The compound described by Li7V4(PO4)6 crystallizes in the trigonal R3 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-67°. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one O(4), one O(6), and one O(7) atom. In the third Li site, Li(3) is bonded in a distorted T-shaped geometry to three equivalent O(6) atoms. There are four inequivalent V sites. In the first V site, V(1) is bonded to three equivalent O(4) and three equivalent O(6) atoms to form distorted VO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the second V site, V(2) is bonded to three equivalent O(3) and three equivalent O(5) atoms to form VO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and corners with three equivalent P(2)O4 tetrahedra. In the third V site, V(3) is bonded to three equivalent O(2) and three equivalent O(8) atoms to form VO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with three equivalent Li(1)O4 tetrahedra. In the fourth V site, V(4) is bonded to three equivalent O(1) and three equivalent O(7) atoms to form VO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and corners with three equivalent P(2)O4 tetrahedra. 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 V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, and corners with three equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-52°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, and  a cornercorner with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-50°. There are eight inequivalent O sites. In the first O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(2), one V(4), and one P(2) atom. In the second O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one P(1) atom. In the third O site, O(8) is bonded in a distorted T-shaped geometry to one Li(1), one V(3), and one P(2) atom. In the fourth O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(4), and one P(1) atom. In the fifth O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one V(3), and one P(1) atom. In the sixth O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one P(1) atom. In the seventh O site, O(5) is bonded in a distorted bent 150 degrees geometry to one V(2) and one P(2) atom. In the eighth O site, O(6) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one V(1), and one P(2) atom. is represented by the CIF file [CIF]
data_Li7V4(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.521
_cell_length_b   8.521
_cell_length_c   9.059
_cell_angle_alpha   61.945
_cell_angle_beta   118.055
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   478.340
_cell_formula_units_Z   1
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  0.659  0.727  0.855  1.0
  Li  Li1  1  0.273  0.077  0.855  1.0
  Li  Li2  1  0.923  0.341  0.855  1.0
  Li  Li3  1  0.174  0.582  0.346  1.0
  Li  Li4  1  0.034  0.966  0.101  1.0
  Li  Li5  1  0.755  0.826  0.346  1.0
  Li  Li6  1  0.418  0.245  0.346  1.0
  V  V7  1  0.149  0.851  0.448  1.0
  V  V8  1  0.857  0.143  0.572  1.0
  V  V9  1  0.652  0.348  0.957  1.0
  V  V10  1  0.347  0.653  0.042  1.0
  P  P11  1  0.249  0.454  0.753  1.0
  P  P12  1  0.957  0.751  0.753  1.0
  P  P13  1  0.546  0.043  0.753  1.0
  P  P14  1  0.459  0.959  0.247  1.0
  P  P15  1  0.041  0.254  0.247  1.0
  P  P16  1  0.746  0.541  0.247  1.0
  O  O17  1  0.163  0.798  0.885  1.0
  O  O18  1  0.520  0.837  0.885  1.0
  O  O19  1  0.202  0.480  0.885  1.0
  O  O20  1  0.463  0.486  0.811  1.0
  O  O21  1  0.125  0.244  0.749  1.0
  O  O22  1  0.199  0.591  0.569  1.0
  O  O23  1  0.868  0.875  0.749  1.0
  O  O24  1  0.834  0.537  0.811  1.0
  O  O25  1  0.514  0.166  0.811  1.0
  O  O26  1  0.614  0.994  0.418  1.0
  O  O27  1  0.254  0.867  0.259  1.0
  O  O28  1  0.006  0.203  0.418  1.0
  O  O29  1  0.962  0.801  0.569  1.0
  O  O30  1  0.756  0.132  0.749  1.0
  O  O31  1  0.409  0.038  0.569  1.0
  O  O32  1  0.493  0.821  0.206  1.0
  O  O33  1  0.179  0.466  0.206  1.0
  O  O34  1  0.133  0.128  0.259  1.0
  O  O35  1  0.797  0.386  0.418  1.0
  O  O36  1  0.872  0.746  0.259  1.0
  O  O37  1  0.534  0.507  0.206  1.0
  O  O38  1  0.778  0.535  0.094  1.0
  O  O39  1  0.465  0.149  0.094  1.0
  O  O40  1  0.851  0.222  0.094  1.0
[/CIF]
.
