The structure described by Li3V6O13 crystallizes in the monoclinic Cm space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), one O(5), and two equivalent O(12) atoms to form LiO5 square pyramids that share  a cornercorner with one V(3)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids, edges with two equivalent V(3)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and  an edgeedge with one Li(2)O5 square pyramid. The corner-sharing octahedral tilt angles are 8°. In the second Li site, Li(2) is bonded to one O(3), one O(4), one O(6), and two equivalent O(13) atoms to form LiO5 square pyramids that share  a cornercorner with one V(4)O6 octahedra, corners with two equivalent Li(2)O5 square pyramids, edges with two equivalent V(3)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles are 8°. In the third Li site, Li(3) is bonded in a square co-planar geometry to one O(1), one O(2), and two equivalent O(7) atoms. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(11), one O(7), one O(8), and two equivalent O(2) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 0-14°. In the second V site, V(2) is bonded to one O(10), one O(2), one O(7), one O(9), and two equivalent O(1) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the third V site, V(3) is bonded to one O(12), one O(13), one O(5), one O(8), and two equivalent O(3) atoms to form distorted VO6 octahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Li(1)O5 square pyramids, and edges with two equivalent Li(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 7-18°. In the fourth V site, V(4) is bonded to one O(12), one O(13), one O(6), one O(9), and two equivalent O(4) atoms to form distorted VO6 octahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(4)O6 octahedra,  a cornercorner with one Li(2)O5 square pyramid,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent Li(1)O5 square pyramids, and edges with two equivalent Li(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 4-18°. In the fifth V site, V(5) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(3), one O(6), and two equivalent O(5) atoms. In the sixth V site, V(6) is bonded in a 6-coordinate geometry to one O(11), one O(13), one O(4), one O(5), and two equivalent O(6) atoms. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to one Li(3), one V(1), and two equivalent V(2) atoms. In the second O site, O(2) is bonded in a square co-planar geometry to one Li(3), one V(2), and two equivalent V(1) atoms. In the third O site, O(3) is bonded to one Li(1), one Li(2), one V(5), and two equivalent V(3) atoms to form OLi2V3 square pyramids that share corners with two equivalent O(3)Li2V3 square pyramids,  a cornercorner with one O(12)Li2V3 trigonal bipyramid,  a cornercorner with one O(5)LiV4 trigonal bipyramid,  an edgeedge with one O(4)Li2V3 square pyramid,  an edgeedge with one O(6)LiV4 trigonal bipyramid, edges with two equivalent O(12)Li2V3 trigonal bipyramids, edges with two equivalent O(13)Li2V3 trigonal bipyramids, and edges with two equivalent O(5)LiV4 trigonal bipyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one V(6), and two equivalent V(4) atoms to form OLi2V3 square pyramids that share corners with two equivalent O(4)Li2V3 square pyramids,  a cornercorner with one O(13)Li2V3 trigonal bipyramid,  a cornercorner with one O(6)LiV4 trigonal bipyramid,  an edgeedge with one O(3)Li2V3 square pyramid,  an edgeedge with one O(5)LiV4 trigonal bipyramid, edges with two equivalent O(12)Li2V3 trigonal bipyramids, edges with two equivalent O(13)Li2V3 trigonal bipyramids, and edges with two equivalent O(6)LiV4 trigonal bipyramids. In the fifth O site, O(5) is bonded to one Li(1), one V(3), one V(6), and two equivalent V(5) atoms to form distorted OLiV4 trigonal bipyramids that share  a cornercorner with one