The crystal structure described by Li4V3OF11 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(10), one F(3), one F(6), and one F(9) atom to form distorted LiF4 tetrahedra that share  a cornercorner with one V(2)F6 octahedra,  a cornercorner with one V(1)OF5 octahedra,  a cornercorner with one V(3)OF5 octahedra, and  an edgeedge with one V(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 56-67°. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(1), one F(11), one F(7), one F(8), and two equivalent F(4) atoms. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(1), one F(11), one F(2), one F(4), and two equivalent F(7) atoms. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one F(10), one F(5), one F(6), one F(8), and one F(9) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one F(11), one F(2), one F(6), one F(7), and one F(8) atom to form VOF5 octahedra that share corners with four equivalent V(3)OF5 octahedra and  a cornercorner with one Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-42°. In the second V site, V(2) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(5) atoms to form VF6 octahedra that share corners with four equivalent V(4)F6 octahedra and corners with two equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-37°. In the third V site, V(3) is bonded to one O(1), one F(10), one F(11), one F(2), one F(4), and one F(8) atom to form VOF5 octahedra that share corners with four equivalent V(1)OF5 octahedra and  a cornercorner with one Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-42°. In the fourth V site, V(4) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(9) atoms to form VF6 octahedra that share corners with four equivalent V(2)F6 octahedra and edges with two equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-37°. O(1) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one V(1), and one V(3) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the second F site, F(2) is bonded in a T-shaped geometry to one Li(3), one V(1), and one V(3) atom. In the third F site, F(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(2), and one V(4) atom. In the fourth F site, F(4) is bonded to one Li(3), two equivalent Li(2), and one V(3) atom to form distorted FLi3V trigonal pyramids that share corners with two equivalent F(11)Li2V2 trigonal pyramids, corners with four equivalent F(7)Li3V trigonal pyramids,  an edgeedge with one F(11)Li2V2 trigonal pyramid, and  an edgeedge with one F(4)Li3V trigonal pyramid. In the fifth F site, F(5) is bonded in a bent 120 degrees geometry to one Li(4) and one V(2) atom. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Li(1), one Li(4), and one V(1) atom. In the seventh F site, F(7) is bonded to one Li(2), two equivalent Li(3), and one V(1) atom to form distorted FLi3V trigonal pyramids that share corners with four equivalent F(11)Li2V2 trigonal pyramids, corners with four equivalent F(4)Li3V trigonal pyramids, and  an edgeedge with one F(7)Li3V trigonal pyramid. In the eighth F site, F(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(4), one V(1), and one V(3) atom. In the ninth F site, F(9) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(4), and one V(4) atom. In the tenth F site, F(10) is bonded in a trigonal planar geometry to one Li(1), one Li(4), and one V(3) atom. In the eleventh F site, F(11) is bonded to one Li(2), one Li(3), one V(1), and one V(3) atom to form a mixture of distorted edge and corner-sharing FLi2V2 trigonal pyramids. is represented by the CIF file [CIF]
data_Li4V3OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.282
_cell_length_b   5.513
_cell_length_c   16.018
_cell_angle_alpha   80.944
_cell_angle_beta   89.684
_cell_angle_gamma   88.510
_symmetry_Int_Tables_number   1
_cell_volume   460.543
_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  0.183  0.814  0.842  1.0
  Li  Li1  1  0.489  0.737  0.434  1.0
  Li  Li2  1  0.982  0.773  0.564  1.0
  Li  Li3  1  0.702  0.356  0.821  1.0
  Li  Li4  1  0.817  0.186  0.158  1.0
  Li  Li5  1  0.018  0.227  0.436  1.0
  Li  Li6  1  0.511  0.263  0.566  1.0
  Li  Li7  1  0.298  0.644  0.179  1.0
  V  V8  1  0.981  0.841  0.335  1.0
  V  V9  1  0.500  0.000  0.000  1.0
  V  V10  1  0.019  0.159  0.665  1.0
  V  V11  1  0.488  0.693  0.663  1.0
  V  V12  1  0.512  0.307  0.337  1.0
  V  V13  1  0.000  0.500  0.000  1.0
  O  O14  1  0.689  0.008  0.368  1.0
  O  O15  1  0.311  0.992  0.632  1.0
  F  F16  1  0.696  0.688  0.020  1.0
  F  F17  1  0.828  0.840  0.684  1.0
  F  F18  1  0.202  0.809  0.965  1.0
  F  F19  1  0.628  0.671  0.548  1.0
  F  F20  1  0.587  0.062  0.883  1.0
  F  F21  1  0.925  0.869  0.215  1.0
  F  F22  1  0.131  0.820  0.452  1.0
  F  F23  1  0.075  0.131  0.785  1.0
  F  F24  1  0.413  0.938  0.117  1.0
  F  F25  1  0.798  0.191  0.035  1.0
  F  F26  1  0.692  0.355  0.689  1.0
  F  F27  1  0.172  0.160  0.316  1.0
  F  F28  1  0.304  0.312  0.980  1.0
  F  F29  1  0.869  0.180  0.548  1.0
  F  F30  1  0.924  0.545  0.881  1.0
  F  F31  1  0.580  0.379  0.217  1.0
  F  F32  1  0.420  0.621  0.783  1.0
  F  F33  1  0.076  0.455  0.119  1.0
  F  F34  1  0.372  0.329  0.452  1.0
  F  F35  1  0.808  0.507  0.374  1.0
  F  F36  1  0.192  0.493  0.626  1.0
  F  F37  1  0.308  0.645  0.311  1.0
[/CIF]
.
