The compound described by Li5V(PO4)3 crystallizes in the triclinic P1 space group. There are ten inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(12), one O(15), one O(2), one O(20), and one O(5) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(15), one O(16), one O(18), one O(21), one O(3), and one O(5) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(10), one O(17), one O(18), one O(3), one O(4), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(16), one O(17), one O(22), one O(3), one O(5), and one O(9) atom. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(11), one O(16), one O(17), one O(19), one O(3), and one O(7) atom. In the sixth Li site, Li(6) is bonded in a 6-coordinate geometry to one O(10), one O(15), one O(18), one O(21), one O(4), and one O(6) atom. In the seventh Li site, Li(7) is bonded in a 5-coordinate geometry to one O(15), one O(18), one O(20), one O(4), and one O(8) atom. In the eighth Li site, Li(8) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(20), one O(21), one O(3), and one O(7) atom. In the ninth Li site, Li(9) is bonded in a 3-coordinate geometry to one O(13), one O(22), and one O(8) atom. In the tenth Li site, Li(10) is bonded in a 6-coordinate geometry to one O(15), one O(16), one O(17), one O(22), one O(4), and one O(6) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(11), one O(13), one O(19), one O(2), one O(23), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the second V site, V(2) is bonded to one O(1), one O(12), one O(14), one O(20), one O(24), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(14), one O(15), one O(2), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra and  a cornercorner with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-34°. In the second P site, P(2) is bonded to one O(19), one O(6), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra and  a cornercorner with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-44°. In the third P site, P(3) is bonded to one O(10), one O(20), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra and  a cornercorner with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-40°. In the fourth P site, P(4) is bonded to one O(1), one O(13), one O(16), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra and  a cornercorner with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-38°. In the fifth P site, P(5) is bonded to one O(17), one O(18), one O(23), and one O(24) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra and  a cornercorner with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-33°. In the sixth P site, P(6) is bonded to one O(11), one O(12), one O(21), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra and  a cornercorner with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-40°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(2) and one P(4) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one P(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(2), one Li(3), one Li(4), one Li(5), one Li(8), and one P(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(10), one Li(3), one Li(6), one Li(7), and one P(4) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Li(4), and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(10), one Li(6), and one P(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(5), one Li(8), one V(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(7), one Li(9), 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 Li(4), and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Li(3), one Li(6), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Li(5), one Li(8), one V(1), and one P(6) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(1), one V(2), and one P(6) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Li(9), one V(1), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one Li(8), one V(2), and one P(1) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(1), one Li(10), one Li(2), one Li(6), one Li(7), and one P(1) atom. In the sixteenth O site, O(16) is bonded in a 5-coordinate geometry to one Li(10), one Li(2), one Li(4), one Li(5), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal bipyramidal geometry to one Li(10), one Li(3), one Li(4), one Li(5), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), one Li(6), one Li(7), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Li(5), one V(1), and one P(2) atom. In the twentieth O site, O(20) is bonded in a 2-coordinate geometry to one Li(1), one Li(7), one Li(8), one V(2), and one P(3) atom. In the twenty-first O site, O(21) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(6), one Li(8), and one P(6) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Li(10), one Li(4), one Li(9), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one V(1) and one P(5) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one V(2) and one P(5) atom. is represented by the CIF file [CIF]
