The structure described by LiVPO4 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted LiO4 tetrahedra that share corners with six equivalent V(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 73-79°. V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, corners with six equivalent P(1)O4 tetrahedra, and edges with two equivalent V(1)O6 octahedra. P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with six equivalent V(1)O6 octahedra and corners with four equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-55°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent V(1), and one P(1) atom to form a mixture of distorted corner and edge-sharing OLiV2P tetrahedra. In the second O site, O(2) is bonded to one Li(1), two equivalent V(1), and one P(1) atom to form a mixture of distorted corner and edge-sharing OLiV2P trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(1) atom. is represented by the CIF card [CIF]
data_LiVPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.985
_cell_length_b   9.419
_cell_length_c   6.320
_cell_angle_alpha   90.000
_cell_angle_beta   90.003
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   296.725
_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  0.484  0.171  0.750  1.0
  Li  Li1  1  0.984  0.329  0.250  1.0
  Li  Li2  1  0.016  0.670  0.750  1.0
  Li  Li3  1  0.516  0.830  0.250  1.0
  V  V4  1  0.000  1.000  0.500  1.0
  V  V5  1  0.500  0.500  0.500  1.0
  V  V6  1  0.000  0.000  1.000  1.0
  V  V7  1  0.500  0.500  0.000  1.0
  P  P8  1  0.485  0.178  0.250  1.0
  P  P9  1  0.985  0.322  0.750  1.0
  P  P10  1  0.015  0.678  0.250  1.0
  P  P11  1  0.514  0.822  0.750  1.0
  O  O12  1  0.792  0.137  0.250  1.0
  O  O13  1  0.292  0.362  0.750  1.0
  O  O14  1  0.707  0.638  0.250  1.0
  O  O15  1  0.207  0.862  0.750  1.0
  O  O16  1  0.935  0.156  0.750  1.0
  O  O17  1  0.435  0.344  0.250  1.0
  O  O18  1  0.564  0.656  0.750  1.0
  O  O19  1  0.064  0.844  0.250  1.0
  O  O20  1  0.355  0.121  0.047  1.0
  O  O21  1  0.355  0.121  0.453  1.0
  O  O22  1  0.855  0.379  0.953  1.0
  O  O23  1  0.855  0.379  0.547  1.0
  O  O24  1  0.145  0.621  0.047  1.0
  O  O25  1  0.145  0.621  0.453  1.0
  O  O26  1  0.645  0.879  0.547  1.0
  O  O27  1  0.645  0.879  0.953  1.0
[/CIF]
.
The structure described by LiVPO4 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted LiO4 tetrahedra that share corners with six equivalent V(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 73-79°. V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, corners with six equivalent P(1)O4 tetrahedra, and edges with two equivalent V(1)O6 octahedra. P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with six equivalent V(1)O6 octahedra and corners with four equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-55°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent V(1), and one P(1) atom to form a mixture of distorted corner and edge-sharing OLiV2P tetrahedra. In the second O site, O(2) is bonded to one Li(1), two equivalent V(1), and one P(1) atom to form a mixture of distorted corner and edge-sharing OLiV2P trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(1) atom. is represented by the CIF card [CIF]
data_LiVPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.985
_cell_length_b   9.419
_cell_length_c   6.320
_cell_angle_alpha   90.000
_cell_angle_beta   90.003
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   296.725
_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  0.484  0.171  0.750  1.0
  Li  Li1  1  0.984  0.329  0.250  1.0
  Li  Li2  1  0.016  0.670  0.750  1.0
  Li  Li3  1  0.516  0.830  0.250  1.0
  V  V4  1  0.000  1.000  0.500  1.0
  V  V5  1  0.500  0.500  0.500  1.0
  V  V6  1  0.000  0.000  1.000  1.0
  V  V7  1  0.500  0.500  0.000  1.0
  P  P8  1  0.485  0.178  0.250  1.0
  P  P9  1  0.985  0.322  0.750  1.0
  P  P10  1  0.015  0.678  0.250  1.0
  P  P11  1  0.514  0.822  0.750  1.0
  O  O12  1  0.792  0.137  0.250  1.0
  O  O13  1  0.292  0.362  0.750  1.0
  O  O14  1  0.707  0.638  0.250  1.0
  O  O15  1  0.207  0.862  0.750  1.0
  O  O16  1  0.935  0.156  0.750  1.0
  O  O17  1  0.435  0.344  0.250  1.0
  O  O18  1  0.564  0.656  0.750  1.0
  O  O19  1  0.064  0.844  0.250  1.0
  O  O20  1  0.355  0.121  0.047  1.0
  O  O21  1  0.355  0.121  0.453  1.0
  O  O22  1  0.855  0.379  0.953  1.0
  O  O23  1  0.855  0.379  0.547  1.0
  O  O24  1  0.145  0.621  0.047  1.0
  O  O25  1  0.145  0.621  0.453  1.0
  O  O26  1  0.645  0.879  0.547  1.0
  O  O27  1  0.645  0.879  0.953  1.0
[/CIF]
.