The material described by Li3V6O13 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a square co-planar geometry to one O(10), one O(3), one O(4), and one O(9) atom. In the second Li site, Li(2) is bonded to one O(14), one O(5), one O(6), one O(7), and one O(8) atom to form a mixture of corner and edge-sharing LiO5 square pyramids. In the third Li site, Li(3) is bonded to one O(13), one O(5), one O(6), one O(7), and one O(8) atom to form a mixture of corner and edge-sharing LiO5 square pyramids. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(12), one O(2), one O(3), and two equivalent O(9) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the second V site, V(2) is bonded to one O(1), one O(11), one O(4), one O(9), and two equivalent O(10) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(1), one O(13), one O(7), one O(8), and two equivalent O(5) atoms. In the fourth V site, V(4) is bonded in a 6-coordinate geometry to one O(14), one O(2), one O(7), one O(8), and two equivalent O(6) atoms. In the fifth V site, V(5) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(5), one O(7), and two equivalent O(13) atoms. In the sixth V site, V(6) is bonded in a 6-coordinate geometry to one O(12), one O(13), one O(6), one O(8), and two equivalent O(14) atoms. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one V(2) and one V(3) atom. In the second O site, O(2) is bonded in a linear geometry to one V(1) and one V(4) atom. In the third O site, O(3) is bonded in a square co-planar geometry to two equivalent Li(1) and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a square co-planar geometry to two equivalent Li(1) and two equivalent V(2) atoms. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one V(5), and two equivalent V(3) atoms to form OLi2V3 trigonal bipyramids that share  a cornercorner with one O(7)Li2V3 trigonal bipyramid,  a cornercorner with one O(13)LiV4 trigonal bipyramid, corners with two equivalent O(6)Li2V3 trigonal bipyramids,  an edgeedge with one O(5)Li2V3 trigonal bipyramid,  an edgeedge with one O(14)LiV4 trigonal bipyramid, edges with two equivalent O(7)Li2V3 trigonal bipyramids, edges with two equivalent O(8)Li2V3 trigonal bipyramids, and edges with two equivalent O(13)LiV4 trigonal bipyramids. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one V(6), and two equivalent V(4) atoms to form OLi2V3 trigonal bipyramids that share  a cornercorner with one O(8)Li2V3 trigonal bipyramid,  a cornercorner with one O(14)LiV4 trigonal bipyramid, corners with two equivalent O(5)Li2V3 trigonal bipyramids,  an edgeedge with one O(6)Li2V3 trigonal bipyramid,  an edgeedge with one O(13)LiV4 trigonal bipyramid, edges with two equivalent O(7)Li2V3 trigonal bipyramids, edges with two equivalent O(8)Li2V3 trigonal bipyramids, and edges with two equivalent O(14)LiV4 trigonal bipyramids. In the seventh O site, O(7) is bonded to one Li(2), one Li(3), one V(3), one V(4), and one V(5) atom to form OLi2V3 trigonal bipyramids that share  a cornercorner with one O(5)Li2V3 trigonal bipyramid,  a cornercorner with one O(14)LiV4 trigonal bipyramid, corners with two equivalent O(8)Li2V3 trigonal bipyramids,  an edgeedge with one O(8)Li2V3 trigonal bipyramid,  an edgeedge with one O(14)LiV4 trigonal bipyramid, edges with two equivalent O(5)Li2V3 trigonal bipyramids, edges with two equivalent O(6)Li2V3 trigonal bipyramids, and edges with two equivalent O(13)LiV4 trigonal bipyramids. In the eighth O site, O(8) is bonded to one Li(2), one Li(3), one V(3), one V(4), and one V(6) atom to form OLi2V3 trigonal bipyramids that share  a cornercorner with one O(6)Li2V3 trigonal bipyramid,  a cornercorner with one O(13)LiV4 trigonal bipyramid, corners with two equivalent O(7)Li2V3 trigonal bipyramids,  an edgeedge with one O(7)Li2V3 trigonal