data_Li5V(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.512
_cell_length_b   8.565
_cell_length_c   8.584
_cell_angle_alpha   62.666
_cell_angle_beta   62.228
_cell_angle_gamma   62.657
_symmetry_Int_Tables_number   1
_cell_volume   467.335
_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  0.490  0.101  0.799  1.0
  Li  Li1  1  0.580  0.995  0.416  1.0
  Li  Li2  1  0.994  0.419  0.580  1.0
  Li  Li3  1  0.400  0.411  0.409  1.0
  Li  Li4  1  0.262  0.273  0.254  1.0
  Li  Li5  1  0.597  0.587  0.596  1.0
  Li  Li6  1  0.747  0.734  0.723  1.0
  Li  Li7  1  0.202  0.902  0.504  1.0
  Li  Li8  1  0.799  0.505  0.102  1.0
  Li  Li9  1  0.413  0.571  0.991  1.0
  V  V10  1  0.099  0.110  0.113  1.0
  V  V11  1  0.894  0.889  0.899  1.0
  P  P12  1  0.289  0.001  0.711  1.0
  P  P13  1  0.192  0.498  0.810  1.0
  P  P14  1  0.807  0.193  0.511  1.0
  P  P15  1  0.715  0.289  0.998  1.0
  P  P16  1  0.001  0.710  0.285  1.0
  P  P17  1  0.497  0.807  0.199  1.0
  O  O18  1  0.802  0.131  0.913  1.0
  O  O19  1  0.228  0.094  0.858  1.0
  O  O20  1  0.290  0.144  0.518  1.0
  O  O21  1  0.707  0.480  0.851  1.0
  O  O22  1  0.629  0.215  0.488  1.0
  O  O23  1  0.354  0.544  0.790  1.0
  O  O24  1  0.998  0.153  0.350  1.0
  O  O25  1  0.991  0.650  0.856  1.0
  O  O26  1  0.211  0.459  0.645  1.0
  O  O27  1  0.797  0.356  0.547  1.0
  O  O28  1  0.330  0.989  0.172  1.0
  O  O29  1  0.652  0.855  0.004  1.0
  O  O30  1  0.849  0.253  0.098  1.0
  O  O31  1  0.149  0.900  0.764  1.0
  O  O32  1  0.486  0.864  0.705  1.0
  O  O33  1  0.522  0.284  0.141  1.0
  O  O34  1  0.158  0.526  0.286  1.0
  O  O35  1  0.855  0.705  0.477  1.0
  O  O36  1  0.164  0.333  0.000  1.0
  O  O37  1  0.840  0.000  0.668  1.0
  O  O38  1  0.518  0.793  0.374  1.0
  O  O39  1  0.488  0.627  0.210  1.0
  O  O40  1  0.079  0.872  0.215  1.0
  O  O41  1  0.907  0.759  0.144  1.0
[/CIF]
.
The compound described by Li5V(PO4)3 crystallizes in the triclinic P1 space group. There are ten inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(12), one O(15), one O(2), one O(20), and one O(5) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(15), one O(16), one O(18), one O(21), one O(3), and one O(5) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(10), one O(17), one O(18), one O(3), one O(4), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(16), one O(17), one O(22), one O(3), one O(5), and one O(9) atom. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(11), one O(16), one O(17), one O(19), one O(3), and one O(7) atom. In the sixth Li site, Li(6) is bonded in a 6-coordinate geometry to one O(10), one O(15), one O(18), one O(21), one O(4), and one O(6) atom. In the seventh Li site, Li(7) is bonded in a 5-coordinate geometry to one O(15), one O(18), one O(20), one O(4), and one O(8) atom. In the eighth Li site, Li(8) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(20), one O(21), one O(3), and one O(7) atom. In the ninth Li site, Li(9) is bonded in a 3-coordinate geometry to one O(13), one O(22), and one O(8) atom. In the tenth Li site, Li(10) is bonded in a 6-coordinate geometry to one O(15), one O(16), one O(17), one O(22), one O(4), and one O(6) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(11), one O(13), one O(19), one O(2), one O(23), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the second V site, V(2) is bonded to one O(1), one O(12), one O(14), one O(20), one O(24), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(14), one O(15), one O(2), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra and  a cornercorner with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-34°. In the second P site, P(2) is bonded to one O(19), one O(6), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra and  a cornercorner with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-44°. In the third P site, P(3) is bonded to one O(10), one O(20), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra and  a cornercorner with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-40°. In the fourth P site, P(4) is bonded to one O(1), one O(13), one O(16), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra