The material described by Li3V5O10 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(3), one O(4), one O(7), one O(8), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-20°. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(7), one O(9), and two equivalent O(3) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, corners with two equivalent V(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with three equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-20°. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(8), one O(9), and two equivalent O(4) atoms. There are six inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with four equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-18°. In the second V site, V(2) is bonded to one O(10), one O(2), one O(6), one O(8), and two equivalent O(4) atoms to form distorted VO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-15°. In the third V site, V(3) is bonded to one O(5), one O(6), one O(8), one O(9), and two equivalent O(2) atoms to form VO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-18°. In the fourth V site, V(4) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(6)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with four equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-18°. In the fifth V site, V(5) is bonded to one O(1), one O(5), one O(7), one O(9), and two equivalent O(3) atoms to form distorted VO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(6)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-17°. In the sixth V site, V(6) is bonded to one O(10), one O(5), one O(6), one O(7), and two equivalent O(1) atoms to form VO6 octahedra that share  a cornercorner with one V(4)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-18°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one V(1), one V(5), and two equivalent V(6) atoms to form OLiV4 square pyramids that share  a cornercorner with one O(1)LiV4 square pyramid, corners with two equivalent O(3)Li3V2 square pyramids,  an edgeedge with one O(3)Li3V2 square pyramid,  an edgeedge with one O(1)LiV4 square pyramid, and edges with three equivalent O(7)Li2V3 square pyramids. In the second O site, O(2) is bonded to one Li(3), one V(2), one V(4), and two equivalent V(3) atoms to form OLiV4 square pyramids that share  a cornercorner with one O(2)LiV4 square pyramid, corners with two equivalent O(4)Li3V2 square pyramids,  an edgeedge with one O(4)Li3V2 square pyramid,  an edgeedge with one O(2)LiV4 square pyramid, and edges with three equivalent O(8)Li2V3 square pyramids. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(2), and two equivalent V(5) atoms to form OLi3V2 square pyramids that share  a cornercorner with one O(7)Li2V3 square pyramid,  a cornercorner with one O(8)Li2V3 square pyramid,  a cornercorner with one O(4)Li3V2 square pyramid, corners with two equivalent O(1)LiV4 square pyramids,  an edgeedge with one O(1)LiV4 square pyramid, edges with two equivalent O(7)Li2V3 square pyramids, and edges with two equivalent O(3)Li3V2 square pyramids. In the fourth O site, O(4) is bonded to one Li(1), two equivalent Li(3), and two equivalent V(2) atoms to form OLi3V2 square pyramids that share  a cornercorner with one O(7)Li2V3 square pyramid,  a cornercorner with one O(8)Li2V3 square pyramid,  a cornercorner with one O(3)Li3V2 square pyramid, corners with two equivalent O(2)LiV4 square pyramids,  an edgeedge with one O(2)LiV4 square pyramid, edges with two equivalent O(8)Li2V3 square pyramids, and edges with two equivalent O(4)Li3V2 square pyramids. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one V(1), one V(3), one V(5), and one V(6) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one V(2), one V(3), one V(4), and one V(6) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one V(1), one V(5), and one V(6) atom to form distorted OLi2V3 square pyramids that share  a cornercorner with one O(7)Li2V3 square pyramid,  a cornercorner with one O(8)Li2V3 square pyramid,  a cornercorner with one O(3)Li3V2 square pyramid,  a cornercorner with one O(4)Li3V2 square pyramid, edges with two equivalent O(3)Li3V2 square pyramids, and edges with three equivalent O(1)LiV4 square pyramids. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one V(2), one V(3), and one V(4) atom to form distorted OLi2V3 square pyramids that share  a cornercorner with one O(7)Li2V3 square pyramid,  a cornercorner with one O(8)Li2V3 square pyramid,  a cornercorner with one O(3)Li3V2 square pyramid,  a cornercorner with one O(4)Li3V2 square pyramid, edges with two equivalent O(4)Li3V2 square pyramids, and edges with three equivalent O(2)LiV4 square pyramids. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), one V(3), and one V(5) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(3), one V(2), and one V(6) atom. is represented by the CIF file [CIF]
data_Li3V5O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.140
_cell_length_b   5.185
_cell_length_c   7.874
_cell_angle_alpha   74.285
_cell_angle_beta   73.676
_cell_angle_gamma   76.880
_symmetry_Int_Tables_number   1
_cell_volume   191.237
_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  1.000  0.500  0.500  1.0
  Li  Li1  1  0.521  0.801  0.393  1.0
  Li  Li2  1  0.479  0.199  0.607  1.0
  O  O3  1  0.226  0.956  0.859  1.0
  O  O4  1  0.774  0.044  0.141  1.0
  O  O5  1  0.789  0.893  0.519  1.0
  O  O6  1  0.211  0.107  0.481  1.0
  O  O7  1  0.786  0.679  0.940  1.0
  O  O8  1  0.214  0.321  0.060  1.0
  O  O9  1  0.257  0.804  0.231  1.0
  O  O10  1  0.743  0.196  0.769  1.0
  O  O11  1  0.192  0.543  0.670  1.0
  O  O12  1  0.808  0.457  0.330  1.0
  V  V13  1  0.500  0.000  1.000  1.0
  V  V14  1  0.020  0.881  0.688  1.0
  V  V15  1  0.980  0.119  0.312  1.0
  V  V16  1  0.961  0.308  0.901  1.0
  V  V17  1  0.039  0.692  0.099  1.0
[/CIF]
.
