The compound described by Li3V4O5F7 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one F(1), one F(2), one F(4), and one F(5) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(5), one F(2), one F(3), one F(4), one F(5), and one F(6) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(2), one F(1), one F(2), one F(3), one F(5), and one F(7) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(5), one F(1), one F(3), and one F(6) atom to form distorted VO4F3 pentagonal bipyramids that share  a cornercorner with one V(4)O3F3 octahedra,  an edgeedge with one V(4)O3F3 octahedra, edges with two equivalent V(2)O4F2 octahedra, and edges with two equivalent V(3)O4F3 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 38°. In the second V site, V(2) is bonded to one O(2), one O(3), one O(4), one O(5), one F(1), and one F(2) atom to form distorted VO4F2 octahedra that share corners with two equivalent V(4)O3F3 octahedra,  a cornercorner with one V(3)O4F3 pentagonal bipyramid,  an edgeedge with one V(3)O4F3 pentagonal bipyramid, and edges with two equivalent V(1)O4F3 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 38-51°. In the third V site, V(3) is bonded to one O(1), one O(3), one O(4), one O(5), one F(3), one F(5), and one F(7) atom to form distorted VO4F3 pentagonal bipyramids that share  a cornercorner with one V(4)O3F3 octahedra,  a cornercorner with one V(2)O4F2 octahedra,  an edgeedge with one V(4)O3F3 octahedra,  an edgeedge with one V(2)O4F2 octahedra, and edges with two equivalent V(1)O4F3 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 43-45°. In the fourth V site, V(4) is bonded to one O(1), one O(2), one O(4), one F(4), one F(6), and one F(7) atom to form VO3F3 octahedra that share corners with two equivalent V(2)O4F2 octahedra,  a cornercorner with one V(1)O4F3 pentagonal bipyramid,  a cornercorner with one V(3)O4F3 pentagonal bipyramid,  an edgeedge with one V(1)O4F3 pentagonal bipyramid, and  an edgeedge with one V(3)O4F3 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 38-51°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one V(1), one V(3), and one V(4) atom to form OLiV3 tetrahedra that share corners with two equivalent O(5)LiV3 tetrahedra, corners with two equivalent F(1)Li2V2 tetrahedra,  a cornercorner with one F(2)Li3V trigonal pyramid, corners with two equivalent F(5)Li3V trigonal pyramids,  an edgeedge with one O(2)LiV3 tetrahedra, and  an edgeedge with one F(3)Li2V2 trigonal pyramid. In the second O site, O(2) is bonded to one Li(3), one V(1), one V(2), and one V(4) atom to form distorted OLiV3 tetrahedra that share  a cornercorner with one F(1)Li2V2 tetrahedra,  a cornercorner with one F(5)Li3V trigonal pyramid, corners with two equivalent F(3)Li2V2 trigonal pyramids, corners with two equivalent F(2)Li3V trigonal pyramids,  an edgeedge with one O(1)LiV3 tetrahedra,  an edgeedge with one O(5)LiV3 tetrahedra, and  an edgeedge with one F(1)Li2V2 tetrahedra. In the third O site, O(3) is bonded in a distorted 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 in a distorted trigonal non-coplanar geometry to one V(2), one V(3), and one V(4) atom. In the fifth O site, O(5) is bonded to one Li(2), one V(1), one V(2), and one V(3) atom to form OLiV3 tetrahedra that share corners with two equivalent O(1)LiV3 tetrahedra, corners with two equivalent F(1)Li2V2 tetrahedra,  a cornercorner with one F(3)Li2V2 trigonal pyramid, corners with two equivalent F(5)Li3V trigonal pyramids,  an edgeedge with one O(2)LiV3 tetrahedra,  an edgeedge with one