The material described by Li2VF5 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent F(1) and two equivalent F(2) atoms. V(1) is bonded to two equivalent F(2) and four equivalent F(3) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles are 41°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted square co-planar geometry to four equivalent Li(1) atoms. In the second F site, F(2) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one V(1) atom. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2VF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.757
_cell_length_b   6.757
_cell_length_c   5.589
_cell_angle_alpha   88.321
_cell_angle_beta   88.321
_cell_angle_gamma   43.623
_symmetry_Int_Tables_number   1
_cell_volume   175.956
_cell_formula_units_Z   2
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  0.803  0.277  0.981  1.0
  Li  Li1  1  0.723  0.197  0.519  1.0
  Li  Li2  1  0.277  0.803  0.481  1.0
  Li  Li3  1  0.197  0.723  0.019  1.0
  V  V4  1  0.000  0.500  0.500  1.0
  V  V5  1  0.500  0.000  0.000  1.0
  F  F6  1  0.975  0.025  0.250  1.0
  F  F7  1  0.703  0.514  0.554  1.0
  F  F8  1  0.855  0.725  0.812  1.0
  F  F9  1  0.725  0.855  0.312  1.0
  F  F10  1  0.514  0.703  0.054  1.0
  F  F11  1  0.486  0.297  0.946  1.0
  F  F12  1  0.275  0.145  0.688  1.0
  F  F13  1  0.025  0.975  0.750  1.0
  F  F14  1  0.145  0.275  0.188  1.0
  F  F15  1  0.297  0.486  0.446  1.0
[/CIF]
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The material described by Li2VF5 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent F(1) and two equivalent F(2) atoms. V(1) is bonded to two equivalent F(2) and four equivalent F(3) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles are 41°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted square co-planar geometry to four equivalent Li(1) atoms. In the second F site, F(2) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one V(1) atom. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2VF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.757
_cell_length_b   6.757
_cell_length_c   5.589
_cell_angle_alpha   88.321
_cell_angle_beta   88.321
_cell_angle_gamma   43.623
_symmetry_Int_Tables_number   1
_cell_volume   175.956
_cell_formula_units_Z   2
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  0.803  0.277  0.981  1.0
  Li  Li1  1  0.723  0.197  0.519  1.0
  Li  Li2  1  0.277  0.803  0.481  1.0
  Li  Li3  1  0.197  0.723  0.019  1.0
  V  V4  1  0.000  0.500  0.500  1.0
  V  V5  1  0.500  0.000  0.000  1.0
  F  F6  1  0.975  0.025  0.250  1.0
  F  F7  1  0.703  0.514  0.554  1.0
  F  F8  1  0.855  0.725  0.812  1.0
  F  F9  1  0.725  0.855  0.312  1.0
  F  F10  1  0.514  0.703  0.054  1.0
  F  F11  1  0.486  0.297  0.946  1.0
  F  F12  1  0.275  0.145  0.688  1.0
  F  F13  1  0.025  0.975  0.750  1.0
  F  F14  1  0.145  0.275  0.188  1.0
  F  F15  1  0.297  0.486  0.446  1.0
[/CIF]
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