The material described by Li3V5O10 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(3), one O(4), one O(7), one O(8), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-20°. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(7), one O(9), and two equivalent O(3) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, corners with two equivalent V(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with three equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-20°. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(8), one O(9), and two equivalent O(4) atoms. There are six inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with four equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-18°. In the second V site, V(2) is bonded to one O(10), one O(2), one O(6), one O(8), and two equivalent O(4) atoms to form distorted VO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-15°. In the third V site, V(3) is bonded to one O(5), one O(6), one O(8), one O(9), and two equivalent O(2) atoms to form VO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-18°. In the fourth V site, V(4) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(6)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with four equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-18°. In the fifth V site, V(5) is bonded to one O(1), one O(5), one O(7), one O(9), and two equivalent O(3) atoms to form distorted VO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(6)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-17°. In the sixth V site, V(6) is bonded to one O(10), one O(5), one O(6), one O(7), and two equivalent O(1) atoms to form VO6 octahedra that share  a cornercorner with one V(4)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-18°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one V(1), one V(5), and two equivalent V(6) atoms to form OLiV4 square pyramids that share  a cornercorner with one O(1)LiV4 square pyramid, corners with two equivalent O(3)Li3V2 square pyramids,  an edgeedge with one O(3)Li3V2 square pyramid,  an edgeedge with one O(1)LiV4 square pyramid, and edges with three equivalent O(7)Li2V3 square pyramids. In the second O site, O(2) is bonded to one Li(3), one V(2), one V(4), and two equivalent V(3) atoms to form OLiV4 square pyramids that share  a cornercorner with one O(2)LiV4 square pyramid, corners with two equivalent O(4)Li3V2 square pyramids,  an edgeedge with one O(4)Li3V2 square pyramid,  an edgeedge with one O(2)LiV4 square pyramid, and edges with three equivalent O(8)Li2V3 square pyramids. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(2), and two equivalent V(5) atoms to form OLi3V2 square pyramids that share  a cornercorner with one O(7)Li2V3 square pyramid,  a cornercorner with one O(8)Li2V3 square pyramid,  a cornercorner with one O(4)Li3V2 square pyramid, corners with two equivalent O(1)LiV4 square pyramids,  an edgeedge with one O(1)LiV4 square pyramid, edges with two equivalent O(7)Li2V3 square pyramids, and edges with two equivalent O(3)Li3V2 square pyramids. In the fourth O site, O(4) is bonded to one Li(1), two equivalent Li(3), and two equivalent V(2) atoms to form OLi3V2 square pyramids that share  a cornercorner with one O(7)Li2V3 square pyramid,  a cornercorner with one O(8)Li2V3 square pyramid,  a cornercorner with one O(3)Li3V2 square pyramid, corners with two equivalent O(2)LiV4 square pyramids,  an edgeedge with one O(2)LiV4 square pyramid, edges with two equivalent O(8)Li2V3 square pyramids, and edges with two equivalent O(4)Li3V2 square pyramids. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one V(1), one V(3), one V(5), and one V(6) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one V(2), one V(3), one V(4), and one V(6) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one V(1), one V(5), and one V(6) atom to form distorted OLi2V3 square pyramids that share  a cornercorner with one O(7)Li2V3 square pyramid,  a cornercorner with one O(8)Li2V3 square pyramid,  a cornercorner with one O(3)Li3V2 square pyramid,  a cornercorner with one O(4)Li3V2 square pyramid, edges with two equivalent O(3)Li3V2 square pyramids, and edges with three equivalent O(1)LiV4 square pyramids. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one V(2), one V(3), and one V(4) atom to form distorted OLi2V3 square pyramids that share  a cornercorner with one O(7)Li2V3 square pyramid,  a cornercorner with one O(8)Li2V3 square pyramid,  a cornercorner with one O(3)Li3V2 square pyramid,  a cornercorner with one O(4)Li3V2 square pyramid, edges with two equivalent O(4)Li3V2 square pyramids, and edges with three equivalent O(2)LiV4 square pyramids. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), one V(3), and one V(5) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(3), one V(2), and one V(6) atom. is represented by the CIF file [CIF]
data_Li3V5O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.140
_cell_length_b   5.185
_cell_length_c   7.874
_cell_angle_alpha   74.285
_cell_angle_beta   73.676
_cell_angle_gamma   76.880
_symmetry_Int_Tables_number   1
_cell_volume   191.237
_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  1.000  0.500  0.500  1.0
  Li  Li1  1  0.521  0.801  0.393  1.0
  Li  Li2  1  0.479  0.199  0.607  1.0
  O  O3  1  0.226  0.956  0.859  1.0
  O  O4  1  0.774  0.044  0.141  1.0
  O  O5  1  0.789  0.893  0.519  1.0
  O  O6  1  0.211  0.107  0.481  1.0
  O  O7  1  0.786  0.679  0.940  1.0
  O  O8  1  0.214  0.321  0.060  1.0
  O  O9  1  0.257  0.804  0.231  1.0
  O  O10  1  0.743  0.196  0.769  1.0
  O  O11  1  0.192  0.543  0.670  1.0
  O  O12  1  0.808  0.457  0.330  1.0
  V  V13  1  0.500  0.000  1.000  1.0
  V  V14  1  0.020  0.881  0.688  1.0
  V  V15  1  0.980  0.119  0.312  1.0
  V  V16  1  0.961  0.308  0.901  1.0
  V  V17  1  0.039  0.692  0.099  1.0
[/CIF]
.