The material structure described by Li5VO(PO4)2 is Aluminum carbonitride-derived structured and crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent O(2) atoms to form distorted LiO4 trigonal pyramids that share corners with four equivalent P(1)O4 tetrahedra and edges with four equivalent Li(2)O5 trigonal bipyramids. In the second Li site, Li(2) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted LiO5 trigonal bipyramids that share corners with four equivalent P(1)O4 tetrahedra, corners with seven equivalent Li(2)O5 trigonal bipyramids, edges with two equivalent V(1)O6 octahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. V(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with eight equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedra are not tilted. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with eight equivalent Li(2)O5 trigonal bipyramids, and corners with two equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 46°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Li(2), one V(1), and one P(1) atom. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), and one P(1) atom to form distorted OLi3P tetrahedra that share corners with two equivalent O(3)Li4V2 octahedra, corners with two equivalent O(2)Li3P tetrahedra, and edges with two equivalent O(2)Li3P tetrahedra. The corner-sharing octahedral tilt angles are 50°. In the third O site, O(3) is bonded to four equivalent Li(2) and two equivalent V(1) atoms to form OLi4V2 octahedra that share corners with two equivalent O(3)Li4V2 octahedra and corners with eight equivalent O(2)Li3P tetrahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Li5VP2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.717
_cell_length_b   7.717
_cell_length_c   7.717
_cell_angle_alpha   105.388
_cell_angle_beta   105.388
_cell_angle_gamma   117.989
_symmetry_Int_Tables_number   1
_cell_volume   347.768
_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  0.750  0.250  0.500  1.0
  Li  Li1  1  0.750  0.525  0.775  1.0
  Li  Li2  1  0.975  0.750  0.225  1.0
  Li  Li3  1  0.525  0.750  0.775  1.0
  Li  Li4  1  0.250  0.025  0.775  1.0
  Li  Li5  1  0.025  0.250  0.775  1.0
  Li  Li6  1  0.250  0.750  0.500  1.0
  Li  Li7  1  0.250  0.475  0.225  1.0
  Li  Li8  1  0.750  0.975  0.225  1.0
  Li  Li9  1  0.475  0.250  0.225  1.0
  V  V10  1  0.500  0.500  0.000  1.0
  V  V11  1  0.000  0.000  0.000  1.0
  P  P12  1  0.793  0.293  0.086  1.0
  P  P13  1  0.207  0.707  0.914  1.0
  P  P14  1  0.293  0.207  0.500  1.0
  P  P15  1  0.707  0.793  0.500  1.0
  O  O16  1  0.872  0.819  0.691  1.0
  O  O17  1  0.520  0.300  0.500  1.0
  O  O18  1  0.020  0.520  0.220  1.0
  O  O19  1  0.372  0.681  0.054  1.0
  O  O20  1  0.319  0.372  0.691  1.0
  O  O21  1  0.700  0.200  0.220  1.0
  O  O22  1  0.480  0.700  0.500  1.0
  O  O23  1  0.128  0.181  0.309  1.0
  O  O24  1  0.181  0.872  0.054  1.0
  O  O25  1  0.200  0.980  0.500  1.0
  O  O26  1  0.250  0.250  0.000  1.0
  O  O27  1  0.980  0.480  0.780  1.0
  O  O28  1  0.681  0.628  0.309  1.0
  O  O29  1  0.819  0.128  0.946  1.0
  O  O30  1  0.750  0.750  0.000  1.0
  O  O31  1  0.300  0.800  0.780  1.0
  O  O32  1  0.800  0.020  0.500  1.0
  O  O33  1  0.628  0.319  0.946  1.0
[/CIF]
.
The material structure described by Li5VO(PO4)2 is Aluminum carbonitride-derived structured and crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent O(2) atoms to form distorted LiO4 trigonal pyramids that share corners with four equivalent P(1)O4 tetrahedra and edges with four equivalent Li(2)O5 trigonal bipyramids. In the second Li site, Li(2) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted LiO5 trigonal bipyramids that share corners with four equivalent P(1)O4 tetrahedra, corners with seven equivalent Li(2)O5 trigonal bipyramids, edges with two equivalent V(1)O6 octahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. V(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with eight equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedra are not tilted. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with eight equivalent Li(2)O5 trigonal bipyramids, and corners with two equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 46°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Li(2), one V(1), and one P(1) atom. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), and one P(1) atom to form distorted OLi3P tetrahedra that share corners with two equivalent O(3)Li4V2 octahedra, corners with two equivalent O(2)Li3P tetrahedra, and edges with two equivalent O(2)Li3P tetrahedra. The corner-sharing octahedral tilt angles are 50°. In the third O site, O(3) is bonded to four equivalent Li(2) and two equivalent V(1) atoms to form OLi4V2 octahedra that share corners with two equivalent O(3)Li4V2 octahedra and corners with eight equivalent O(2)Li3P tetrahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Li5VP2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.717
_cell_length_b   7.717
_cell_length_c   7.717
_cell_angle_alpha   105.388
_cell_angle_beta   105.388
_cell_angle_gamma   117.989
_symmetry_Int_Tables_number   1
_cell_volume   347.768
_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  0.750  0.250  0.500  1.0
  Li  Li1  1  0.750  0.525  0.775  1.0
  Li  Li2  1  0.975  0.750  0.225  1.0
  Li  Li3  1  0.525  0.750  0.775  1.0
  Li  Li4  1  0.250  0.025  0.775  1.0
  Li  Li5  1  0.025  0.250  0.775  1.0
  Li  Li6  1  0.250  0.750  0.500  1.0
  Li  Li7  1  0.250  0.475  0.225  1.0
  Li  Li8  1  0.750  0.975  0.225  1.0
  Li  Li9  1  0.475  0.250  0.225  1.0
  V  V10  1  0.500  0.500  0.000  1.0
  V  V11  1  0.000  0.000  0.000  1.0
  P  P12  1  0.793  0.293  0.086  1.0
  P  P13  1  0.207  0.707  0.914  1.0
  P  P14  1  0.293  0.207  0.500  1.0
  P  P15  1  0.707  0.793  0.500  1.0
  O  O16  1  0.872  0.819  0.691  1.0
  O  O17  1  0.520  0.300  0.500  1.0
  O  O18  1  0.020  0.520  0.220  1.0
  O  O19  1  0.372  0.681  0.054  1.0
  O  O20  1  0.319  0.372  0.691  1.0
  O  O21  1  0.700  0.200  0.220  1.0
  O  O22  1  0.480  0.700  0.500  1.0
  O  O23  1  0.128  0.181  0.309  1.0
  O  O24  1  0.181  0.872  0.054  1.0
  O  O25  1  0.200  0.980  0.500  1.0
  O  O26  1  0.250  0.250  0.000  1.0
  O  O27  1  0.980  0.480  0.780  1.0
  O  O28  1  0.681  0.628  0.309  1.0
  O  O29  1  0.819  0.128  0.946  1.0
  O  O30  1  0.750  0.750  0.000  1.0
  O  O31  1  0.300  0.800  0.780  1.0
  O  O32  1  0.800  0.020  0.500  1.0
  O  O33  1  0.628  0.319  0.946  1.0
[/CIF]
.