The structure described by Li2VPO4O crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(3), two equivalent O(8), and two equivalent O(9) atoms to form LiO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and faces with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 40°. In the second Li site, Li(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and faces with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(3), one O(4), one O(6), one O(8), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(5), and two equivalent O(10) atoms. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(8), one O(9), and two equivalent O(1) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(4), one O(5), one O(6), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent V(2)O6 octahedra, 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 40-54°. In the second V site, V(2) is bonded to one O(2), one O(3), one O(5), 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 P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a faceface with one Li(1)O6 octahedra, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-54°. There are two inequivalent P sites. In the first P site, 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  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and corners with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-49°. In the second P site, P(2) is bonded to one O(10), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and corners with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-51°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(4), two equivalent Li(5), one V(1), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one V(2), and one P(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), one Li(5), one V(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Li(3), one Li(5), one V(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one V(1), and one V(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(3), one V(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(2), one V(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted pentagonal planar geometry to one Li(1), one Li(3), one Li(5), one V(1), and one V(2) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), one Li(5), one V(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(4), one V(1), and one P(2) atom. is represented by the CIF file [CIF]
data_Li2VPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.195
_cell_length_b   7.329
_cell_length_c   7.868
_cell_angle_alpha   90.126
_cell_angle_beta   90.459
_cell_angle_gamma   116.167
_symmetry_Int_Tables_number   1
_cell_volume   372.392
_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  0.500  0.500  0.500  1.0
  Li  Li1  1  0.500  0.000  0.000  1.0
  Li  Li2  1  0.259  0.123  0.558  1.0
  Li  Li3  1  0.741  0.877  0.442  1.0
  Li  Li4  1  0.821  0.361  0.944  1.0
  Li  Li5  1  0.179  0.639  0.056  1.0
  Li  Li6  1  0.142  0.407  0.560  1.0
  Li  Li7  1  0.858  0.593  0.440  1.0
  V  V8  1  0.007  0.766  0.757  1.0
  V  V9  1  0.993  0.234  0.243  1.0
  V  V10  1  0.505  0.748  0.754  1.0
  V  V11  1  0.495  0.252  0.246  1.0
  P  P12  1  0.746  0.232  0.615  1.0
  P  P13  1  0.254  0.768  0.385  1.0
  P  P14  1  0.245  0.268  0.886  1.0
  P  P15  1  0.755  0.732  0.114  1.0
  O  O16  1  0.095  0.560  0.307  1.0
  O  O17  1  0.905  0.440  0.693  1.0
  O  O18  1  0.649  0.076  0.757  1.0
  O  O19  1  0.351  0.924  0.243  1.0
  O  O20  1  0.417  0.730  0.490  1.0
  O  O21  1  0.583  0.270  0.510  1.0
  O  O22  1  0.873  0.163  0.494  1.0
  O  O23  1  0.127  0.837  0.506  1.0
  O  O24  1  0.736  0.231  0.159  1.0
  O  O25  1  0.264  0.769  0.841  1.0
  O  O26  1  0.114  0.072  0.783  1.0
  O  O27  1  0.886  0.928  0.217  1.0
  O  O28  1  0.414  0.243  0.991  1.0
  O  O29  1  0.586  0.757  0.009  1.0
  O  O30  1  0.741  0.721  0.643  1.0
  O  O31  1  0.259  0.279  0.357  1.0
  O  O32  1  0.657  0.569  0.258  1.0
  O  O33  1  0.343  0.431  0.742  1.0
  O  O34  1  0.110  0.334  0.001  1.0
  O  O35  1  0.890  0.666  0.999  1.0
[/CIF]
.
The structure described by Li2VPO4O crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(3), two equivalent O(8), and two equivalent O(9) atoms to form LiO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and faces with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 40°. In the second Li site, Li(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and faces with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(3), one O(4), one O(6), one O(8), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(5), and two equivalent O(10) atoms. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(8), one O(9), and two equivalent O(1) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(4), one O(5), one O(6), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent V(2)O6 octahedra, 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 40-54°. In the second V site, V(2) is bonded to one O(2), one O(3), one O(5), 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 P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a faceface with one Li(1)O6 octahedra, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-54°. There are two inequivalent P sites. In the first P site, 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  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and corners with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-49°. In the second P site, P(2) is bonded to one O(10), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and corners with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-51°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(4), two equivalent Li(5), one V(1), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one V(2), and one P(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), one Li(5), one V(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Li(3), one Li(5), one V(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one V(1), and one V(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(3), one V(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(2), one V(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted pentagonal planar geometry to one Li(1), one Li(3), one Li(5), one V(1), and one V(2) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), one Li(5), one V(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(4), one V(1), and one P(2) atom. is represented by the CIF file [CIF]
data_Li2VPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.195
_cell_length_b   7.329
_cell_length_c   7.868
_cell_angle_alpha   90.126
_cell_angle_beta   90.459
_cell_angle_gamma   116.167
_symmetry_Int_Tables_number   1
_cell_volume   372.392
_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  0.500  0.500  0.500  1.0
  Li  Li1  1  0.500  0.000  0.000  1.0
  Li  Li2  1  0.259  0.123  0.558  1.0
  Li  Li3  1  0.741  0.877  0.442  1.0
  Li  Li4  1  0.821  0.361  0.944  1.0
  Li  Li5  1  0.179  0.639  0.056  1.0
  Li  Li6  1  0.142  0.407  0.560  1.0
  Li  Li7  1  0.858  0.593  0.440  1.0
  V  V8  1  0.007  0.766  0.757  1.0
  V  V9  1  0.993  0.234  0.243  1.0
  V  V10  1  0.505  0.748  0.754  1.0
  V  V11  1  0.495  0.252  0.246  1.0
  P  P12  1  0.746  0.232  0.615  1.0
  P  P13  1  0.254  0.768  0.385  1.0
  P  P14  1  0.245  0.268  0.886  1.0
  P  P15  1  0.755  0.732  0.114  1.0
  O  O16  1  0.095  0.560  0.307  1.0
  O  O17  1  0.905  0.440  0.693  1.0
  O  O18  1  0.649  0.076  0.757  1.0
  O  O19  1  0.351  0.924  0.243  1.0
  O  O20  1  0.417  0.730  0.490  1.0
  O  O21  1  0.583  0.270  0.510  1.0
  O  O22  1  0.873  0.163  0.494  1.0
  O  O23  1  0.127  0.837  0.506  1.0
  O  O24  1  0.736  0.231  0.159  1.0
  O  O25  1  0.264  0.769  0.841  1.0
  O  O26  1  0.114  0.072  0.783  1.0
  O  O27  1  0.886  0.928  0.217  1.0
  O  O28  1  0.414  0.243  0.991  1.0
  O  O29  1  0.586  0.757  0.009  1.0
  O  O30  1  0.741  0.721  0.643  1.0
  O  O31  1  0.259  0.279  0.357  1.0
  O  O32  1  0.657  0.569  0.258  1.0
  O  O33  1  0.343  0.431  0.742  1.0
  O  O34  1  0.110  0.334  0.001  1.0
  O  O35  1  0.890  0.666  0.999  1.0
[/CIF]
.