The material described by Li4V2Si(PO6)2 crystallizes in the monoclinic Cc space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(5) atom. In the second Li site, Li(2) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom to form distorted LiO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a faceface with one V(1)O6 octahedra, and  a faceface with one V(2)O6 octahedra. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(10), one O(3), one O(4), one O(6), one O(7), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(10), one O(11), one O(12), and one O(8) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(11), one O(12), one O(3), one O(5), one O(6), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  a faceface with one Li(2)O6 octahedra. In the second V site, V(2) is bonded to one O(1), one O(10), one O(2), one O(4), one O(7), and one O(8) atom to form VO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  a faceface with one Li(2)O6 octahedra. Si(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form SiO4 tetrahedra that share corners with two equivalent 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 31-47°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(12), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent 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 29-46°. In the second P site, P(2) is bonded to one O(10), one O(11), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent 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 29-45°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one V(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one V(2), and one Si(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), one V(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(3), one V(2), and one Si(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one Si(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(3), one V(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal pyramidal geometry to one Li(2), one Li(3), one V(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(4), one V(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(3), one V(1), and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(3), one Li(4), one V(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(4), one V(1), and one P(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(4), one V(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Li4V2Si(PO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.494
_cell_length_b   8.494
_cell_length_c   8.513
_cell_angle_alpha   63.923
_cell_angle_beta   63.923
_cell_angle_gamma   63.976
_symmetry_Int_Tables_number   1
_cell_volume   472.040
_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  0.832  0.735  0.661  1.0
  Li  Li1  1  0.735  0.832  0.161  1.0
  Li  Li2  1  0.513  0.984  0.506  1.0
  Li  Li3  1  0.668  0.353  0.256  1.0
  Li  Li4  1  0.353  0.668  0.756  1.0
  Li  Li5  1  0.258  0.156  0.839  1.0
  Li  Li6  1  0.984  0.513  0.006  1.0
  Li  Li7  1  0.156  0.258  0.339  1.0
  V  V8  1  0.857  0.361  0.857  1.0
  V  V9  1  0.361  0.857  0.357  1.0
  V  V10  1  0.645  0.141  0.638  1.0
  V  V11  1  0.141  0.645  0.138  1.0
  Si  Si12  1  0.548  0.750  0.956  1.0
  Si  Si13  1  0.750  0.548  0.456  1.0
  P  P14  1  0.954  0.045  0.248  1.0
  P  P15  1  0.252  0.450  0.546  1.0
  P  P16  1  0.045  0.954  0.748  1.0
  P  P17  1  0.450  0.252  0.046  1.0
  O  O18  1  0.986  0.887  0.185  1.0
  O  O19  1  0.887  0.986  0.685  1.0
  O  O20  1  0.573  0.908  0.751  1.0
  O  O21  1  0.749  0.586  0.942  1.0
  O  O22  1  0.374  0.695  0.983  1.0
  O  O23  1  0.517  0.813  0.125  1.0
  O  O24  1  0.937  0.236  0.094  1.0
  O  O25  1  0.908  0.573  0.251  1.0
  O  O26  1  0.586  0.749  0.442  1.0
  O  O27  1  0.695  0.374  0.483  1.0
  O  O28  1  0.813  0.517  0.625  1.0
  O  O29  1  0.761  0.066  0.398  1.0
  O  O30  1  0.236  0.937  0.594  1.0
  O  O31  1  0.188  0.480  0.389  1.0
  O  O32  1  0.313  0.610  0.514  1.0
  O  O33  1  0.407  0.259  0.563  1.0
  O  O34  1  0.103  0.425  0.740  1.0
  O  O35  1  0.066  0.761  0.898  1.0
  O  O36  1  0.480  0.188  0.889  1.0
  O  O37  1  0.610  0.313  0.014  1.0
  O  O38  1  0.259  0.407  0.063  1.0
  O  O39  1  0.425  0.103  0.240  1.0
  O  O40  1  0.112  0.015  0.311  1.0
  O  O41  1  0.015  0.112  0.811  1.0
[/CIF]
.