The crystal structure described by Li4V3OF11 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(10), one F(3), one F(6), and one F(9) atom to form distorted LiF4 tetrahedra that share  a cornercorner with one V(2)F6 octahedra,  a cornercorner with one V(1)OF5 octahedra,  a cornercorner with one V(3)OF5 octahedra, and  an edgeedge with one V(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 56-67°. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(1), one F(11), one F(7), one F(8), and two equivalent F(4) atoms. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(1), one F(11), one F(2), one F(4), and two equivalent F(7) atoms. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one F(10), one F(5), one F(6), one F(8), and one F(9) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one F(11), one F(2), one F(6), one F(7), and one F(8) atom to form VOF5 octahedra that share corners with four equivalent V(3)OF5 octahedra and  a cornercorner with one Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-42°. In the second V site, V(2) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(5) atoms to form VF6 octahedra that share corners with four equivalent V(4)F6 octahedra and corners with two equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-37°. In the third V site, V(3) is bonded to one O(1), one F(10), one F(11), one F(2), one F(4), and one F(8) atom to form VOF5 octahedra that share corners with four equivalent V(1)OF5 octahedra and  a cornercorner with one Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-42°. In the fourth V site, V(4) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(9) atoms to form VF6 octahedra that share corners with four equivalent V(2)F6 octahedra and edges with two equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-37°. O(1) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one V(1), and one V(3) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the second F site, F(2) is bonded in a T-shaped geometry to one Li(3), one V(1), and one V(3) atom. In the third F site, F(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(2), and one V(4) atom. In the fourth F site, F(4) is bonded to one Li(3), two equivalent Li(2), and one V(3) atom to form distorted FLi3V trigonal pyramids that share corners with two equivalent F(11)Li2V2 trigonal pyramids, corners with four equivalent F(7)Li3V trigonal pyramids,  an edgeedge with one F(11)Li2V2 trigonal pyramid, and  an edgeedge with one F(4)Li3V trigonal pyramid. In the fifth F site, F(5) is bonded in a bent 120 degrees geometry to one Li(4) and one V(2) atom. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Li(1), one Li(4), and one V(1) atom. In the seventh F site, F(7) is bonded to one Li(2), two equivalent Li(3), and one V(1) atom to form distorted FLi3V trigonal pyramids that share corners with four equivalent F(11)Li2V2 trigonal pyramids, corners with four equivalent F(4)Li3V trigonal pyramids, and  an edgeedge with one F(7)Li3V trigonal pyramid. In the eighth F site, F(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(4), one V(1), and one V(3) atom. In the ninth F site, F(9) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(4), and one V(4) atom. In the tenth F site, F(10) is bonded in a trigonal planar geometry to one Li(1), one Li(4), and one V(3) atom. In the eleventh F site, F(11) is bonded to one Li(2), one Li(3), one V(1), and one V(3) atom to form a mixture of distorted edge and corner-sharing FLi2V2 trigonal pyramids. is represented by the CIF file [CIF]
data_Li4V3OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.282
_cell_length_b   5.513
_cell_length_c   16.018
_cell_angle_alpha   80.944
_cell_angle_beta   89.684
_cell_angle_gamma   88.510
_symmetry_Int_Tables_number   1
_cell_volume   460.543
_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  0.183  0.814  0.842  1.0
  Li  Li1  1  0.489  0.737  0.434  1.0
  Li  Li2  1  0.982  0.773  0.564  1.0
  Li  Li3  1  0.702  0.356  0.821  1.0
  Li  Li4  1  0.817  0.186  0.158  1.0
  Li  Li5  1  0.018  0.227  0.436  1.0
  Li  Li6  1  0.511  0.263  0.566  1.0
  Li  Li7  1  0.298  0.644  0.179  1.0
  V  V8  1  0.981  0.841  0.335  1.0
  V  V9  1  0.500  0.000  0.000  1.0
  V  V10  1  0.019  0.159  0.665  1.0
  V  V11  1  0.488  0.693  0.663  1.0
  V  V12  1  0.512  0.307  0.337  1.0
  V  V13  1  0.000  0.500  0.000  1.0
  O  O14  1  0.689  0.008  0.368  1.0
  O  O15  1  0.311  0.992  0.632  1.0
  F  F16  1  0.696  0.688  0.020  1.0
  F  F17  1  0.828  0.840  0.684  1.0
  F  F18  1  0.202  0.809  0.965  1.0
  F  F19  1  0.628  0.671  0.548  1.0
  F  F20  1  0.587  0.062  0.883  1.0
  F  F21  1  0.925  0.869  0.215  1.0
  F  F22  1  0.131  0.820  0.452  1.0
  F  F23  1  0.075  0.131  0.785  1.0
  F  F24  1  0.413  0.938  0.117  1.0
  F  F25  1  0.798  0.191  0.035  1.0
  F  F26  1  0.692  0.355  0.689  1.0
  F  F27  1  0.172  0.160  0.316  1.0
  F  F28  1  0.304  0.312  0.980  1.0
  F  F29  1  0.869  0.180  0.548  1.0
  F  F30  1  0.924  0.545  0.881  1.0
  F  F31  1  0.580  0.379  0.217  1.0
  F  F32  1  0.420  0.621  0.783  1.0
  F  F33  1  0.076  0.455  0.119  1.0
  F  F34  1  0.372  0.329  0.452  1.0
  F  F35  1  0.808  0.507  0.374  1.0
  F  F36  1  0.192  0.493  0.626  1.0
  F  F37  1  0.308  0.645  0.311  1.0
[/CIF]
.