F(3)Li2V2 trigonal pyramid, and  an edgeedge with one F(2)Li3V trigonal pyramid. There are seven inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Li(3), one V(1), and one V(2) atom to form FLi2V2 tetrahedra that share  a cornercorner with one O(2)LiV3 tetrahedra, corners with two equivalent O(1)LiV3 tetrahedra, corners with two equivalent O(5)LiV3 tetrahedra,  a cornercorner with one F(2)Li3V trigonal pyramid, corners with two equivalent F(5)Li3V trigonal pyramids,  an edgeedge with one O(2)LiV3 tetrahedra,  an edgeedge with one F(3)Li2V2 trigonal pyramid, and  an edgeedge with one F(2)Li3V trigonal pyramid. In the second F site, F(2) is bonded to one Li(1), one Li(2), one Li(3), and one V(2) atom to form distorted FLi3V trigonal pyramids that share  a cornercorner with one O(1)LiV3 tetrahedra,  a cornercorner with one F(1)Li2V2 tetrahedra, corners with two equivalent O(2)LiV3 tetrahedra,  a cornercorner with one F(5)Li3V trigonal pyramid, corners with two equivalent F(3)Li2V2 trigonal pyramids,  an edgeedge with one O(5)LiV3 tetrahedra,  an edgeedge with one F(1)Li2V2 tetrahedra, and  an edgeedge with one F(5)Li3V trigonal pyramid. In the third F site, F(3) is bonded to one Li(2), one Li(3), one V(1), and one V(3) atom to form distorted FLi2V2 trigonal pyramids that share  a cornercorner with one O(5)LiV3 tetrahedra, corners with two equivalent O(2)LiV3 tetrahedra,  a cornercorner with one F(5)Li3V trigonal pyramid, corners with two equivalent F(2)Li3V trigonal pyramids,  an edgeedge with one O(1)LiV3 tetrahedra,  an edgeedge with one O(5)LiV3 tetrahedra,  an edgeedge with one F(1)Li2V2 tetrahedra, and  an edgeedge with one F(5)Li3V trigonal pyramid. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one V(4) atom. In the fifth F site, F(5) is bonded to one Li(1), one Li(2), one Li(3), and one V(3) atom to form distorted FLi3V trigonal pyramids that share  a cornercorner with one O(2)LiV3 tetrahedra, corners with two equivalent O(1)LiV3 tetrahedra, corners with two equivalent O(5)LiV3 tetrahedra, corners with two equivalent F(1)Li2V2 tetrahedra,  a cornercorner with one F(3)Li2V2 trigonal pyramid,  a cornercorner with one F(2)Li3V trigonal pyramid,  an edgeedge with one F(3)Li2V2 trigonal pyramid, and  an edgeedge with one F(2)Li3V trigonal pyramid. In the sixth F site, F(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one V(1), and one V(4) atom. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Li(3), one V(3), and one V(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3V4O5F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.774
_cell_length_b   5.864
_cell_length_c   6.174
_cell_angle_alpha   100.264
_cell_angle_beta   98.181
_cell_angle_gamma   98.081
_symmetry_Int_Tables_number   1
_cell_volume   200.587
_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  0.593  0.325  0.141  1.0
  Li  Li1  1  0.134  0.590  0.321  1.0
  Li  Li2  1  0.664  0.852  0.377  1.0
  V  V3  1  0.299  0.145  0.627  1.0
  V  V4  1  0.849  0.395  0.663  1.0
  V  V5  1  0.381  0.692  0.859  1.0
  V  V6  1  0.022  0.993  0.986  1.0
  O  O7  1  0.335  0.058  0.936  1.0
  O  O8  1  0.950  0.101  0.711  1.0
  O  O9  1  0.591  0.424  0.798  1.0
  O  O10  1  0.027  0.683  0.891  1.0
  O  O11  1  0.175  0.436  0.599  1.0
  F  F12  1  0.589  0.180  0.420  1.0
  F  F13  1  0.810  0.598  0.443  1.0
  F  F14  1  0.436  0.831  0.586  1.0
  F  F15  1  0.944  0.287  0.129  1.0
  F  F16  1  0.392  0.579  0.154  1.0
  F  F17  1  0.114  0.960  0.315  1.0
  F  F18  1  0.694  0.872  0.045  1.0
[/CIF]
.
