedral geometry to one Li(1), one Li(2), one V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one V(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one P(2) 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(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(1) atom. is represented by the CIF card [CIF]
data_Li2V(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.836
_cell_length_b   10.036
_cell_length_c   5.853
_cell_angle_alpha   90.581
_cell_angle_beta   90.006
_cell_angle_gamma   89.996
_symmetry_Int_Tables_number   1
_cell_volume   284.056
_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  0.004  0.013  0.566  1.0
  Li  Li1  1  0.496  0.513  0.566  1.0
  Li  Li2  1  0.467  0.220  0.755  1.0
  Li  Li3  1  0.033  0.720  0.755  1.0
  V  V4  1  0.969  0.275  0.238  1.0
  V  V5  1  0.531  0.775  0.238  1.0
  P  P6  1  0.400  0.097  0.247  1.0
  P  P7  1  0.100  0.598  0.247  1.0
  P  P8  1  0.951  0.403  0.742  1.0
  P  P9  1  0.549  0.904  0.742  1.0
  O  O10  1  0.261  0.392  0.735  1.0
  O  O11  1  0.239  0.892  0.735  1.0
  O  O12  1  0.821  0.322  0.951  1.0
  O  O13  1  0.679  0.822  0.951  1.0
  O  O14  1  0.262  0.665  0.451  1.0
  O  O15  1  0.238  0.165  0.451  1.0
  O  O16  1  0.809  0.330  0.523  1.0
  O  O17  1  0.690  0.830  0.523  1.0
  O  O18  1  0.832  0.543  0.744  1.0
  O  O19  1  0.668  0.043  0.744  1.0
  O  O20  1  0.255  0.175  0.049  1.0
  O  O21  1  0.245  0.675  0.049  1.0
  O  O22  1  0.326  0.947  0.244  1.0
  O  O23  1  0.174  0.447  0.244  1.0
  O  O24  1  0.715  0.117  0.255  1.0
  O  O25  1  0.785  0.617  0.255  1.0
[/CIF]
.