bipyramid,  an edgeedge with one O(13)LiV4 trigonal bipyramid, edges with two equivalent O(5)Li2V3 trigonal bipyramids, edges with two equivalent O(6)Li2V3 trigonal bipyramids, and edges with two equivalent O(14)LiV4 trigonal bipyramids. In the ninth O site, O(9) is bonded in a square co-planar geometry to one Li(1), one V(2), and two equivalent V(1) atoms. In the tenth O site, O(10) is bonded in a square co-planar geometry to one Li(1), one V(1), and two equivalent V(2) atoms. In the eleventh O site, O(11) is bonded in a linear geometry to one V(2) and one V(5) atom. In the twelfth O site, O(12) is bonded in a linear geometry to one V(1) and one V(6) atom. In the thirteenth O site, O(13) is bonded to one Li(3), 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(5)Li2V3 trigonal bipyramid,  a cornercorner with one O(8)Li2V3 trigonal bipyramid, corners with two equivalent O(14)LiV4 trigonal bipyramids,  an edgeedge with one O(6)Li2V3 trigonal bipyramid,  an edgeedge with one O(8)Li2V3 trigonal bipyramid,  an edgeedge with one O(13)LiV4 trigonal bipyramid,  an edgeedge with one O(14)LiV4 trigonal bipyramid, edges with two equivalent O(5)Li2V3 trigonal bipyramids, and edges with two equivalent O(7)Li2V3 trigonal bipyramids. In the fourteenth O site, O(14) 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(6)Li2V3 trigonal bipyramid,  a cornercorner with one O(7)Li2V3 trigonal bipyramid, corners with two equivalent O(13)LiV4 trigonal bipyramids,  an edgeedge with one O(5)Li2V3 trigonal bipyramid,  an edgeedge with one O(7)Li2V3 trigonal bipyramid,  an edgeedge with one O(13)LiV4 trigonal bipyramid,  an edgeedge with one O(14)LiV4 trigonal bipyramid, edges with two equivalent O(6)Li2V3 trigonal bipyramids, and edges with two equivalent O(8)Li2V3 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3V6O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.310
_cell_length_b   8.005
_cell_length_c   10.376
_cell_angle_alpha   90.002
_cell_angle_beta   100.007
_cell_angle_gamma   108.486
_symmetry_Int_Tables_number   1
_cell_volume   488.654
_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  0.989  0.747  0.969  1.0
  Li  Li1  1  0.863  0.216  0.590  1.0
  Li  Li2  1  0.862  0.716  0.587  1.0
  Li  Li3  1  0.137  0.784  0.410  1.0
  Li  Li4  1  0.138  0.284  0.413  1.0
  Li  Li5  1  0.011  0.253  0.031  1.0
  V  V6  1  0.683  0.922  0.001  1.0
  V  V7  1  0.683  0.421  0.003  1.0
  V  V8  1  0.804  0.451  0.365  1.0
  V  V9  1  0.804  0.951  0.364  1.0
  V  V10  1  0.561  0.390  0.638  1.0
  V  V11  1  0.561  0.890  0.637  1.0
  V  V12  1  0.439  0.610  0.362  1.0
  V  V13  1  0.439  0.110  0.363  1.0
  V  V14  1  0.196  0.549  0.635  1.0
  V  V15  1  0.196  0.049  0.636  1.0
  V  V16  1  0.317  0.579  0.997  1.0
  V  V17  1  0.317  0.078  0.999  1.0
  O  O18  1  0.761  0.439  0.198  1.0
  O  O19  1  0.759  0.941  0.198  1.0
  O  O20  1  0.000  0.000  0.000  1.0
  O  O21  1  0.000  0.500  0.000  1.0
  O  O22  1  0.862  0.466  0.584  1.0
  O  O23  1  0.862  0.965  0.584  1.0
  O  O24  1  0.779  0.695  0.391  1.0
  O  O25  1  0.779  0.195  0.392  1.0
  O  O26  1  0.650  0.162  0.002  1.0
  O  O27  1  0.646  0.663  0.998  1.0
  O  O28  1  0.633  0.410  0.803  1.0
  O  O29  1  0.633  0.907  0.801  1.0
  O  O30  1  0.483  0.371  0.403  1.0
  O  O31  1  0.482  0.870  0.403  1.0
  O  O32  1  0.517  0.629  0.597  1.0
  O  O33  1  0.518  0.130  0.597  1.0
  O  O34  1  0.367  0.093  0.199  1.0
  O  O35  1  0.367  0.590  0.197  1.0
  O  O36  1  0.354  0.337  0.002  1.0
  O  O37  1  0.350  0.838  0.998  1.0
  O  O38  1  0.221  0.305  0.609  1.0
  O  O39  1  0.221  0.805  0.608  1.0
  O  O40  1  0.138  0.035  0.416  1.0
  O  O41  1  0.138  0.534  0.416  1.0
  O  O42  1  0.241  0.059  0.802  1.0
  O  O43  1  0.239  0.561  0.802  1.0
[/CIF]
.