The compound described by Li3V4O5F7 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one F(1), one F(2), one F(4), and one F(5) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(5), one F(2), one F(3), one F(4), one F(5), and one F(6) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(2), one F(1), one F(2), one F(3), one F(5), and one F(7) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(5), one F(1), one F(3), and one F(6) atom to form distorted VO4F3 pentagonal bipyramids that share  a cornercorner with one V(4)O3F3 octahedra,  an edgeedge with one V(4)O3F3 octahedra, edges with two equivalent V(2)O4F2 octahedra, and edges with two equivalent V(3)O4F3 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 38°. In the second V site, V(2) is bonded to one O(2), one O(3), one O(4), one O(5), one F(1), and one F(2) atom to form distorted VO4F2 octahedra that share corners with two equivalent V(4)O3F3 octahedra,  a cornercorner with one V(3)O4F3 pentagonal bipyramid,  an edgeedge with one V(3)O4F3 pentagonal bipyramid, and edges with two equivalent V(1)O4F3 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 38-51°. In the third V site, V(3) is bonded to one O(1), one O(3), one O(4), one O(5), one F(3), one F(5), and one F(7) atom to form distorted VO4F3 pentagonal bipyramids that share  a cornercorner with one V(4)O3F3 octahedra,  a cornercorner with one V(2)O4F2 octahedra,  an edgeedge with one V(4)O3F3 octahedra,  an edgeedge with one V(2)O4F2 octahedra, and edges with two equivalent V(1)O4F3 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 43-45°. In the fourth V site, V(4) is bonded to one O(1), one O(2), one O(4), one F(4), one F(6), and one F(7) atom to form VO3F3 octahedra that share corners with two equivalent V(2)O4F2 octahedra,  a cornercorner with one V(1)O4F3 pentagonal bipyramid,  a cornercorner with one V(3)O4F3 pentagonal bipyramid,  an edgeedge with one V(1)O4F3 pentagonal bipyramid, and  an edgeedge with one V(3)O4F3 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 38-51°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one V(1), one V(3), and one V(4) atom to form OLiV3 tetrahedra that share corners with two equivalent O(5)LiV3 tetrahedra, corners with two equivalent F(1)Li2V2 tetrahedra,  a cornercorner with one F(2)Li3V trigonal pyramid, corners with two equivalent F(5)Li3V trigonal pyramids,  an edgeedge with one O(2)LiV3 tetrahedra, and  an edgeedge with one F(3)Li2V2 trigonal pyramid. In the second O site, O(2) is bonded to one Li(3), one V(1), one V(2), and one V(4) atom to form distorted OLiV3 tetrahedra that share  a cornercorner with one F(1)Li2V2 tetrahedra,  a cornercorner with one F(5)Li3V trigonal pyramid, corners with two equivalent F(3)Li2V2 trigonal pyramids, corners with two equivalent F(2)Li3V trigonal pyramids,  an edgeedge with one O(1)LiV3 tetrahedra,  an edgeedge with one O(5)LiV3 tetrahedra, and  an edgeedge with one F(1)Li2V2 tetrahedra. In the third O site, O(3) is bonded in a distorted 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 in a distorted trigonal non-coplanar geometry to one V(2), one V(3), and one V(4) atom. In the fifth O site, O(5) is bonded to one Li(2), one V(1), one V(2), and one V(3) atom to form OLiV3 tetrahedra that share corners with two equivalent O(1)LiV3 tetrahedra, corners with two equivalent F(1)Li2V2 tetrahedra,  a cornercorner with one F(3)Li2V2 trigonal pyramid, corners with two equivalent F(5)Li3V trigonal pyramids,  an edgeedge with one O(2)LiV3 tetrahedra,  an edgeedge with one