The compound described by Li7V4(PO4)6 crystallizes in the trigonal R3 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-67°. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one O(4), one O(6), and one O(7) atom. In the third Li site, Li(3) is bonded in a distorted T-shaped geometry to three equivalent O(6) atoms. There are four inequivalent V sites. In the first V site, V(1) is bonded to three equivalent O(4) and three equivalent O(6) atoms to form distorted VO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the second V site, V(2) is bonded to three equivalent O(3) and three equivalent O(5) atoms to form VO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and corners with three equivalent P(2)O4 tetrahedra. In the third V site, V(3) is bonded to three equivalent O(2) and three equivalent O(8) atoms to form VO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with three equivalent Li(1)O4 tetrahedra. In the fourth V site, V(4) is bonded to three equivalent O(1) and three equivalent O(7) atoms to form VO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and corners with three equivalent P(2)O4 tetrahedra. 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 V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, and corners with three equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-52°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, and  a cornercorner with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-50°. There are eight inequivalent O sites. In the first O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(2), one V(4), and one P(2) atom. In the second O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one P(1) atom. In the third O site, O(8) is bonded in a distorted T-shaped geometry to one Li(1), one V(3), and one P(2) atom. In the fourth O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(4), and one P(1) atom. In the fifth O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one V(3), and one P(1) atom. In the sixth O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one P(1) atom. In the seventh O site, O(5) is bonded in a distorted bent 150 degrees geometry to one V(2) and one P(2) atom. In the eighth O site, O(6) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one V(1), and one P(2) atom. is represented by the CIF file [CIF]
data_Li7V4(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.521
_cell_length_b   8.521
_cell_length_c   9.059
_cell_angle_alpha   61.945
_cell_angle_beta   118.055
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   478.340
_cell_formula_units_Z   1
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  0.659  0.727  0.855  1.0
  Li  Li1  1  0.273  0.077  0.855  1.0
  Li  Li2  1  0.923  0.341  0.855  1.0
  Li  Li3  1  0.174  0.582  0.346  1.0
  Li  Li4  1  0.034  0.966  0.101  1.0
  Li  Li5  1  0.755  0.826  0.346  1.0
  Li  Li6  1  0.418  0.245  0.346  1.0
  V  V7  1  0.149  0.851  0.448  1.0
  V  V8  1  0.857  0.143  0.572  1.0
  V  V9  1  0.652  0.348  0.957  1.0
  V  V10  1  0.347  0.653  0.042  1.0
  P  P11  1  0.249  0.454  0.753  1.0
  P  P12  1  0.957  0.751  0.753  1.0
  P  P13  1  0.546  0.043  0.753  1.0
  P  P14  1  0.459  0.959  0.247  1.0
  P  P15  1  0.041  0.254  0.247  1.0
  P  P16  1  0.746  0.541  0.247  1.0
  O  O17  1  0.163  0.798  0.885  1.0
  O  O18  1  0.520  0.837  0.885  1.0
  O  O19  1  0.202  0.480  0.885  1.0
  O  O20  1  0.463  0.486  0.811  1.0
  O  O21  1  0.125  0.244  0.749  1.0
  O  O22  1  0.199  0.591  0.569  1.0
  O  O23  1  0.868  0.875  0.749  1.0
  O  O24  1  0.834  0.537  0.811  1.0
  O  O25  1  0.514  0.166  0.811  1.0
  O  O26  1  0.614  0.994  0.418  1.0
  O  O27  1  0.254  0.867  0.259  1.0
  O  O28  1  0.006  0.203  0.418  1.0
  O  O29  1  0.962  0.801  0.569  1.0
  O  O30  1  0.756  0.132  0.749  1.0
  O  O31  1  0.409  0.038  0.569  1.0
  O  O32  1  0.493  0.821  0.206  1.0
  O  O33  1  0.179  0.466  0.206  1.0
  O  O34  1  0.133  0.128  0.259  1.0
  O  O35  1  0.797  0.386  0.418  1.0
  O  O36  1  0.872  0.746  0.259  1.0
  O  O37  1  0.534  0.507  0.206  1.0
  O  O38  1  0.778  0.535  0.094  1.0
  O  O39  1  0.465  0.149  0.094  1.0
  O  O40  1  0.851  0.222  0.094  1.0
[/CIF]
.