The material described by LiVF5 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a rectangular see-saw-like geometry to one F(2), one F(3), one F(4), and one F(5) atom. V(1) is bonded to one F(1), one F(2), one F(3), one F(5), and two equivalent F(4) atoms to form edge-sharing VF6 octahedra. There are five inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one V(1) atom. In the second F site, F(2) is bonded in an L-shaped geometry to one Li(1) and one V(1) atom. In the third F site, F(3) is bonded in a water-like geometry to one Li(1) and one V(1) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(1) and two equivalent V(1) atoms. In the fifth F site, F(5) is bonded in a bent 120 degrees 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   8.942
_cell_length_b   5.266
_cell_length_c   9.496
_cell_angle_alpha   58.406
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   380.847
_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  0.593  0.170  0.711  1.0
  Li  Li1  1  0.093  0.830  0.789  1.0
  Li  Li2  1  0.907  0.170  0.211  1.0
  Li  Li3  1  0.407  0.830  0.289  1.0
  V  V4  1  0.129  0.492  0.376  1.0
  V  V5  1  0.629  0.508  0.124  1.0
  V  V6  1  0.371  0.492  0.876  1.0
  V  V7  1  0.871  0.508  0.624  1.0
  F  F8  1  0.714  0.812  0.122  1.0
  F  F9  1  0.718  0.453  0.508  1.0
  F  F10  1  0.800  0.160  0.801  1.0
  F  F11  1  0.019  0.233  0.593  1.0
  F  F12  1  0.476  0.525  0.254  1.0
  F  F13  1  0.976  0.475  0.246  1.0
  F  F14  1  0.519  0.767  0.907  1.0
  F  F15  1  0.214  0.188  0.378  1.0
  F  F16  1  0.782  0.453  0.008  1.0
  F  F17  1  0.300  0.840  0.699  1.0
  F  F18  1  0.700  0.160  0.301  1.0
  F  F19  1  0.218  0.547  0.992  1.0
  F  F20  1  0.786  0.812  0.622  1.0
  F  F21  1  0.481  0.233  0.093  1.0
  F  F22  1  0.024  0.525  0.754  1.0
  F  F23  1  0.524  0.475  0.746  1.0
  F  F24  1  0.981  0.767  0.407  1.0
  F  F25  1  0.200  0.840  0.199  1.0
  F  F26  1  0.282  0.547  0.492  1.0
  F  F27  1  0.286  0.188  0.878  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 in a rectangular see-saw-like geometry to one F(2), one F(3), one F(4), and one F(5) atom. V(1) is bonded to one F(1), one F(2), one F(3), one F(5), and two equivalent F(4) atoms to form edge-sharing VF6 octahedra. There are five inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one V(1) atom. In the second F site, F(2) is bonded in an L-shaped geometry to one Li(1) and one V(1) atom. In the third F site, F(3) is bonded in a water-like geometry to one Li(1) and one V(1) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(1) and two equivalent V(1) atoms. In the fifth F site, F(5) is bonded in a bent 120 degrees 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   8.942
_cell_length_b   5.266
_cell_length_c   9.496
_cell_angle_alpha   58.406
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   380.847
_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  0.593  0.170  0.711  1.0
  Li  Li1  1  0.093  0.830  0.789  1.0
  Li  Li2  1  0.907  0.170  0.211  1.0
  Li  Li3  1  0.407  0.830  0.289  1.0
  V  V4  1  0.129  0.492  0.376  1.0
  V  V5  1  0.629  0.508  0.124  1.0
  V  V6  1  0.371  0.492  0.876  1.0
  V  V7  1  0.871  0.508  0.624  1.0
  F  F8  1  0.714  0.812  0.122  1.0
  F  F9  1  0.718  0.453  0.508  1.0
  F  F10  1  0.800  0.160  0.801  1.0
  F  F11  1  0.019  0.233  0.593  1.0
  F  F12  1  0.476  0.525  0.254  1.0
  F  F13  1  0.976  0.475  0.246  1.0
  F  F14  1  0.519  0.767  0.907  1.0
  F  F15  1  0.214  0.188  0.378  1.0
  F  F16  1  0.782  0.453  0.008  1.0
  F  F17  1  0.300  0.840  0.699  1.0
  F  F18  1  0.700  0.160  0.301  1.0
  F  F19  1  0.218  0.547  0.992  1.0
  F  F20  1  0.786  0.812  0.622  1.0
  F  F21  1  0.481  0.233  0.093  1.0
  F  F22  1  0.024  0.525  0.754  1.0
  F  F23  1  0.524  0.475  0.746  1.0
  F  F24  1  0.981  0.767  0.407  1.0
  F  F25  1  0.200  0.840  0.199  1.0
  F  F26  1  0.282  0.547  0.492  1.0
  F  F27  1  0.286  0.188  0.878  1.0
[/CIF]
.