The structure described by Li2VOP2O7 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(2), one O(4), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded to one O(1), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form distorted LiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with two equivalent V(1)O6 octahedra. 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, corners with three equivalent P(2)O4 tetrahedra, and edges with two equivalent Li(2)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra and corners with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. In the second P site, P(2) is bonded to one O(1), one O(3), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra and corners with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-60°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to 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(1), one V(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(2) 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(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one V(1), 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(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one V(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one V(1), and one P(2) 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   4.832
_cell_length_b   4.837
_cell_length_c   6.502
_cell_angle_alpha   87.992
_cell_angle_beta   87.971
_cell_angle_gamma   67.015
_symmetry_Int_Tables_number   1
_cell_volume   139.753
_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  0.321  0.820  0.715  1.0
  Li  Li1  1  0.996  0.495  0.477  1.0
  O  O2  1  0.763  0.264  0.577  1.0
  O  O3  1  0.234  0.735  0.039  1.0
  O  O4  1  0.765  0.265  0.965  1.0
  O  O5  1  0.247  0.749  0.434  1.0
  O  O6  1  0.699  0.723  0.215  1.0
  O  O7  1  0.222  0.199  0.214  1.0
  O  O8  1  0.773  0.803  0.785  1.0
  O  O9  1  0.302  0.272  0.786  1.0
  P  P10  1  0.346  0.846  0.232  1.0
  P  P11  1  0.657  0.157  0.771  1.0
  V  V12  1  0.995  0.494  0.008  1.0
[/CIF]
.
The structure described by Li2VOP2O7 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(2), one O(4), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded to one O(1), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form distorted LiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with two equivalent V(1)O6 octahedra. 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, corners with three equivalent P(2)O4 tetrahedra, and edges with two equivalent Li(2)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra and corners with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. In the second P site, P(2) is bonded to one O(1), one O(3), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra and corners with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-60°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to 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(1), one V(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(2) 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(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one V(1), 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(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one V(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one V(1), and one P(2) 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   4.832
_cell_length_b   4.837
_cell_length_c   6.502
_cell_angle_alpha   87.992
_cell_angle_beta   87.971
_cell_angle_gamma   67.015
_symmetry_Int_Tables_number   1
_cell_volume   139.753
_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  0.321  0.820  0.715  1.0
  Li  Li1  1  0.996  0.495  0.477  1.0
  O  O2  1  0.763  0.264  0.577  1.0
  O  O3  1  0.234  0.735  0.039  1.0
  O  O4  1  0.765  0.265  0.965  1.0
  O  O5  1  0.247  0.749  0.434  1.0
  O  O6  1  0.699  0.723  0.215  1.0
  O  O7  1  0.222  0.199  0.214  1.0
  O  O8  1  0.773  0.803  0.785  1.0
  O  O9  1  0.302  0.272  0.786  1.0
  P  P10  1  0.346  0.846  0.232  1.0
  P  P11  1  0.657  0.157  0.771  1.0
  V  V12  1  0.995  0.494  0.008  1.0
[/CIF]
.