The compound described by Li3VF5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to one F(1), one F(2), and two equivalent F(4) atoms. In the second Li site, Li(2) is bonded to one F(1), one F(2), one F(3), and two equivalent F(4) atoms to form LiF5 trigonal bipyramids that share corners with four equivalent V(1)F6 octahedra and  an edgeedge with one V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 35-63°. V(1) is bonded to one F(1), one F(2), two equivalent F(3), and two equivalent F(4) atoms to form VF6 octahedra that share corners with two equivalent V(1)F6 octahedra, corners with four equivalent Li(2)F5 trigonal bipyramids, and  an edgeedge with one Li(2)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 35°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Li(1), and one V(1) atom. In the second F site, F(2) is bonded in a trigonal pyramidal geometry to one Li(2), two equivalent Li(1), and one V(1) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Li(2) and two equivalent V(1) atoms. In the fourth F site, F(4) is bonded in a distorted see-saw-like geometry to one Li(2), two equivalent Li(1), and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3VF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.634
_cell_length_b   7.889
_cell_length_c   8.107
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   424.254
_cell_formula_units_Z   4
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  0.984  0.926  0.228  1.0
  Li  Li1  1  0.984  0.574  0.228  1.0
  Li  Li2  1  0.792  0.250  0.528  1.0
  Li  Li3  1  0.708  0.750  0.028  1.0
  Li  Li4  1  0.516  0.426  0.728  1.0
  Li  Li5  1  0.516  0.074  0.728  1.0
  Li  Li6  1  0.484  0.926  0.272  1.0
  Li  Li7  1  0.484  0.574  0.272  1.0
  Li  Li8  1  0.292  0.250  0.972  1.0
  Li  Li9  1  0.208  0.750  0.472  1.0
  Li  Li10  1  0.016  0.074  0.772  1.0
  Li  Li11  1  0.016  0.426  0.772  1.0
  V  V12  1  0.771  0.750  0.602  1.0
  V  V13  1  0.729  0.250  0.102  1.0
  V  V14  1  0.271  0.750  0.898  1.0
  V  V15  1  0.229  0.250  0.398  1.0
  F  F16  1  0.994  0.250  0.956  1.0
  F  F17  1  0.926  0.750  0.378  1.0
  F  F18  1  0.920  0.250  0.312  1.0
  F  F19  1  0.777  0.483  0.641  1.0
  F  F20  1  0.777  0.017  0.641  1.0
  F  F21  1  0.723  0.983  0.141  1.0
  F  F22  1  0.723  0.517  0.141  1.0
  F  F23  1  0.580  0.750  0.812  1.0
  F  F24  1  0.574  0.250  0.878  1.0
  F  F25  1  0.506  0.750  0.456  1.0
  F  F26  1  0.494  0.250  0.544  1.0
  F  F27  1  0.426  0.750  0.122  1.0
  F  F28  1  0.420  0.250  0.188  1.0
  F  F29  1  0.277  0.483  0.859  1.0
  F  F30  1  0.277  0.017  0.859  1.0
  F  F31  1  0.223  0.983  0.359  1.0
  F  F32  1  0.223  0.517  0.359  1.0
  F  F33  1  0.080  0.750  0.688  1.0
  F  F34  1  0.074  0.250  0.622  1.0
  F  F35  1  0.006  0.750  0.044  1.0
[/CIF]
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The compound described by Li3VF5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to one F(1), one F(2), and two equivalent F(4) atoms. In the second Li site, Li(2) is bonded to one F(1), one F(2), one F(3), and two equivalent F(4) atoms to form LiF5 trigonal bipyramids that share corners with four equivalent V(1)F6 octahedra and  an edgeedge with one V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 35-63°. V(1) is bonded to one F(1), one F(2), two equivalent F(3), and two equivalent F(4) atoms to form VF6 octahedra that share corners with two equivalent V(1)F6 octahedra, corners with four equivalent Li(2)F5 trigonal bipyramids, and  an edgeedge with one Li(2)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 35°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Li(1), and one V(1) atom. In the second F site, F(2) is bonded in a trigonal pyramidal geometry to one Li(2), two equivalent Li(1), and one V(1) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Li(2) and two equivalent V(1) atoms. In the fourth F site, F(4) is bonded in a distorted see-saw-like geometry to one Li(2), two equivalent Li(1), and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3VF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.634
_cell_length_b   7.889
_cell_length_c   8.107
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   424.254
_cell_formula_units_Z   4
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  0.984  0.926  0.228  1.0
  Li  Li1  1  0.984  0.574  0.228  1.0
  Li  Li2  1  0.792  0.250  0.528  1.0
  Li  Li3  1  0.708  0.750  0.028  1.0
  Li  Li4  1  0.516  0.426  0.728  1.0
  Li  Li5  1  0.516  0.074  0.728  1.0
  Li  Li6  1  0.484  0.926  0.272  1.0
  Li  Li7  1  0.484  0.574  0.272  1.0
  Li  Li8  1  0.292  0.250  0.972  1.0
  Li  Li9  1  0.208  0.750  0.472  1.0
  Li  Li10  1  0.016  0.074  0.772  1.0
  Li  Li11  1  0.016  0.426  0.772  1.0
  V  V12  1  0.771  0.750  0.602  1.0
  V  V13  1  0.729  0.250  0.102  1.0
  V  V14  1  0.271  0.750  0.898  1.0
  V  V15  1  0.229  0.250  0.398  1.0
  F  F16  1  0.994  0.250  0.956  1.0
  F  F17  1  0.926  0.750  0.378  1.0
  F  F18  1  0.920  0.250  0.312  1.0
  F  F19  1  0.777  0.483  0.641  1.0
  F  F20  1  0.777  0.017  0.641  1.0
  F  F21  1  0.723  0.983  0.141  1.0
  F  F22  1  0.723  0.517  0.141  1.0
  F  F23  1  0.580  0.750  0.812  1.0
  F  F24  1  0.574  0.250  0.878  1.0
  F  F25  1  0.506  0.750  0.456  1.0
  F  F26  1  0.494  0.250  0.544  1.0
  F  F27  1  0.426  0.750  0.122  1.0
  F  F28  1  0.420  0.250  0.188  1.0
  F  F29  1  0.277  0.483  0.859  1.0
  F  F30  1  0.277  0.017  0.859  1.0
  F  F31  1  0.223  0.983  0.359  1.0
  F  F32  1  0.223  0.517  0.359  1.0
  F  F33  1  0.080  0.750  0.688  1.0
  F  F34  1  0.074  0.250  0.622  1.0
  F  F35  1  0.006  0.750  0.044  1.0
[/CIF]
.