O(3)Li2V3 square pyramid,  a cornercorner with one O(12)Li2V3 trigonal bipyramid, corners with two equivalent O(5)LiV4 trigonal bipyramids,  an edgeedge with one O(4)Li2V3 square pyramid, edges with two equivalent O(3)Li2V3 square pyramids,  an edgeedge with one O(13)Li2V3 trigonal bipyramid, edges with two equivalent O(12)Li2V3 trigonal bipyramids, and edges with two equivalent O(6)LiV4 trigonal bipyramids. In the sixth O site, O(6) is bonded to one Li(2), one V(4), one V(5), and two equivalent V(6) atoms to form distorted OLiV4 trigonal bipyramids that share  a cornercorner with one O(4)Li2V3 square pyramid,  a cornercorner with one O(13)Li2V3 trigonal bipyramid, corners with two equivalent O(6)LiV4 trigonal bipyramids,  an edgeedge with one O(3)Li2V3 square pyramid, edges with two equivalent O(4)Li2V3 square pyramids,  an edgeedge with one O(12)Li2V3 trigonal bipyramid, edges with two equivalent O(13)Li2V3 trigonal bipyramids, and edges with two equivalent O(5)LiV4 trigonal bipyramids. In the seventh O site, O(7) is bonded in a square co-planar geometry to two equivalent Li(3), one V(1), and one V(2) atom. In the eighth O site, O(8) is bonded in a linear geometry to one V(1) and one V(3) atom. In the ninth O site, O(9) is bonded in a linear geometry to one V(2) and one V(4) atom. In the tenth O site, O(10) is bonded in a linear geometry to one V(2) and one V(5) atom. In the eleventh O site, O(11) is bonded in a linear geometry to one V(1) and one V(6) atom. In the twelfth O site, O(12) is bonded to two equivalent Li(1), one V(3), one V(4), and one V(5) atom to form OLi2V3 trigonal bipyramids that share  a cornercorner with one O(3)Li2V3 square pyramid,  a cornercorner with one O(5)LiV4 trigonal bipyramid, corners with two equivalent O(12)Li2V3 trigonal bipyramids, edges with two equivalent O(3)Li2V3 square pyramids, edges with two equivalent O(4)Li2V3 square pyramids,  an edgeedge with one O(13)Li2V3 trigonal bipyramid,  an edgeedge with one O(6)LiV4 trigonal bipyramid, and edges with two equivalent O(5)LiV4 trigonal bipyramids. In the thirteenth O site, O(13) is bonded to two equivalent Li(2), one V(3), one V(4), and one V(6) atom to form OLi2V3 trigonal bipyramids that share  a cornercorner with one O(4)Li2V3 square pyramid,  a cornercorner with one O(6)LiV4 trigonal bipyramid, corners with two equivalent O(13)Li2V3 trigonal bipyramids, edges with two equivalent O(3)Li2V3 square pyramids, edges with two equivalent O(4)Li2V3 square pyramids,  an edgeedge with one O(12)Li2V3 trigonal bipyramid,  an edgeedge with one O(5)LiV4 trigonal bipyramid, and edges with two equivalent O(6)LiV4 trigonal bipyramids. is represented by the CIF file [CIF]
data_Li3V6O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.338
_cell_length_b   6.338
_cell_length_c   10.311
_cell_angle_alpha   79.895
_cell_angle_beta   79.895
_cell_angle_gamma   37.020
_symmetry_Int_Tables_number   1
_cell_volume   245.127
_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  0.931  0.931  0.413  1.0
  Li  Li1  1  0.069  0.069  0.587  1.0
  Li  Li2  1  0.999  0.999  0.001  1.0
  V  V3  1  0.662  0.662  0.002  1.0
  V  V4  1  0.343  0.343  0.998  1.0
  V  V5  1  0.598  0.598  0.366  1.0
  V  V6  1  0.402  0.402  0.633  1.0
  V  V7  1  0.280  0.280  0.364  1.0
  V  V8  1  0.720  0.720  0.636  1.0
  O  O9  1  0.827  0.827  1.000  1.0
  O  O10  1  0.183  0.183  1.000  1.0
  O  O11  1  0.111  0.111  0.391  1.0
  O  O12  1  0.889  0.889  0.609  1.0
  O  O13  1  0.759  0.759  0.404  1.0
  O  O14  1  0.241  0.241  0.596  1.0
  O  O15  1  0.495  0.495  1.000  1.0
  O  O16  1  0.618  0.618  0.198  1.0
  O  O17  1  0.380  0.380  0.801  1.0
  O  O18  1  0.317  0.317  0.199  1.0
  O  O19  1  0.681  0.681  0.802  1.0
  O  O20  1  0.431  0.431  0.419  1.0
  O  O21  1  0.569  0.569  0.582  1.0
[/CIF]
.