The material described by Li4V2Si(PO6)2 crystallizes in the monoclinic Cc space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(5) atom. In the second Li site, Li(2) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom to form distorted LiO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a faceface with one V(1)O6 octahedra, and  a faceface with one V(2)O6 octahedra. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(10), one O(3), one O(4), one O(6), one O(7), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(10), one O(11), one O(12), and one O(8) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(11), one O(12), one O(3), one O(5), one O(6), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  a faceface with one Li(2)O6 octahedra. In the second V site, V(2) is bonded to one O(1), one O(10), one O(2), one O(4), one O(7), and one O(8) atom to form VO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  a faceface with one Li(2)O6 octahedra. Si(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form SiO4 tetrahedra that share corners with two equivalent 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 31-47°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(12), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent 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 29-46°. In the second P site, P(2) is bonded to one O(10), one O(11), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent 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 29-45°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one V(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one V(2), and one Si(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), one V(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(3), one V(2), and one Si(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one Si(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(3), one V(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal pyramidal geometry to one Li(2), one Li(3), one V(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(4), one V(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(3), one V(1), and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(3), one Li(4), one V(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(4), one V(1), and one P(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(4), one V(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Li4V2Si(PO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.494
_cell_length_b   8.494
_cell_length_c   8.513
_cell_angle_alpha   63.923
_cell_angle_beta   63.923
_cell_angle_gamma   63.976
_symmetry_Int_Tables_number   1
_cell_volume   472.040
_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  0.832  0.735  0.661  1.0
  Li  Li1  1  0.735  0.832  0.161  1.0
  Li  Li2  1  0.513  0.984  0.506  1.0
  Li  Li3  1  0.668  0.353  0.256  1.0
  Li  Li4  1  0.353  0.668  0.756  1.0
  Li  Li5  1  0.258  0.156  0.839  1.0
  Li  Li6  1  0.984  0.513  0.006  1.0
  Li  Li7  1  0.156  0.258  0.339  1.0
  V  V8  1  0.857  0.361  0.857  1.0
  V  V9  1  0.361  0.857  0.357  1.0
  V  V10  1  0.645  0.141  0.638  1.0
  V  V11  1  0.141  0.645  0.138  1.0
  Si  Si12  1  0.548  0.750  0.956  1.0
  Si  Si13  1  0.750  0.548  0.456  1.0
  P  P14  1  0.954  0.045  0.248  1.0
  P  P15  1  0.252  0.450  0.546  1.0
  P  P16  1  0.045  0.954  0.748  1.0
  P  P17  1  0.450  0.252  0.046  1.0
  O  O18  1  0.986  0.887  0.185  1.0
  O  O19  1  0.887  0.986  0.685  1.0
  O  O20  1  0.573  0.908  0.751  1.0
  O  O21  1  0.749  0.586  0.942  1.0
  O  O22  1  0.374  0.695  0.983  1.0
  O  O23  1  0.517  0.813  0.125  1.0
  O  O24  1  0.937  0.236  0.094  1.0
  O  O25  1  0.908  0.573  0.251  1.0
  O  O26  1  0.586  0.749  0.442  1.0
  O  O27  1  0.695  0.374  0.483  1.0
  O  O28  1  0.813  0.517  0.625  1.0
  O  O29  1  0.761  0.066  0.398  1.0
  O  O30  1  0.236  0.937  0.594  1.0
  O  O31  1  0.188  0.480  0.389  1.0
  O  O32  1  0.313  0.610  0.514  1.0
  O  O33  1  0.407  0.259  0.563  1.0
  O  O34  1  0.103  0.425  0.740  1.0
  O  O35  1  0.066  0.761  0.898  1.0
  O  O36  1  0.480  0.188  0.889  1.0
  O  O37  1  0.610  0.313  0.014  1.0
  O  O38  1  0.259  0.407  0.063  1.0
  O  O39  1  0.425  0.103  0.240  1.0
  O  O40  1  0.112  0.015  0.311  1.0
  O  O41  1  0.015  0.112  0.811  1.0
[/CIF]
.