The compound described by LiVOPO4 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(6), one O(7), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-66°. In the second Li site, Li(2) is bonded to one O(10), one O(2), one O(5), and one O(9) atom to form LiO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-65°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(2), one O(3), one O(4), and one O(8) atom to form distorted VO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(5), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one V(2)O6 octahedra. In the second P site, P(2) is bonded to one O(10), one O(4), one O(6), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one V(2)O6 octahedra. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one V(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 V(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Li(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Li(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(1), and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(2), one V(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one V(1), 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   5.114
_cell_length_b   5.969
_cell_length_c   8.013
_cell_angle_alpha   111.755
_cell_angle_beta   79.862
_cell_angle_gamma   90.190
_symmetry_Int_Tables_number   1
_cell_volume   223.109
_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  0.052  0.862  0.725  1.0
  Li  Li1  1  0.943  0.136  0.276  1.0
  V  V2  1  0.501  0.781  0.998  1.0
  V  V3  1  0.500  0.242  0.005  1.0
  P  P4  1  0.722  0.358  0.719  1.0
  P  P5  1  0.279  0.643  0.282  1.0
  O  O6  1  0.334  0.917  0.888  1.0
  O  O7  1  0.670  0.031  0.107  1.0
  O  O8  1  0.422  0.421  0.838  1.0
  O  O9  1  0.580  0.590  0.167  1.0
  O  O10  1  0.756  0.275  0.517  1.0
  O  O11  1  0.238  0.756  0.483  1.0
  O  O12  1  0.822  0.174  0.795  1.0
  O  O13  1  0.821  0.622  0.813  1.0
  O  O14  1  0.178  0.381  0.201  1.0
  O  O15  1  0.181  0.811  0.186  1.0
[/CIF]
.
The compound described by LiVOPO4 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(6), one O(7), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-66°. In the second Li site, Li(2) is bonded to one O(10), one O(2), one O(5), and one O(9) atom to form LiO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-65°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(2), one O(3), one O(4), and one O(8) atom to form distorted VO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(5), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one V(2)O6 octahedra. In the second P site, P(2) is bonded to one O(10), one O(4), one O(6), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one V(2)O6 octahedra. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one V(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 V(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Li(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Li(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(1), and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(2), one V(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one V(1), 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   5.114
_cell_length_b   5.969
_cell_length_c   8.013
_cell_angle_alpha   111.755
_cell_angle_beta   79.862
_cell_angle_gamma   90.190
_symmetry_Int_Tables_number   1
_cell_volume   223.109
_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  0.052  0.862  0.725  1.0
  Li  Li1  1  0.943  0.136  0.276  1.0
  V  V2  1  0.501  0.781  0.998  1.0
  V  V3  1  0.500  0.242  0.005  1.0
  P  P4  1  0.722  0.358  0.719  1.0
  P  P5  1  0.279  0.643  0.282  1.0
  O  O6  1  0.334  0.917  0.888  1.0
  O  O7  1  0.670  0.031  0.107  1.0
  O  O8  1  0.422  0.421  0.838  1.0
  O  O9  1  0.580  0.590  0.167  1.0
  O  O10  1  0.756  0.275  0.517  1.0
  O  O11  1  0.238  0.756  0.483  1.0
  O  O12  1  0.822  0.174  0.795  1.0
  O  O13  1  0.821  0.622  0.813  1.0
  O  O14  1  0.178  0.381  0.201  1.0
  O  O15  1  0.181  0.811  0.186  1.0
[/CIF]
.