The structure described by LiVF5 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one F(1), one F(3), two equivalent F(2), and two equivalent F(4) atoms to form distorted LiF6 trigonal bipyramids that share corners with five equivalent V(1)F6 octahedra, corners with two equivalent Li(1)F6 trigonal bipyramids, and  an edgeedge with one V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 5-55°. 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 five equivalent Li(1)F6 trigonal bipyramids, and  an edgeedge with one Li(1)F6 trigonal bipyramid. The corner-sharing octahedral tilt angles are 42°. There are four 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 trigonal planar geometry to 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(1) and two equivalent V(1) atoms. In the fourth F site, F(4) is bonded in a linear 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   5.913
_cell_length_b   7.476
_cell_length_c   7.420
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   328.024
_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  0.775  0.250  0.643  1.0
  Li  Li1  1  0.725  0.750  0.143  1.0
  Li  Li2  1  0.275  0.250  0.857  1.0
  Li  Li3  1  0.225  0.750  0.357  1.0
  V  V4  1  0.768  0.750  0.598  1.0
  V  V5  1  0.732  0.250  0.098  1.0
  V  V6  1  0.268  0.750  0.902  1.0
  V  V7  1  0.232  0.250  0.402  1.0
  F  F8  1  0.006  0.250  0.990  1.0
  F  F9  1  0.895  0.750  0.370  1.0
  F  F10  1  0.905  0.250  0.325  1.0
  F  F11  1  0.787  0.985  0.628  1.0
  F  F12  1  0.787  0.515  0.628  1.0
  F  F13  1  0.713  0.015  0.128  1.0
  F  F14  1  0.713  0.485  0.128  1.0
  F  F15  1  0.595  0.750  0.825  1.0
  F  F16  1  0.605  0.250  0.870  1.0
  F  F17  1  0.494  0.750  0.490  1.0
  F  F18  1  0.506  0.250  0.510  1.0
  F  F19  1  0.395  0.750  0.130  1.0
  F  F20  1  0.405  0.250  0.175  1.0
  F  F21  1  0.287  0.515  0.872  1.0
  F  F22  1  0.287  0.985  0.872  1.0
  F  F23  1  0.213  0.015  0.372  1.0
  F  F24  1  0.213  0.485  0.372  1.0
  F  F25  1  0.095  0.750  0.675  1.0
  F  F26  1  0.105  0.250  0.630  1.0
  F  F27  1  0.994  0.750  0.010  1.0
[/CIF]
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The structure described by LiVF5 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one F(1), one F(3), two equivalent F(2), and two equivalent F(4) atoms to form distorted LiF6 trigonal bipyramids that share corners with five equivalent V(1)F6 octahedra, corners with two equivalent Li(1)F6 trigonal bipyramids, and  an edgeedge with one V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 5-55°. 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 five equivalent Li(1)F6 trigonal bipyramids, and  an edgeedge with one Li(1)F6 trigonal bipyramid. The corner-sharing octahedral tilt angles are 42°. There are four 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 trigonal planar geometry to 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(1) and two equivalent V(1) atoms. In the fourth F site, F(4) is bonded in a linear 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   5.913
_cell_length_b   7.476
_cell_length_c   7.420
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   328.024
_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  0.775  0.250  0.643  1.0
  Li  Li1  1  0.725  0.750  0.143  1.0
  Li  Li2  1  0.275  0.250  0.857  1.0
  Li  Li3  1  0.225  0.750  0.357  1.0
  V  V4  1  0.768  0.750  0.598  1.0
  V  V5  1  0.732  0.250  0.098  1.0
  V  V6  1  0.268  0.750  0.902  1.0
  V  V7  1  0.232  0.250  0.402  1.0
  F  F8  1  0.006  0.250  0.990  1.0
  F  F9  1  0.895  0.750  0.370  1.0
  F  F10  1  0.905  0.250  0.325  1.0
  F  F11  1  0.787  0.985  0.628  1.0
  F  F12  1  0.787  0.515  0.628  1.0
  F  F13  1  0.713  0.015  0.128  1.0
  F  F14  1  0.713  0.485  0.128  1.0
  F  F15  1  0.595  0.750  0.825  1.0
  F  F16  1  0.605  0.250  0.870  1.0
  F  F17  1  0.494  0.750  0.490  1.0
  F  F18  1  0.506  0.250  0.510  1.0
  F  F19  1  0.395  0.750  0.130  1.0
  F  F20  1  0.405  0.250  0.175  1.0
  F  F21  1  0.287  0.515  0.872  1.0
  F  F22  1  0.287  0.985  0.872  1.0
  F  F23  1  0.213  0.015  0.372  1.0
  F  F24  1  0.213  0.485  0.372  1.0
  F  F25  1  0.095  0.750  0.675  1.0
  F  F26  1  0.105  0.250  0.630  1.0
  F  F27  1  0.994  0.750  0.010  1.0
[/CIF]
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