The compound described by Li4V2(PO4)3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(2), one O(4), one O(5), and one O(6) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(5) atom. V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with four equivalent P(1)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(6) atom to form PO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-50°. In the second P site, P(2) is bonded to two equivalent O(4) and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-38°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one P(1) atom. In the second O site, O(2) is bonded to one Li(1), one Li(2), one V(1), and one P(1) atom to form a mixture of distorted corner and edge-sharing OLi2VP trigonal pyramids. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(2), one V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(2) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one V(1), and one P(2) atom to form a mixture of distorted corner and edge-sharing OLi2VP tetrahedra. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(1), and one P(1) atom. is represented by the CIF card [CIF]
data_Li4V2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.834
_cell_length_b   8.834
_cell_length_c   8.624
_cell_angle_alpha   61.438
_cell_angle_beta   61.438
_cell_angle_gamma   62.177
_symmetry_Int_Tables_number   1
_cell_volume   493.802
_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  0.206  0.209  0.452  1.0
  Li  Li1  1  0.791  0.794  0.048  1.0
  Li  Li2  1  0.427  0.807  0.701  1.0
  Li  Li3  1  0.807  0.427  0.201  1.0
  Li  Li4  1  0.193  0.573  0.799  1.0
  Li  Li5  1  0.573  0.193  0.299  1.0
  Li  Li6  1  0.209  0.206  0.952  1.0
  Li  Li7  1  0.794  0.791  0.548  1.0
  V  V8  1  0.140  0.640  0.145  1.0
  V  V9  1  0.360  0.860  0.355  1.0
  V  V10  1  0.640  0.140  0.645  1.0
  V  V11  1  0.860  0.360  0.855  1.0
  P  P12  1  0.740  0.554  0.461  1.0
  P  P13  1  0.446  0.260  0.039  1.0
  P  P14  1  0.035  0.965  0.750  1.0
  P  P15  1  0.965  0.035  0.250  1.0
  P  P16  1  0.554  0.740  0.961  1.0
  P  P17  1  0.260  0.446  0.539  1.0
  O  O18  1  0.570  0.727  0.469  1.0
  O  O19  1  0.879  0.591  0.256  1.0
  O  O20  1  0.703  0.385  0.493  1.0
  O  O21  1  0.615  0.297  0.007  1.0
  O  O22  1  0.409  0.121  0.244  1.0
  O  O23  1  0.273  0.430  0.031  1.0
  O  O24  1  0.013  0.130  0.784  1.0
  O  O25  1  0.059  0.778  0.910  1.0
  O  O26  1  0.130  0.013  0.284  1.0
  O  O27  1  0.778  0.059  0.410  1.0
  O  O28  1  0.812  0.532  0.604  1.0
  O  O29  1  0.532  0.812  0.104  1.0
  O  O30  1  0.468  0.188  0.896  1.0
  O  O31  1  0.188  0.468  0.396  1.0
  O  O32  1  0.222  0.941  0.590  1.0
  O  O33  1  0.870  0.987  0.716  1.0
  O  O34  1  0.941  0.222  0.090  1.0
  O  O35  1  0.987  0.870  0.216  1.0
  O  O36  1  0.727  0.570  0.969  1.0
  O  O37  1  0.591  0.879  0.756  1.0
  O  O38  1  0.385  0.703  0.993  1.0
  O  O39  1  0.297  0.615  0.507  1.0
  O  O40  1  0.121  0.409  0.744  1.0
  O  O41  1  0.430  0.273  0.531  1.0
[/CIF]
.
The compound described by Li4V2(PO4)3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(2), one O(4), one O(5), and one O(6) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(5) atom. V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with four equivalent P(1)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(6) atom to form PO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-50°. In the second P site, P(2) is bonded to two equivalent O(4) and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-38°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one P(1) atom. In the second O site, O(2) is bonded to one Li(1), one Li(2), one V(1), and one P(1) atom to form a mixture of distorted corner and edge-sharing OLi2VP trigonal pyramids. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(2), one V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(2) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one V(1), and one P(2) atom to form a mixture of distorted corner and edge-sharing OLi2VP tetrahedra. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(1), and one P(1) atom. is represented by the CIF card [CIF]
data_Li4V2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.834
_cell_length_b   8.834
_cell_length_c   8.624
_cell_angle_alpha   61.438
_cell_angle_beta   61.438
_cell_angle_gamma   62.177
_symmetry_Int_Tables_number   1
_cell_volume   493.802
_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  0.206  0.209  0.452  1.0
  Li  Li1  1  0.791  0.794  0.048  1.0
  Li  Li2  1  0.427  0.807  0.701  1.0
  Li  Li3  1  0.807  0.427  0.201  1.0
  Li  Li4  1  0.193  0.573  0.799  1.0
  Li  Li5  1  0.573  0.193  0.299  1.0
  Li  Li6  1  0.209  0.206  0.952  1.0
  Li  Li7  1  0.794  0.791  0.548  1.0
  V  V8  1  0.140  0.640  0.145  1.0
  V  V9  1  0.360  0.860  0.355  1.0
  V  V10  1  0.640  0.140  0.645  1.0
  V  V11  1  0.860  0.360  0.855  1.0
  P  P12  1  0.740  0.554  0.461  1.0
  P  P13  1  0.446  0.260  0.039  1.0
  P  P14  1  0.035  0.965  0.750  1.0
  P  P15  1  0.965  0.035  0.250  1.0
  P  P16  1  0.554  0.740  0.961  1.0
  P  P17  1  0.260  0.446  0.539  1.0
  O  O18  1  0.570  0.727  0.469  1.0
  O  O19  1  0.879  0.591  0.256  1.0
  O  O20  1  0.703  0.385  0.493  1.0
  O  O21  1  0.615  0.297  0.007  1.0
  O  O22  1  0.409  0.121  0.244  1.0
  O  O23  1  0.273  0.430  0.031  1.0
  O  O24  1  0.013  0.130  0.784  1.0
  O  O25  1  0.059  0.778  0.910  1.0
  O  O26  1  0.130  0.013  0.284  1.0
  O  O27  1  0.778  0.059  0.410  1.0
  O  O28  1  0.812  0.532  0.604  1.0
  O  O29  1  0.532  0.812  0.104  1.0
  O  O30  1  0.468  0.188  0.896  1.0
  O  O31  1  0.188  0.468  0.396  1.0
  O  O32  1  0.222  0.941  0.590  1.0
  O  O33  1  0.870  0.987  0.716  1.0
  O  O34  1  0.941  0.222  0.090  1.0
  O  O35  1  0.987  0.870  0.216  1.0
  O  O36  1  0.727  0.570  0.969  1.0
  O  O37  1  0.591  0.879  0.756  1.0
  O  O38  1  0.385  0.703  0.993  1.0
  O  O39  1  0.297  0.615  0.507  1.0
  O  O40  1  0.121  0.409  0.744  1.0
  O  O41  1  0.430  0.273  0.531  1.0
[/CIF]
.