F(3)Li2V2 trigonal pyramid, and  an edgeedge with one F(2)Li3V trigonal pyramid. There are seven inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Li(3), one V(1), and one V(2) atom to form FLi2V2 tetrahedra that share  a cornercorner with one O(2)LiV3 tetrahedra, corners with two equivalent O(1)LiV3 tetrahedra, corners with two equivalent O(5)LiV3 tetrahedra,  a cornercorner with one F(2)Li3V trigonal pyramid, corners with two equivalent F(5)Li3V trigonal pyramids,  an edgeedge with one O(2)LiV3 tetrahedra,  an edgeedge with one F(3)Li2V2 trigonal pyramid, and  an edgeedge with one F(2)Li3V trigonal pyramid. In the second F site, F(2) is bonded to one Li(1), one Li(2), one Li(3), and one V(2) atom to form distorted FLi3V trigonal pyramids that share  a cornercorner with one O(1)LiV3 tetrahedra,  a cornercorner with one F(1)Li2V2 tetrahedra, corners with two equivalent O(2)LiV3 tetrahedra,  a cornercorner with one F(5)Li3V trigonal pyramid, corners with two equivalent F(3)Li2V2 trigonal pyramids,  an edgeedge with one O(5)LiV3 tetrahedra,  an edgeedge with one F(1)Li2V2 tetrahedra, and  an edgeedge with one F(5)Li3V trigonal pyramid. In the third F site, F(3) is bonded to one Li(2), one Li(3), one V(1), and one V(3) atom to form distorted FLi2V2 trigonal pyramids that share  a cornercorner with one O(5)LiV3 tetrahedra, corners with two equivalent O(2)LiV3 tetrahedra,  a cornercorner with one F(5)Li3V trigonal pyramid, corners with two equivalent F(2)Li3V trigonal pyramids,  an edgeedge with one O(1)LiV3 tetrahedra,  an edgeedge with one O(5)LiV3 tetrahedra,  an edgeedge with one F(1)Li2V2 tetrahedra, and  an edgeedge with one F(5)Li3V trigonal pyramid. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one V(4) atom. In the fifth F site, F(5) is bonded to one Li(1), one Li(2), one Li(3), and one V(3) atom to form distorted FLi3V trigonal pyramids that share  a cornercorner with one O(2)LiV3 tetrahedra, corners with two equivalent O(1)LiV3 tetrahedra, corners with two equivalent O(5)LiV3 tetrahedra, corners with two equivalent F(1)Li2V2 tetrahedra,  a cornercorner with one F(3)Li2V2 trigonal pyramid,  a cornercorner with one F(2)Li3V trigonal pyramid,  an edgeedge with one F(3)Li2V2 trigonal pyramid, and  an edgeedge with one F(2)Li3V trigonal pyramid. In the sixth F site, F(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one V(1), and one V(4) atom. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Li(3), one V(3), and one V(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3V4O5F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.774
_cell_length_b   5.864
_cell_length_c   6.174
_cell_angle_alpha   100.264
_cell_angle_beta   98.181
_cell_angle_gamma   98.081
_symmetry_Int_Tables_number   1
_cell_volume   200.587
_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  0.593  0.325  0.141  1.0
  Li  Li1  1  0.134  0.590  0.321  1.0
  Li  Li2  1  0.664  0.852  0.377  1.0
  V  V3  1  0.299  0.145  0.627  1.0
  V  V4  1  0.849  0.395  0.663  1.0
  V  V5  1  0.381  0.692  0.859  1.0
  V  V6  1  0.022  0.993  0.986  1.0
  O  O7  1  0.335  0.058  0.936  1.0
  O  O8  1  0.950  0.101  0.711  1.0
  O  O9  1  0.591  0.424  0.798  1.0
  O  O10  1  0.027  0.683  0.891  1.0
  O  O11  1  0.175  0.436  0.599  1.0
  F  F12  1  0.589  0.180  0.420  1.0
  F  F13  1  0.810  0.598  0.443  1.0
  F  F14  1  0.436  0.831  0.586  1.0
  F  F15  1  0.944  0.287  0.129  1.0
  F  F16  1  0.392  0.579  0.154  1.0
  F  F17  1  0.114  0.960  0.315  1.0
  F  F18  1  0.694  0.872  0.045  1.0
[/CIF]
.