The structure described by Li3V6O13 crystallizes in the monoclinic Cm space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), one O(5), and two equivalent O(12) atoms to form LiO5 square pyramids that share  a cornercorner with one V(3)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids, edges with two equivalent V(3)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and  an edgeedge with one Li(2)O5 square pyramid. The corner-sharing octahedral tilt angles are 8°. In the second Li site, Li(2) is bonded to one O(3), one O(4), one O(6), and two equivalent O(13) atoms to form LiO5 square pyramids that share  a cornercorner with one V(4)O6 octahedra, corners with two equivalent Li(2)O5 square pyramids, edges with two equivalent V(3)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles are 8°. In the third Li site, Li(3) is bonded in a square co-planar geometry to one O(1), one O(2), and two equivalent O(7) atoms. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(11), one O(7), one O(8), and two equivalent O(2) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 0-14°. In the second V site, V(2) is bonded to one O(10), one O(2), one O(7), one O(9), and two equivalent O(1) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the third V site, V(3) is bonded to one O(12), one O(13), one O(5), one O(8), and two equivalent O(3) atoms to form distorted VO6 octahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Li(1)O5 square pyramids, and edges with two equivalent Li(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 7-18°. In the fourth V site, V(4) is bonded to one O(12), one O(13), one O(6), one O(9), and two equivalent O(4) atoms to form distorted VO6 octahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(4)O6 octahedra,  a cornercorner with one Li(2)O5 square pyramid,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent Li(1)O5 square pyramids, and edges with two equivalent Li(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 4-18°. In the fifth V site, V(5) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(3), one O(6), and two equivalent O(5) atoms. In the sixth V site, V(6) is bonded in a 6-coordinate geometry to one O(11), one O(13), one O(4), one O(5), and two equivalent O(6) atoms. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to one Li(3), one V(1), and two equivalent V(2) atoms. In the second O site, O(2) is bonded in a square co-planar geometry to one Li(3), one V(2), and two equivalent V(1) atoms. In the third O site, O(3) is bonded to one Li(1), one Li(2), one V(5), and two equivalent V(3) atoms to form OLi2V3 square pyramids that share corners with two equivalent O(3)Li2V3 square pyramids,  a cornercorner with one O(12)Li2V3 trigonal bipyramid,  a cornercorner with one O(5)LiV4 trigonal bipyramid,  an edgeedge with one O(4)Li2V3 square pyramid,  an edgeedge with one O(6)LiV4 trigonal bipyramid, edges with two equivalent O(12)Li2V3 trigonal bipyramids, edges with two equivalent O(13)Li2V3 trigonal bipyramids, and edges with two equivalent O(5)LiV4 trigonal bipyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one V(6), and two equivalent V(4) atoms to form OLi2V3 square pyramids that share corners with two equivalent O(4)Li2V3 square pyramids,  a cornercorner with one O(13)Li2V3 trigonal bipyramid,  a cornercorner with one O(6)LiV4 trigonal bipyramid,  an edgeedge with one O(3)Li2V3 square pyramid,  an edgeedge with one O(5)LiV4 trigonal bipyramid, edges with two equivalent O(12)Li2V3 trigonal bipyramids, edges with two equivalent O(13)Li2V3 trigonal bipyramids, and edges with two equivalent O(6)LiV4 trigonal bipyramids. In the fifth O site, O(5) is bonded to one Li(1), one V(3), one V(6), and two equivalent V(5) atoms to form distorted OLiV4 trigonal bipyramids that share  a cornercorner with one