The material structure described by Li2VOP2O7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one V(1)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 57°. V(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, and edges with two equivalent Li(1)O5 trigonal bipyramids. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent Li(1)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 32-47°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(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(1) 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 T-shaped 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   5.098
_cell_length_b   7.632
_cell_length_c   7.766
_cell_angle_alpha   89.998
_cell_angle_beta   90.000
_cell_angle_gamma   93.979
_symmetry_Int_Tables_number   1
_cell_volume   301.420
_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  0.109  0.591  0.869  1.0
  Li  Li1  1  0.391  0.909  0.369  1.0
  Li  Li2  1  0.609  0.091  0.631  1.0
  Li  Li3  1  0.891  0.409  0.131  1.0
  O  O4  1  0.571  0.851  0.564  1.0
  O  O5  1  0.071  0.351  0.936  1.0
  O  O6  1  0.429  0.149  0.436  1.0
  O  O7  1  0.929  0.649  0.064  1.0
  O  O8  1  0.027  0.738  0.375  1.0
  O  O9  1  0.527  0.238  0.125  1.0
  O  O10  1  0.973  0.262  0.625  1.0
  O  O11  1  0.473  0.762  0.875  1.0
  O  O12  1  0.298  0.096  0.815  1.0
  O  O13  1  0.702  0.904  0.185  1.0
  O  O14  1  0.202  0.404  0.315  1.0
  O  O15  1  0.798  0.596  0.685  1.0
  O  O16  1  0.690  0.438  0.358  1.0
  O  O17  1  0.190  0.938  0.142  1.0
  O  O18  1  0.310  0.562  0.642  1.0
  O  O19  1  0.810  0.062  0.858  1.0
  P  P20  1  0.959  0.799  0.188  1.0
  P  P21  1  0.460  0.299  0.312  1.0
  P  P22  1  0.040  0.201  0.812  1.0
  P  P23  1  0.540  0.701  0.688  1.0
  V  V24  1  0.500  1.000  0.000  1.0
  V  V25  1  1.000  0.500  0.500  1.0
[/CIF]
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The material structure described by Li2VOP2O7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one V(1)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 57°. V(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, and edges with two equivalent Li(1)O5 trigonal bipyramids. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent Li(1)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 32-47°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(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(1) 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 T-shaped 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   5.098
_cell_length_b   7.632
_cell_length_c   7.766
_cell_angle_alpha   89.998
_cell_angle_beta   90.000
_cell_angle_gamma   93.979
_symmetry_Int_Tables_number   1
_cell_volume   301.420
_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  0.109  0.591  0.869  1.0
  Li  Li1  1  0.391  0.909  0.369  1.0
  Li  Li2  1  0.609  0.091  0.631  1.0
  Li  Li3  1  0.891  0.409  0.131  1.0
  O  O4  1  0.571  0.851  0.564  1.0
  O  O5  1  0.071  0.351  0.936  1.0
  O  O6  1  0.429  0.149  0.436  1.0
  O  O7  1  0.929  0.649  0.064  1.0
  O  O8  1  0.027  0.738  0.375  1.0
  O  O9  1  0.527  0.238  0.125  1.0
  O  O10  1  0.973  0.262  0.625  1.0
  O  O11  1  0.473  0.762  0.875  1.0
  O  O12  1  0.298  0.096  0.815  1.0
  O  O13  1  0.702  0.904  0.185  1.0
  O  O14  1  0.202  0.404  0.315  1.0
  O  O15  1  0.798  0.596  0.685  1.0
  O  O16  1  0.690  0.438  0.358  1.0
  O  O17  1  0.190  0.938  0.142  1.0
  O  O18  1  0.310  0.562  0.642  1.0
  O  O19  1  0.810  0.062  0.858  1.0
  P  P20  1  0.959  0.799  0.188  1.0
  P  P21  1  0.460  0.299  0.312  1.0
  P  P22  1  0.040  0.201  0.812  1.0
  P  P23  1  0.540  0.701  0.688  1.0
  V  V24  1  0.500  1.000  0.000  1.0
  V  V25  1  1.000  0.500  0.500  1.0
[/CIF]
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