and  a cornercorner with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-38°. In the fifth P site, P(5) is bonded to one O(17), one O(18), one O(23), and one O(24) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra and  a cornercorner with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-33°. In the sixth P site, P(6) is bonded to one O(11), one O(12), one O(21), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra and  a cornercorner with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-40°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(2) and one P(4) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one P(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(2), one Li(3), one Li(4), one Li(5), one Li(8), and one P(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(10), one Li(3), one Li(6), one Li(7), and one P(4) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Li(4), and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(10), one Li(6), and one P(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(5), one Li(8), one V(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(7), one Li(9), 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 Li(4), and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Li(3), one Li(6), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Li(5), one Li(8), one V(1), and one P(6) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(1), one V(2), and one P(6) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Li(9), one V(1), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one Li(8), one V(2), and one P(1) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(1), one Li(10), one Li(2), one Li(6), one Li(7), and one P(1) atom. In the sixteenth O site, O(16) is bonded in a 5-coordinate geometry to one Li(10), one Li(2), one Li(4), one Li(5), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal bipyramidal geometry to one Li(10), one Li(3), one Li(4), one Li(5), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), one Li(6), one Li(7), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Li(5), one V(1), and one P(2) atom. In the twentieth O site, O(20) is bonded in a 2-coordinate geometry to one Li(1), one Li(7), one Li(8), one V(2), and one P(3) atom. In the twenty-first O site, O(21) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(6), one Li(8), and one P(6) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Li(10), one Li(4), one Li(9), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one V(1) and one P(5) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one V(2) and one P(5) atom. is represented by the CIF file [CIF]
data_Li5V(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.512
_cell_length_b   8.565
_cell_length_c   8.584
_cell_angle_alpha   62.666
_cell_angle_beta   62.228
_cell_angle_gamma   62.657
_symmetry_Int_Tables_number   1
_cell_volume   467.335
_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  0.490  0.101  0.799  1.0
  Li  Li1  1  0.580  0.995  0.416  1.0
  Li  Li2  1  0.994  0.419  0.580  1.0
  Li  Li3  1  0.400  0.411  0.409  1.0
  Li  Li4  1  0.262  0.273  0.254  1.0
  Li  Li5  1  0.597  0.587  0.596  1.0
  Li  Li6  1  0.747  0.734  0.723  1.0
  Li  Li7  1  0.202  0.902  0.504  1.0
  Li  Li8  1  0.799  0.505  0.102  1.0
  Li  Li9  1  0.413  0.571  0.991  1.0
  V  V10  1  0.099  0.110  0.113  1.0
  V  V11  1  0.894  0.889  0.899  1.0
  P  P12  1  0.289  0.001  0.711  1.0
  P  P13  1  0.192  0.498  0.810  1.0
  P  P14  1  0.807  0.193  0.511  1.0
  P  P15  1  0.715  0.289  0.998  1.0
  P  P16  1  0.001  0.710  0.285  1.0
  P  P17  1  0.497  0.807  0.199  1.0
  O  O18  1  0.802  0.131  0.913  1.0
  O  O19  1  0.228  0.094  0.858  1.0
  O  O20  1  0.290  0.144  0.518  1.0
  O  O21  1  0.707  0.480  0.851  1.0
  O  O22  1  0.629  0.215  0.488  1.0
  O  O23  1  0.354  0.544  0.790  1.0
  O  O24  1  0.998  0.153  0.350  1.0
  O  O25  1  0.991  0.650  0.856  1.0
  O  O26  1  0.211  0.459  0.645  1.0
  O  O27  1  0.797  0.356  0.547  1.0
  O  O28  1  0.330  0.989  0.172  1.0
  O  O29  1  0.652  0.855  0.004  1.0
  O  O30  1  0.849  0.253  0.098  1.0
  O  O31  1  0.149  0.900  0.764  1.0
  O  O32  1  0.486  0.864  0.705  1.0
  O  O33  1  0.522  0.284  0.141  1.0
  O  O34  1  0.158  0.526  0.286  1.0
  O  O35  1  0.855  0.705  0.477  1.0
  O  O36  1  0.164  0.333  0.000  1.0
  O  O37  1  0.840  0.000  0.668  1.0
  O  O38  1  0.518  0.793  0.374  1.0
  O  O39  1  0.488  0.627  0.210  1.0
  O  O40  1  0.079  0.872  0.215  1.0
  O  O41  1  0.907  0.759  0.144  1.0
[/CIF]
.