O(3)Li2V3 square pyramid,  a cornercorner with one O(12)Li2V3 trigonal bipyramid, corners with two equivalent O(5)LiV4 trigonal bipyramids,  an edgeedge with one O(4)Li2V3 square pyramid, edges with two equivalent O(3)Li2V3 square pyramids,  an edgeedge with one O(13)Li2V3 trigonal bipyramid, edges with two equivalent O(12)Li2V3 trigonal bipyramids, and edges with two equivalent O(6)LiV4 trigonal bipyramids. In the sixth O site, O(6) is bonded to one Li(2), one V(4), one V(5), and two equivalent V(6) atoms to form distorted OLiV4 trigonal bipyramids that share  a cornercorner with one O(4)Li2V3 square pyramid,  a cornercorner with one O(13)Li2V3 trigonal bipyramid, corners with two equivalent O(6)LiV4 trigonal bipyramids,  an edgeedge with one O(3)Li2V3 square pyramid, edges with two equivalent O(4)Li2V3 square pyramids,  an edgeedge with one O(12)Li2V3 trigonal bipyramid, edges with two equivalent O(13)Li2V3 trigonal bipyramids, and edges with two equivalent O(5)LiV4 trigonal bipyramids. In the seventh O site, O(7) is bonded in a square co-planar geometry to two equivalent Li(3), one V(1), and one V(2) atom. In the eighth O site, O(8) is bonded in a linear geometry to one V(1) and one V(3) atom. In the ninth O site, O(9) is bonded in a linear geometry to one V(2) and one V(4) atom. In the tenth O site, O(10) is bonded in a linear geometry to one V(2) and one V(5) atom. In the eleventh O site, O(11) is bonded in a linear geometry to one V(1) and one V(6) atom. In the twelfth O site, O(12) is bonded to two equivalent Li(1), one V(3), one V(4), and one V(5) atom to form OLi2V3 trigonal bipyramids that share  a cornercorner with one O(3)Li2V3 square pyramid,  a cornercorner with one O(5)LiV4 trigonal bipyramid, corners with two equivalent O(12)Li2V3 trigonal bipyramids, edges with two equivalent O(3)Li2V3 square pyramids, edges with two equivalent O(4)Li2V3 square pyramids,  an edgeedge with one O(13)Li2V3 trigonal bipyramid,  an edgeedge with one O(6)LiV4 trigonal bipyramid, and edges with two equivalent O(5)LiV4 trigonal bipyramids. In the thirteenth O site, O(13) is bonded to two equivalent Li(2), one V(3), one V(4), and one V(6) atom to form OLi2V3 trigonal bipyramids that share  a cornercorner with one O(4)Li2V3 square pyramid,  a cornercorner with one O(6)LiV4 trigonal bipyramid, corners with two equivalent O(13)Li2V3 trigonal bipyramids, edges with two equivalent O(3)Li2V3 square pyramids, edges with two equivalent O(4)Li2V3 square pyramids,  an edgeedge with one O(12)Li2V3 trigonal bipyramid,  an edgeedge with one O(5)LiV4 trigonal bipyramid, and edges with two equivalent O(6)LiV4 trigonal bipyramids. is represented by the CIF file [CIF]
data_Li3V6O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.338
_cell_length_b   6.338
_cell_length_c   10.311
_cell_angle_alpha   79.895
_cell_angle_beta   79.895
_cell_angle_gamma   37.020
_symmetry_Int_Tables_number   1
_cell_volume   245.127
_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  0.931  0.931  0.413  1.0
  Li  Li1  1  0.069  0.069  0.587  1.0
  Li  Li2  1  0.999  0.999  0.001  1.0
  V  V3  1  0.662  0.662  0.002  1.0
  V  V4  1  0.343  0.343  0.998  1.0
  V  V5  1  0.598  0.598  0.366  1.0
  V  V6  1  0.402  0.402  0.633  1.0
  V  V7  1  0.280  0.280  0.364  1.0
  V  V8  1  0.720  0.720  0.636  1.0
  O  O9  1  0.827  0.827  1.000  1.0
  O  O10  1  0.183  0.183  1.000  1.0
  O  O11  1  0.111  0.111  0.391  1.0
  O  O12  1  0.889  0.889  0.609  1.0
  O  O13  1  0.759  0.759  0.404  1.0
  O  O14  1  0.241  0.241  0.596  1.0
  O  O15  1  0.495  0.495  1.000  1.0
  O  O16  1  0.618  0.618  0.198  1.0
  O  O17  1  0.380  0.380  0.801  1.0
  O  O18  1  0.317  0.317  0.199  1.0
  O  O19  1  0.681  0.681  0.802  1.0
  O  O20  1  0.431  0.431  0.419  1.0
  O  O21  1  0.569  0.569  0.582  1.0
[/CIF]
.