The material described by LiVF5 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one F(1), one F(2), one F(4), and two equivalent F(3) atoms to form LiF5 trigonal bipyramids that share corners with five equivalent V(1)F6 octahedra and  an edgeedge with one Li(1)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 2-52°. V(1) is bonded to one F(1), one F(2), one F(3), one F(4), and two equivalent F(5) atoms to form VF6 octahedra that share corners with two equivalent V(1)F6 octahedra and corners with five equivalent Li(1)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 30°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one Li(1) and one V(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one V(1) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.434
_cell_length_b   5.105
_cell_length_c   7.441
_cell_angle_alpha   74.117
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   344.718
_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  0.485  0.515  0.684  1.0
  Li  Li1  1  0.985  0.485  0.816  1.0
  Li  Li2  1  0.015  0.515  0.184  1.0
  Li  Li3  1  0.515  0.485  0.316  1.0
  V  V4  1  0.747  0.070  0.138  1.0
  V  V5  1  0.247  0.930  0.362  1.0
  V  V6  1  0.753  0.070  0.638  1.0
  V  V7  1  0.253  0.930  0.862  1.0
  F  F8  1  0.625  0.807  0.656  1.0
  F  F9  1  0.624  0.337  0.137  1.0
  F  F10  1  0.886  0.336  0.042  1.0
  F  F11  1  0.109  0.183  0.273  1.0
  F  F12  1  0.802  0.075  0.389  1.0
  F  F13  1  0.876  0.337  0.637  1.0
  F  F14  1  0.125  0.193  0.844  1.0
  F  F15  1  0.614  0.336  0.542  1.0
  F  F16  1  0.391  0.183  0.773  1.0
  F  F17  1  0.698  0.075  0.889  1.0
  F  F18  1  0.302  0.925  0.111  1.0
  F  F19  1  0.609  0.817  0.227  1.0
  F  F20  1  0.386  0.664  0.458  1.0
  F  F21  1  0.875  0.807  0.156  1.0
  F  F22  1  0.124  0.663  0.363  1.0
  F  F23  1  0.198  0.925  0.611  1.0
  F  F24  1  0.891  0.817  0.727  1.0
  F  F25  1  0.114  0.664  0.958  1.0
  F  F26  1  0.376  0.663  0.863  1.0
  F  F27  1  0.375  0.193  0.344  1.0
[/CIF]
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The material described by LiVF5 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one F(1), one F(2), one F(4), and two equivalent F(3) atoms to form LiF5 trigonal bipyramids that share corners with five equivalent V(1)F6 octahedra and  an edgeedge with one Li(1)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 2-52°. V(1) is bonded to one F(1), one F(2), one F(3), one F(4), and two equivalent F(5) atoms to form VF6 octahedra that share corners with two equivalent V(1)F6 octahedra and corners with five equivalent Li(1)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 30°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one Li(1) and one V(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one V(1) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.434
_cell_length_b   5.105
_cell_length_c   7.441
_cell_angle_alpha   74.117
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   344.718
_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  0.485  0.515  0.684  1.0
  Li  Li1  1  0.985  0.485  0.816  1.0
  Li  Li2  1  0.015  0.515  0.184  1.0
  Li  Li3  1  0.515  0.485  0.316  1.0
  V  V4  1  0.747  0.070  0.138  1.0
  V  V5  1  0.247  0.930  0.362  1.0
  V  V6  1  0.753  0.070  0.638  1.0
  V  V7  1  0.253  0.930  0.862  1.0
  F  F8  1  0.625  0.807  0.656  1.0
  F  F9  1  0.624  0.337  0.137  1.0
  F  F10  1  0.886  0.336  0.042  1.0
  F  F11  1  0.109  0.183  0.273  1.0
  F  F12  1  0.802  0.075  0.389  1.0
  F  F13  1  0.876  0.337  0.637  1.0
  F  F14  1  0.125  0.193  0.844  1.0
  F  F15  1  0.614  0.336  0.542  1.0
  F  F16  1  0.391  0.183  0.773  1.0
  F  F17  1  0.698  0.075  0.889  1.0
  F  F18  1  0.302  0.925  0.111  1.0
  F  F19  1  0.609  0.817  0.227  1.0
  F  F20  1  0.386  0.664  0.458  1.0
  F  F21  1  0.875  0.807  0.156  1.0
  F  F22  1  0.124  0.663  0.363  1.0
  F  F23  1  0.198  0.925  0.611  1.0
  F  F24  1  0.891  0.817  0.727  1.0
  F  F25  1  0.114  0.664  0.958  1.0
  F  F26  1  0.376  0.663  0.863  1.0
  F  F27  1  0.375  0.193  0.344  1.0
[/CIF]
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