The material described by Li3V6O13 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a square co-planar geometry to one O(10), one O(3), one O(4), and one O(9) atom. In the second Li site, Li(2) is bonded to one O(14), one O(5), one O(6), one O(7), and one O(8) atom to form a mixture of corner and edge-sharing LiO5 square pyramids. In the third Li site, Li(3) is bonded to one O(13), one O(5), one O(6), one O(7), and one O(8) atom to form a mixture of corner and edge-sharing LiO5 square pyramids. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(12), one O(2), one O(3), and two equivalent O(9) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the second V site, V(2) is bonded to one O(1), one O(11), one O(4), one O(9), and two equivalent O(10) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(1), one O(13), one O(7), one O(8), and two equivalent O(5) atoms. In the fourth V site, V(4) is bonded in a 6-coordinate geometry to one O(14), one O(2), one O(7), one O(8), and two equivalent O(6) atoms. In the fifth V site, V(5) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(5), one O(7), and two equivalent O(13) atoms. In the sixth V site, V(6) is bonded in a 6-coordinate geometry to one O(12), one O(13), one O(6), one O(8), and two equivalent O(14) atoms. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one V(2) and one V(3) atom. In the second O site, O(2) is bonded in a linear geometry to one V(1) and one V(4) atom. In the third O site, O(3) is bonded in a square co-planar geometry to two equivalent Li(1) and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a square co-planar geometry to two equivalent Li(1) and two equivalent V(2) atoms. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one V(5), and two equivalent V(3) atoms to form OLi2V3 trigonal bipyramids that share  a cornercorner with one O(7)Li2V3 trigonal bipyramid,  a cornercorner with one O(13)LiV4 trigonal bipyramid, corners with two equivalent O(6)Li2V3 trigonal bipyramids,  an edgeedge with one O(5)Li2V3 trigonal bipyramid,  an edgeedge with one O(14)LiV4 trigonal bipyramid, edges with two equivalent O(7)Li2V3 trigonal bipyramids, edges with two equivalent O(8)Li2V3 trigonal bipyramids, and edges with two equivalent O(13)LiV4 trigonal bipyramids. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one V(6), and two equivalent V(4) atoms to form OLi2V3 trigonal bipyramids that share  a cornercorner with one O(8)Li2V3 trigonal bipyramid,  a cornercorner with one O(14)LiV4 trigonal bipyramid, corners with two equivalent O(5)Li2V3 trigonal bipyramids,  an edgeedge with one O(6)Li2V3 trigonal bipyramid,  an edgeedge with one O(13)LiV4 trigonal bipyramid, edges with two equivalent O(7)Li2V3 trigonal bipyramids, edges with two equivalent O(8)Li2V3 trigonal bipyramids, and edges with two equivalent O(14)LiV4 trigonal bipyramids. In the seventh O site, O(7) is bonded to one Li(2), one Li(3), one V(3), one V(4), and one V(5) atom to form OLi2V3 trigonal bipyramids that share  a cornercorner with one O(5)Li2V3 trigonal bipyramid,  a cornercorner with one O(14)LiV4 trigonal bipyramid, corners with two equivalent O(8)Li2V3 trigonal bipyramids,  an edgeedge with one O(8)Li2V3 trigonal bipyramid,  an edgeedge with one O(14)LiV4 trigonal bipyramid, edges with two equivalent O(5)Li2V3 trigonal bipyramids, edges with two equivalent O(6)Li2V3 trigonal bipyramids, and edges with two equivalent O(13)LiV4 trigonal bipyramids. In the eighth O site, O(8) is bonded to one Li(2), one Li(3), one V(3), one V(4), and one V(6) atom to form OLi2V3 trigonal bipyramids that share  a cornercorner with one O(6)Li2V3 trigonal bipyramid,  a cornercorner with one O(13)LiV4 trigonal bipyramid, corners with two equivalent O(7)Li2V3 trigonal bipyramids,  an edgeedge with one O(7)Li2V3 trigonal