The crystal structure described by LiVOPO4 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted pentagonal planar geometry to one O(2), one O(3), one O(6), one O(8), and one O(9) atom. In the second Li site, Li(2) is bonded to one O(1), one O(5), one O(7), and two equivalent O(4) atoms to form distorted LiO5 square pyramids that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra,  an edgeedge with one Li(2)O5 square pyramid, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-65°. There are two inequivalent V sites. In the first V site, V(1) 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 VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and edges with two equivalent Li(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 38-40°. In the second V site, V(2) is bonded to one O(10), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Li(2)O5 square pyramids, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-40°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  an edgeedge with one Li(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 38-50°. In the second P site, P(2) is bonded to one O(10), one O(3), one O(4), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and corners with two equivalent Li(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 29-56°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(2), one V(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 T-shaped geometry to one Li(1), one V(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(2), one V(1), and one P(2) 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 V(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one V(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(2), one V(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.832
_cell_length_b   7.151
_cell_length_c   8.041
_cell_angle_alpha   89.640
_cell_angle_beta   91.495
_cell_angle_gamma   116.075
_symmetry_Int_Tables_number   1
_cell_volume   352.739
_cell_formula_units_Z   4
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  0.785  0.699  0.921  1.0
  Li  Li1  1  0.215  0.301  0.079  1.0
  Li  Li2  1  0.708  0.187  0.573  1.0
  Li  Li3  1  0.292  0.813  0.427  1.0
  V  V4  1  0.752  0.977  0.235  1.0
  V  V5  1  0.248  0.023  0.765  1.0
  V  V6  1  0.756  0.481  0.263  1.0
  V  V7  1  0.244  0.519  0.737  1.0
  P  P8  1  0.763  0.251  0.912  1.0
  P  P9  1  0.237  0.749  0.088  1.0
  P  P10  1  0.740  0.756  0.586  1.0
  P  P11  1  0.260  0.244  0.414  1.0
  O  O12  1  0.443  0.912  0.179  1.0
  O  O13  1  0.557  0.088  0.821  1.0
  O  O14  1  0.868  0.143  0.029  1.0
  O  O15  1  0.132  0.857  0.971  1.0
  O  O16  1  0.065  0.093  0.306  1.0
  O  O17  1  0.935  0.907  0.694  1.0
  O  O18  1  0.649  0.881  0.473  1.0
  O  O19  1  0.351  0.119  0.527  1.0
  O  O20  1  0.758  0.251  0.326  1.0
  O  O21  1  0.242  0.749  0.674  1.0
  O  O22  1  0.735  0.743  0.168  1.0
  O  O23  1  0.265  0.257  0.832  1.0
  O  O24  1  0.918  0.360  0.768  1.0
  O  O25  1  0.082  0.640  0.232  1.0
  O  O26  1  0.717  0.410  0.014  1.0
  O  O27  1  0.283  0.590  0.986  1.0
  O  O28  1  0.570  0.624  0.715  1.0
  O  O29  1  0.430  0.376  0.285  1.0
  O  O30  1  0.811  0.620  0.479  1.0
  O  O31  1  0.189  0.380  0.521  1.0
[/CIF]
.
The crystal structure described by LiVOPO4 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted pentagonal planar geometry to one O(2), one O(3), one O(6), one O(8), and one O(9) atom. In the second Li site, Li(2) is bonded to one O(1), one O(5), one O(7), and two equivalent O(4) atoms to form distorted LiO5 square pyramids that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra,  an edgeedge with one Li(2)O5 square pyramid, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-65°. There are two inequivalent V sites. In the first V site, V(1) 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 VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and edges with two equivalent Li(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 38-40°. In the second V site, V(2) is bonded to one O(10), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Li(2)O5 square pyramids, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-40°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  an edgeedge with one Li(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 38-50°. In the second P site, P(2) is bonded to one O(10), one O(3), one O(4), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and corners with two equivalent Li(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 29-56°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(2), one V(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 T-shaped geometry to one Li(1), one V(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(2), one V(1), and one P(2) 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 V(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one V(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(2), one V(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.832
_cell_length_b   7.151
_cell_length_c   8.041
_cell_angle_alpha   89.640
_cell_angle_beta   91.495
_cell_angle_gamma   116.075
_symmetry_Int_Tables_number   1
_cell_volume   352.739
_cell_formula_units_Z   4
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  0.785  0.699  0.921  1.0
  Li  Li1  1  0.215  0.301  0.079  1.0
  Li  Li2  1  0.708  0.187  0.573  1.0
  Li  Li3  1  0.292  0.813  0.427  1.0
  V  V4  1  0.752  0.977  0.235  1.0
  V  V5  1  0.248  0.023  0.765  1.0
  V  V6  1  0.756  0.481  0.263  1.0
  V  V7  1  0.244  0.519  0.737  1.0
  P  P8  1  0.763  0.251  0.912  1.0
  P  P9  1  0.237  0.749  0.088  1.0
  P  P10  1  0.740  0.756  0.586  1.0
  P  P11  1  0.260  0.244  0.414  1.0
  O  O12  1  0.443  0.912  0.179  1.0
  O  O13  1  0.557  0.088  0.821  1.0
  O  O14  1  0.868  0.143  0.029  1.0
  O  O15  1  0.132  0.857  0.971  1.0
  O  O16  1  0.065  0.093  0.306  1.0
  O  O17  1  0.935  0.907  0.694  1.0
  O  O18  1  0.649  0.881  0.473  1.0
  O  O19  1  0.351  0.119  0.527  1.0
  O  O20  1  0.758  0.251  0.326  1.0
  O  O21  1  0.242  0.749  0.674  1.0
  O  O22  1  0.735  0.743  0.168  1.0
  O  O23  1  0.265  0.257  0.832  1.0
  O  O24  1  0.918  0.360  0.768  1.0
  O  O25  1  0.082  0.640  0.232  1.0
  O  O26  1  0.717  0.410  0.014  1.0
  O  O27  1  0.283  0.590  0.986  1.0
  O  O28  1  0.570  0.624  0.715  1.0
  O  O29  1  0.430  0.376  0.285  1.0
  O  O30  1  0.811  0.620  0.479  1.0
  O  O31  1  0.189  0.380  0.521  1.0
[/CIF]
.