The structure described by LiVOF3 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent F(1) and two equivalent F(2) atoms. V(1) is bonded to two equivalent O(1), one F(1), one F(2), and two equivalent F(3) atoms to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 41-44°. O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent V(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent 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 2-coordinate geometry to two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVOF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.835
_cell_length_b   7.336
_cell_length_c   5.152
_cell_angle_alpha   90.012
_cell_angle_beta   90.012
_cell_angle_gamma   74.275
_symmetry_Int_Tables_number   1
_cell_volume   285.028
_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  0.138  0.013  0.200  1.0
  Li  Li1  1  0.138  0.513  0.300  1.0
  Li  Li2  1  0.862  0.487  0.700  1.0
  Li  Li3  1  0.862  0.987  0.800  1.0
  V  V4  1  0.348  0.765  0.719  1.0
  V  V5  1  0.348  0.265  0.781  1.0
  V  V6  1  0.652  0.735  0.219  1.0
  V  V7  1  0.652  0.235  0.281  1.0
  O  O8  1  0.457  0.816  0.050  1.0
  O  O9  1  0.457  0.316  0.450  1.0
  O  O10  1  0.543  0.684  0.550  1.0
  O  O11  1  0.543  0.184  0.950  1.0
  F  F12  1  0.121  0.884  0.875  1.0
  F  F13  1  0.121  0.384  0.625  1.0
  F  F14  1  0.200  0.748  0.419  1.0
  F  F15  1  0.200  0.248  0.081  1.0
  F  F16  1  0.323  0.533  0.890  1.0
  F  F17  1  0.323  0.032  0.610  1.0
  F  F18  1  0.677  0.968  0.390  1.0
  F  F19  1  0.677  0.467  0.110  1.0
  F  F20  1  0.800  0.752  0.919  1.0
  F  F21  1  0.800  0.252  0.581  1.0
  F  F22  1  0.879  0.616  0.375  1.0
  F  F23  1  0.879  0.116  0.125  1.0
[/CIF]
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The structure described by LiVOF3 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent F(1) and two equivalent F(2) atoms. V(1) is bonded to two equivalent O(1), one F(1), one F(2), and two equivalent F(3) atoms to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 41-44°. O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent V(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent 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 2-coordinate geometry to two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVOF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.835
_cell_length_b   7.336
_cell_length_c   5.152
_cell_angle_alpha   90.012
_cell_angle_beta   90.012
_cell_angle_gamma   74.275
_symmetry_Int_Tables_number   1
_cell_volume   285.028
_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  0.138  0.013  0.200  1.0
  Li  Li1  1  0.138  0.513  0.300  1.0
  Li  Li2  1  0.862  0.487  0.700  1.0
  Li  Li3  1  0.862  0.987  0.800  1.0
  V  V4  1  0.348  0.765  0.719  1.0
  V  V5  1  0.348  0.265  0.781  1.0
  V  V6  1  0.652  0.735  0.219  1.0
  V  V7  1  0.652  0.235  0.281  1.0
  O  O8  1  0.457  0.816  0.050  1.0
  O  O9  1  0.457  0.316  0.450  1.0
  O  O10  1  0.543  0.684  0.550  1.0
  O  O11  1  0.543  0.184  0.950  1.0
  F  F12  1  0.121  0.884  0.875  1.0
  F  F13  1  0.121  0.384  0.625  1.0
  F  F14  1  0.200  0.748  0.419  1.0
  F  F15  1  0.200  0.248  0.081  1.0
  F  F16  1  0.323  0.533  0.890  1.0
  F  F17  1  0.323  0.032  0.610  1.0
  F  F18  1  0.677  0.968  0.390  1.0
  F  F19  1  0.677  0.467  0.110  1.0
  F  F20  1  0.800  0.752  0.919  1.0
  F  F21  1  0.800  0.252  0.581  1.0
  F  F22  1  0.879  0.616  0.375  1.0
  F  F23  1  0.879  0.116  0.125  1.0
[/CIF]
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