The compound described by Li2VOP2O7 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(4), one O(5), and one O(6) atom. In the second Li site, Li(2) is bonded in a distorted see-saw-like geometry to one O(1), one O(3), one O(4), and one O(8) atom. V(1) is bonded to one O(2), one O(3), one O(5), one O(6), one O(7), and one O(8) 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(6), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-46°. In the second P site, P(2) is bonded to one O(2), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-48°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one V(1) and one P(2) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(2), one V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(1), one V(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one V(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2V(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.343
_cell_length_b   5.047
_cell_length_c   7.004
_cell_angle_alpha   81.795
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   291.868
_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  0.488  0.250  0.750  1.0
  Li  Li1  1  0.988  0.750  0.250  1.0
  Li  Li2  1  0.648  0.736  0.891  1.0
  Li  Li3  1  0.148  0.264  0.109  1.0
  V  V4  1  0.001  0.759  0.738  1.0
  V  V5  1  0.501  0.241  0.262  1.0
  P  P6  1  0.322  0.795  0.022  1.0
  P  P7  1  0.180  0.312  0.521  1.0
  P  P8  1  0.822  0.205  0.978  1.0
  P  P9  1  0.680  0.688  0.479  1.0
  O  O10  1  0.929  0.104  0.146  1.0
  O  O11  1  0.646  0.538  0.304  1.0
  O  O12  1  0.336  0.970  0.189  1.0
  O  O13  1  0.836  0.030  0.811  1.0
  O  O14  1  0.604  0.563  0.665  1.0
  O  O15  1  0.104  0.437  0.335  1.0
  O  O16  1  0.429  0.896  0.854  1.0
  O  O17  1  0.364  0.286  0.495  1.0
  O  O18  1  0.146  0.462  0.696  1.0
  O  O19  1  0.864  0.714  0.505  1.0
  O  O20  1  0.140  0.795  0.970  1.0
  O  O21  1  0.640  0.205  0.030  1.0
  O  O22  1  0.614  0.982  0.416  1.0
  O  O23  1  0.114  0.018  0.584  1.0
  O  O24  1  0.368  0.493  0.095  1.0
  O  O25  1  0.868  0.507  0.905  1.0
[/CIF]
.
The compound described by Li2VOP2O7 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(4), one O(5), and one O(6) atom. In the second Li site, Li(2) is bonded in a distorted see-saw-like geometry to one O(1), one O(3), one O(4), and one O(8) atom. V(1) is bonded to one O(2), one O(3), one O(5), one O(6), one O(7), and one O(8) 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(6), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-46°. In the second P site, P(2) is bonded to one O(2), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-48°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one V(1) and one P(2) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(2), one V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(1), one V(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one V(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2V(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.343
_cell_length_b   5.047
_cell_length_c   7.004
_cell_angle_alpha   81.795
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   291.868
_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  0.488  0.250  0.750  1.0
  Li  Li1  1  0.988  0.750  0.250  1.0
  Li  Li2  1  0.648  0.736  0.891  1.0
  Li  Li3  1  0.148  0.264  0.109  1.0
  V  V4  1  0.001  0.759  0.738  1.0
  V  V5  1  0.501  0.241  0.262  1.0
  P  P6  1  0.322  0.795  0.022  1.0
  P  P7  1  0.180  0.312  0.521  1.0
  P  P8  1  0.822  0.205  0.978  1.0
  P  P9  1  0.680  0.688  0.479  1.0
  O  O10  1  0.929  0.104  0.146  1.0
  O  O11  1  0.646  0.538  0.304  1.0
  O  O12  1  0.336  0.970  0.189  1.0
  O  O13  1  0.836  0.030  0.811  1.0
  O  O14  1  0.604  0.563  0.665  1.0
  O  O15  1  0.104  0.437  0.335  1.0
  O  O16  1  0.429  0.896  0.854  1.0
  O  O17  1  0.364  0.286  0.495  1.0
  O  O18  1  0.146  0.462  0.696  1.0
  O  O19  1  0.864  0.714  0.505  1.0
  O  O20  1  0.140  0.795  0.970  1.0
  O  O21  1  0.640  0.205  0.030  1.0
  O  O22  1  0.614  0.982  0.416  1.0
  O  O23  1  0.114  0.018  0.584  1.0
  O  O24  1  0.368  0.493  0.095  1.0
  O  O25  1  0.868  0.507  0.905  1.0
[/CIF]
.