The structure described by Li3V5O10 crystallizes in the monoclinic C2/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with four equivalent V(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-11°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with four equivalent V(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-12°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form VO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. In the second V site, V(2) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the third V site, V(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 10°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one V(1), one V(2), and one V(3) atom to form a mixture of edge and corner-sharing OLi2V3 square pyramids. In the second O site, O(2) is bonded to one Li(1), one Li(2), one V(1), and two equivalent V(2) atoms to form a mixture of edge and corner-sharing OLi2V3 square pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(2), and one V(3) atom. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), one V(1), and two equivalent V(2) atoms to form a mixture of edge and corner-sharing OLi2V3 square pyramids. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one V(3), and two equivalent V(1) atoms to form a mixture of edge and corner-sharing OLi2V3 square pyramids. is represented by the CIF card [CIF]
data_Li3V5O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.944
_cell_length_b   7.944
_cell_length_c   10.051
_cell_angle_alpha   86.603
_cell_angle_beta   86.603
_cell_angle_gamma   142.626
_symmetry_Int_Tables_number   1
_cell_volume   378.417
_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  0.353  0.647  0.750  1.0
  Li  Li1  1  0.449  0.551  0.250  1.0
  Li  Li2  1  0.849  0.151  0.250  1.0
  Li  Li3  1  0.151  0.849  0.750  1.0
  Li  Li4  1  0.551  0.449  0.750  1.0
  Li  Li5  1  0.647  0.353  0.250  1.0
  V  V6  1  0.097  0.399  0.507  1.0
  V  V7  1  0.190  0.285  0.002  1.0
  V  V8  1  0.285  0.190  0.502  1.0
  V  V9  1  0.715  0.810  0.498  1.0
  V  V10  1  0.601  0.903  0.993  1.0
  V  V11  1  0.399  0.097  0.007  1.0
  V  V12  1  0.903  0.601  0.493  1.0
  V  V13  1  0.810  0.715  0.998  1.0
  V  V14  1  0.000  0.500  0.000  1.0
  V  V15  1  0.500  0.000  0.500  1.0
  O  O16  1  0.481  0.776  0.394  1.0
  O  O17  1  0.224  0.519  0.106  1.0
  O  O18  1  0.442  0.345  0.109  1.0
  O  O19  1  0.983  0.280  0.896  1.0
  O  O20  1  0.345  0.442  0.609  1.0
  O  O21  1  0.072  0.182  0.390  1.0
  O  O22  1  0.818  0.928  0.110  1.0
  O  O23  1  0.280  0.983  0.396  1.0
  O  O24  1  0.720  0.017  0.604  1.0
  O  O25  1  0.182  0.072  0.890  1.0
  O  O26  1  0.928  0.818  0.610  1.0
  O  O27  1  0.017  0.720  0.104  1.0
  O  O28  1  0.558  0.655  0.891  1.0
  O  O29  1  0.655  0.558  0.391  1.0
  O  O30  1  0.348  0.849  0.892  1.0
  O  O31  1  0.151  0.652  0.608  1.0
  O  O32  1  0.776  0.481  0.894  1.0
  O  O33  1  0.849  0.348  0.392  1.0
  O  O34  1  0.519  0.224  0.606  1.0
  O  O35  1  0.652  0.151  0.108  1.0
[/CIF]
.
The structure described by Li3V5O10 crystallizes in the monoclinic C2/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with four equivalent V(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-11°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with four equivalent V(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-12°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form VO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. In the second V site, V(2) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the third V site, V(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 10°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one V(1), one V(2), and one V(3) atom to form a mixture of edge and corner-sharing OLi2V3 square pyramids. In the second O site, O(2) is bonded to one Li(1), one Li(2), one V(1), and two equivalent V(2) atoms to form a mixture of edge and corner-sharing OLi2V3 square pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(2), and one V(3) atom. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), one V(1), and two equivalent V(2) atoms to form a mixture of edge and corner-sharing OLi2V3 square pyramids. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one V(3), and two equivalent V(1) atoms to form a mixture of edge and corner-sharing OLi2V3 square pyramids. is represented by the CIF card [CIF]
data_Li3V5O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.944
_cell_length_b   7.944
_cell_length_c   10.051
_cell_angle_alpha   86.603
_cell_angle_beta   86.603
_cell_angle_gamma   142.626
_symmetry_Int_Tables_number   1
_cell_volume   378.417
_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  0.353  0.647  0.750  1.0
  Li  Li1  1  0.449  0.551  0.250  1.0
  Li  Li2  1  0.849  0.151  0.250  1.0
  Li  Li3  1  0.151  0.849  0.750  1.0
  Li  Li4  1  0.551  0.449  0.750  1.0
  Li  Li5  1  0.647  0.353  0.250  1.0
  V  V6  1  0.097  0.399  0.507  1.0
  V  V7  1  0.190  0.285  0.002  1.0
  V  V8  1  0.285  0.190  0.502  1.0
  V  V9  1  0.715  0.810  0.498  1.0
  V  V10  1  0.601  0.903  0.993  1.0
  V  V11  1  0.399  0.097  0.007  1.0
  V  V12  1  0.903  0.601  0.493  1.0
  V  V13  1  0.810  0.715  0.998  1.0
  V  V14  1  0.000  0.500  0.000  1.0
  V  V15  1  0.500  0.000  0.500  1.0
  O  O16  1  0.481  0.776  0.394  1.0
  O  O17  1  0.224  0.519  0.106  1.0
  O  O18  1  0.442  0.345  0.109  1.0
  O  O19  1  0.983  0.280  0.896  1.0
  O  O20  1  0.345  0.442  0.609  1.0
  O  O21  1  0.072  0.182  0.390  1.0
  O  O22  1  0.818  0.928  0.110  1.0
  O  O23  1  0.280  0.983  0.396  1.0
  O  O24  1  0.720  0.017  0.604  1.0
  O  O25  1  0.182  0.072  0.890  1.0
  O  O26  1  0.928  0.818  0.610  1.0
  O  O27  1  0.017  0.720  0.104  1.0
  O  O28  1  0.558  0.655  0.891  1.0
  O  O29  1  0.655  0.558  0.391  1.0
  O  O30  1  0.348  0.849  0.892  1.0
  O  O31  1  0.151  0.652  0.608  1.0
  O  O32  1  0.776  0.481  0.894  1.0
  O  O33  1  0.849  0.348  0.392  1.0
  O  O34  1  0.519  0.224  0.606  1.0
  O  O35  1  0.652  0.151  0.108  1.0
[/CIF]
.