The compound 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(3), one F(5), and two equivalent F(4) atoms to form distorted LiF6 octahedra that share  a cornercorner with one V(1)F6 octahedra, corners with two equivalent Li(1)F6 octahedra, and edges with three equivalent V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 2-21°. V(1) is bonded to one F(2), one F(3), one F(4), one F(5), and two equivalent F(1) atoms to form VF6 octahedra that share  a cornercorner with one Li(1)F6 octahedra,  an edgeedge with one V(1)F6 octahedra, and edges with three equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1) and two equivalent V(1) atoms. In the second F site, F(2) is bonded in a water-like geometry to one Li(1) and one V(1) atom. In the third F site, F(3) is bonded in a linear geometry to one Li(1) and one V(1) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one V(1) atom. In the fifth F site, F(5) is bonded in a water-like geometry to one Li(1) and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.745
_cell_length_b   6.323
_cell_length_c   8.876
_cell_angle_alpha   49.298
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   372.085
_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  0.896  0.472  0.782  1.0
  Li  Li1  1  0.396  0.528  0.718  1.0
  Li  Li2  1  0.604  0.472  0.282  1.0
  Li  Li3  1  0.104  0.528  0.218  1.0
  V  V4  1  0.377  0.887  0.931  1.0
  V  V5  1  0.877  0.113  0.569  1.0
  V  V6  1  0.123  0.887  0.431  1.0
  V  V7  1  0.623  0.113  0.069  1.0
  F  F8  1  0.604  0.885  0.979  1.0
  F  F9  1  0.168  0.859  0.956  1.0
  F  F10  1  0.391  0.712  0.830  1.0
  F  F11  1  0.619  0.428  0.800  1.0
  F  F12  1  0.889  0.768  0.813  1.0
  F  F13  1  0.119  0.572  0.700  1.0
  F  F14  1  0.389  0.232  0.687  1.0
  F  F15  1  0.891  0.288  0.670  1.0
  F  F16  1  0.668  0.141  0.544  1.0
  F  F17  1  0.104  0.115  0.521  1.0
  F  F18  1  0.896  0.885  0.479  1.0
  F  F19  1  0.332  0.859  0.456  1.0
  F  F20  1  0.109  0.712  0.330  1.0
  F  F21  1  0.611  0.768  0.313  1.0
  F  F22  1  0.881  0.428  0.300  1.0
  F  F23  1  0.111  0.232  0.187  1.0
  F  F24  1  0.381  0.572  0.200  1.0
  F  F25  1  0.609  0.288  0.170  1.0
  F  F26  1  0.832  0.141  0.044  1.0
  F  F27  1  0.396  0.115  0.021  1.0
[/CIF]
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The compound 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(3), one F(5), and two equivalent F(4) atoms to form distorted LiF6 octahedra that share  a cornercorner with one V(1)F6 octahedra, corners with two equivalent Li(1)F6 octahedra, and edges with three equivalent V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 2-21°. V(1) is bonded to one F(2), one F(3), one F(4), one F(5), and two equivalent F(1) atoms to form VF6 octahedra that share  a cornercorner with one Li(1)F6 octahedra,  an edgeedge with one V(1)F6 octahedra, and edges with three equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1) and two equivalent V(1) atoms. In the second F site, F(2) is bonded in a water-like geometry to one Li(1) and one V(1) atom. In the third F site, F(3) is bonded in a linear geometry to one Li(1) and one V(1) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one V(1) atom. In the fifth F site, F(5) is bonded in a water-like geometry to one Li(1) and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.745
_cell_length_b   6.323
_cell_length_c   8.876
_cell_angle_alpha   49.298
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   372.085
_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  0.896  0.472  0.782  1.0
  Li  Li1  1  0.396  0.528  0.718  1.0
  Li  Li2  1  0.604  0.472  0.282  1.0
  Li  Li3  1  0.104  0.528  0.218  1.0
  V  V4  1  0.377  0.887  0.931  1.0
  V  V5  1  0.877  0.113  0.569  1.0
  V  V6  1  0.123  0.887  0.431  1.0
  V  V7  1  0.623  0.113  0.069  1.0
  F  F8  1  0.604  0.885  0.979  1.0
  F  F9  1  0.168  0.859  0.956  1.0
  F  F10  1  0.391  0.712  0.830  1.0
  F  F11  1  0.619  0.428  0.800  1.0
  F  F12  1  0.889  0.768  0.813  1.0
  F  F13  1  0.119  0.572  0.700  1.0
  F  F14  1  0.389  0.232  0.687  1.0
  F  F15  1  0.891  0.288  0.670  1.0
  F  F16  1  0.668  0.141  0.544  1.0
  F  F17  1  0.104  0.115  0.521  1.0
  F  F18  1  0.896  0.885  0.479  1.0
  F  F19  1  0.332  0.859  0.456  1.0
  F  F20  1  0.109  0.712  0.330  1.0
  F  F21  1  0.611  0.768  0.313  1.0
  F  F22  1  0.881  0.428  0.300  1.0
  F  F23  1  0.111  0.232  0.187  1.0
  F  F24  1  0.381  0.572  0.200  1.0
  F  F25  1  0.609  0.288  0.170  1.0
  F  F26  1  0.832  0.141  0.044  1.0
  F  F27  1  0.396  0.115  0.021  1.0
[/CIF]
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