bipyramid,  an edgeedge with one O(13)LiV4 trigonal bipyramid, edges with two equivalent O(5)Li2V3 trigonal bipyramids, edges with two equivalent O(6)Li2V3 trigonal bipyramids, and edges with two equivalent O(14)LiV4 trigonal bipyramids. In the ninth O site, O(9) is bonded in a square co-planar geometry to one Li(1), one V(2), and two equivalent V(1) atoms. In the tenth O site, O(10) is bonded in a square co-planar geometry to one Li(1), one V(1), and two equivalent V(2) atoms. In the eleventh O site, O(11) is bonded in a linear geometry to one V(2) and one V(5) atom. In the twelfth O site, O(12) is bonded in a linear geometry to one V(1) and one V(6) atom. In the thirteenth O site, O(13) is bonded to one Li(3), 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(5)Li2V3 trigonal bipyramid,  a cornercorner with one O(8)Li2V3 trigonal bipyramid, corners with two equivalent O(14)LiV4 trigonal bipyramids,  an edgeedge with one O(6)Li2V3 trigonal bipyramid,  an edgeedge with one O(8)Li2V3 trigonal bipyramid,  an edgeedge with one O(13)LiV4 trigonal bipyramid,  an edgeedge with one O(14)LiV4 trigonal bipyramid, edges with two equivalent O(5)Li2V3 trigonal bipyramids, and edges with two equivalent O(7)Li2V3 trigonal bipyramids. In the fourteenth O site, O(14) 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(6)Li2V3 trigonal bipyramid,  a cornercorner with one O(7)Li2V3 trigonal bipyramid, corners with two equivalent O(13)LiV4 trigonal bipyramids,  an edgeedge with one O(5)Li2V3 trigonal bipyramid,  an edgeedge with one O(7)Li2V3 trigonal bipyramid,  an edgeedge with one O(13)LiV4 trigonal bipyramid,  an edgeedge with one O(14)LiV4 trigonal bipyramid, edges with two equivalent O(6)Li2V3 trigonal bipyramids, and edges with two equivalent O(8)Li2V3 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3V6O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.310
_cell_length_b   8.005
_cell_length_c   10.376
_cell_angle_alpha   90.002
_cell_angle_beta   100.007
_cell_angle_gamma   108.486
_symmetry_Int_Tables_number   1
_cell_volume   488.654
_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  0.989  0.747  0.969  1.0
  Li  Li1  1  0.863  0.216  0.590  1.0
  Li  Li2  1  0.862  0.716  0.587  1.0
  Li  Li3  1  0.137  0.784  0.410  1.0
  Li  Li4  1  0.138  0.284  0.413  1.0
  Li  Li5  1  0.011  0.253  0.031  1.0
  V  V6  1  0.683  0.922  0.001  1.0
  V  V7  1  0.683  0.421  0.003  1.0
  V  V8  1  0.804  0.451  0.365  1.0
  V  V9  1  0.804  0.951  0.364  1.0
  V  V10  1  0.561  0.390  0.638  1.0
  V  V11  1  0.561  0.890  0.637  1.0
  V  V12  1  0.439  0.610  0.362  1.0
  V  V13  1  0.439  0.110  0.363  1.0
  V  V14  1  0.196  0.549  0.635  1.0
  V  V15  1  0.196  0.049  0.636  1.0
  V  V16  1  0.317  0.579  0.997  1.0
  V  V17  1  0.317  0.078  0.999  1.0
  O  O18  1  0.761  0.439  0.198  1.0
  O  O19  1  0.759  0.941  0.198  1.0
  O  O20  1  0.000  0.000  0.000  1.0
  O  O21  1  0.000  0.500  0.000  1.0
  O  O22  1  0.862  0.466  0.584  1.0
  O  O23  1  0.862  0.965  0.584  1.0
  O  O24  1  0.779  0.695  0.391  1.0
  O  O25  1  0.779  0.195  0.392  1.0
  O  O26  1  0.650  0.162  0.002  1.0
  O  O27  1  0.646  0.663  0.998  1.0
  O  O28  1  0.633  0.410  0.803  1.0
  O  O29  1  0.633  0.907  0.801  1.0
  O  O30  1  0.483  0.371  0.403  1.0
  O  O31  1  0.482  0.870  0.403  1.0
  O  O32  1  0.517  0.629  0.597  1.0
  O  O33  1  0.518  0.130  0.597  1.0
  O  O34  1  0.367  0.093  0.199  1.0
  O  O35  1  0.367  0.590  0.197  1.0
  O  O36  1  0.354  0.337  0.002  1.0
  O  O37  1  0.350  0.838  0.998  1.0
  O  O38  1  0.221  0.305  0.609  1.0
  O  O39  1  0.221  0.805  0.608  1.0
  O  O40  1  0.138  0.035  0.416  1.0
  O  O41  1  0.138  0.534  0.416  1.0
  O  O42  1  0.241  0.059  0.802  1.0
  O  O43  1  0.239  0.561  0.802  1.0
[/CIF]
.