The crystal structure described by LiVF5 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one F(3), two equivalent F(1), and two equivalent F(2) atoms to form LiF5 square pyramids that share corners with five equivalent V(1)F5 trigonal bipyramids. V(1) is bonded to one F(3), two equivalent F(1), and two equivalent F(2) atoms to form distorted VF5 trigonal bipyramids that share corners with five equivalent Li(1)F5 square pyramids. There are three 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 bent 150 degrees geometry to one Li(1) and one V(1) atom. is represented by the CIF card [CIF]
data_LiVF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.316
_cell_length_b   8.297
_cell_length_c   9.318
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   410.993
_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  0.750  0.692  0.018  1.0
  Li  Li1  1  0.250  0.192  0.482  1.0
  Li  Li2  1  0.750  0.808  0.518  1.0
  Li  Li3  1  0.250  0.308  0.982  1.0
  V  V4  1  0.750  0.088  0.215  1.0
  V  V5  1  0.250  0.588  0.285  1.0
  V  V6  1  0.750  0.412  0.715  1.0
  V  V7  1  0.250  0.912  0.785  1.0
  F  F8  1  0.988  0.195  0.108  1.0
  F  F9  1  0.512  0.195  0.108  1.0
  F  F10  1  0.018  0.589  0.137  1.0
  F  F11  1  0.482  0.589  0.137  1.0
  F  F12  1  0.750  0.888  0.152  1.0
  F  F13  1  0.250  0.388  0.348  1.0
  F  F14  1  0.518  0.089  0.363  1.0
  F  F15  1  0.982  0.089  0.363  1.0
  F  F16  1  0.012  0.695  0.392  1.0
  F  F17  1  0.488  0.695  0.392  1.0
  F  F18  1  0.512  0.305  0.608  1.0
  F  F19  1  0.988  0.305  0.608  1.0
  F  F20  1  0.018  0.911  0.637  1.0
  F  F21  1  0.482  0.911  0.637  1.0
  F  F22  1  0.750  0.612  0.652  1.0
  F  F23  1  0.250  0.112  0.848  1.0
  F  F24  1  0.518  0.411  0.863  1.0
  F  F25  1  0.982  0.411  0.863  1.0
  F  F26  1  0.012  0.805  0.892  1.0
  F  F27  1  0.488  0.805  0.892  1.0
[/CIF]
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The crystal structure described by LiVF5 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one F(3), two equivalent F(1), and two equivalent F(2) atoms to form LiF5 square pyramids that share corners with five equivalent V(1)F5 trigonal bipyramids. V(1) is bonded to one F(3), two equivalent F(1), and two equivalent F(2) atoms to form distorted VF5 trigonal bipyramids that share corners with five equivalent Li(1)F5 square pyramids. There are three 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 bent 150 degrees geometry to one Li(1) and one V(1) atom. is represented by the CIF card [CIF]
data_LiVF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.316
_cell_length_b   8.297
_cell_length_c   9.318
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   410.993
_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  0.750  0.692  0.018  1.0
  Li  Li1  1  0.250  0.192  0.482  1.0
  Li  Li2  1  0.750  0.808  0.518  1.0
  Li  Li3  1  0.250  0.308  0.982  1.0
  V  V4  1  0.750  0.088  0.215  1.0
  V  V5  1  0.250  0.588  0.285  1.0
  V  V6  1  0.750  0.412  0.715  1.0
  V  V7  1  0.250  0.912  0.785  1.0
  F  F8  1  0.988  0.195  0.108  1.0
  F  F9  1  0.512  0.195  0.108  1.0
  F  F10  1  0.018  0.589  0.137  1.0
  F  F11  1  0.482  0.589  0.137  1.0
  F  F12  1  0.750  0.888  0.152  1.0
  F  F13  1  0.250  0.388  0.348  1.0
  F  F14  1  0.518  0.089  0.363  1.0
  F  F15  1  0.982  0.089  0.363  1.0
  F  F16  1  0.012  0.695  0.392  1.0
  F  F17  1  0.488  0.695  0.392  1.0
  F  F18  1  0.512  0.305  0.608  1.0
  F  F19  1  0.988  0.305  0.608  1.0
  F  F20  1  0.018  0.911  0.637  1.0
  F  F21  1  0.482  0.911  0.637  1.0
  F  F22  1  0.750  0.612  0.652  1.0
  F  F23  1  0.250  0.112  0.848  1.0
  F  F24  1  0.518  0.411  0.863  1.0
  F  F25  1  0.982  0.411  0.863  1.0
  F  F26  1  0.012  0.805  0.892  1.0
  F  F27  1  0.488  0.805  0.892  1.0
[/CIF]
.