The compound described by LiVOF3 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 5-coordinate geometry to one F(3), 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 32-46°. O(1) is bonded in a 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 trigonal planar geometry to two equivalent Li(1) and one V(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one V(1) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1) and 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   4.950
_cell_length_b   7.399
_cell_length_c   7.681
_cell_angle_alpha   102.782
_cell_angle_beta   89.994
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   274.369
_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  0.753  0.854  0.133  1.0
  Li  Li1  1  0.748  0.354  0.133  1.0
  Li  Li2  1  0.253  0.646  0.867  1.0
  Li  Li3  1  0.247  0.146  0.867  1.0
  V  V4  1  0.236  0.202  0.329  1.0
  V  V5  1  0.736  0.298  0.671  1.0
  V  V6  1  0.264  0.702  0.329  1.0
  V  V7  1  0.764  0.798  0.671  1.0
  O  O8  1  0.534  0.794  0.457  1.0
  O  O9  1  0.966  0.294  0.457  1.0
  O  O10  1  0.034  0.706  0.543  1.0
  O  O11  1  0.466  0.206  0.543  1.0
  F  F12  1  0.428  0.697  0.098  1.0
  F  F13  1  0.072  0.197  0.098  1.0
  F  F14  1  0.928  0.803  0.902  1.0
  F  F15  1  0.572  0.303  0.902  1.0
  F  F16  1  0.950  0.593  0.197  1.0
  F  F17  1  0.550  0.093  0.197  1.0
  F  F18  1  0.450  0.908  0.803  1.0
  F  F19  1  0.050  0.407  0.803  1.0
  F  F20  1  0.094  0.941  0.305  1.0
  F  F21  1  0.406  0.441  0.305  1.0
  F  F22  1  0.594  0.559  0.695  1.0
  F  F23  1  0.906  0.059  0.695  1.0
[/CIF]
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The compound described by LiVOF3 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 5-coordinate geometry to one F(3), 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 32-46°. O(1) is bonded in a 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 trigonal planar geometry to two equivalent Li(1) and one V(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one V(1) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1) and 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   4.950
_cell_length_b   7.399
_cell_length_c   7.681
_cell_angle_alpha   102.782
_cell_angle_beta   89.994
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   274.369
_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  0.753  0.854  0.133  1.0
  Li  Li1  1  0.748  0.354  0.133  1.0
  Li  Li2  1  0.253  0.646  0.867  1.0
  Li  Li3  1  0.247  0.146  0.867  1.0
  V  V4  1  0.236  0.202  0.329  1.0
  V  V5  1  0.736  0.298  0.671  1.0
  V  V6  1  0.264  0.702  0.329  1.0
  V  V7  1  0.764  0.798  0.671  1.0
  O  O8  1  0.534  0.794  0.457  1.0
  O  O9  1  0.966  0.294  0.457  1.0
  O  O10  1  0.034  0.706  0.543  1.0
  O  O11  1  0.466  0.206  0.543  1.0
  F  F12  1  0.428  0.697  0.098  1.0
  F  F13  1  0.072  0.197  0.098  1.0
  F  F14  1  0.928  0.803  0.902  1.0
  F  F15  1  0.572  0.303  0.902  1.0
  F  F16  1  0.950  0.593  0.197  1.0
  F  F17  1  0.550  0.093  0.197  1.0
  F  F18  1  0.450  0.908  0.803  1.0
  F  F19  1  0.050  0.407  0.803  1.0
  F  F20  1  0.094  0.941  0.305  1.0
  F  F21  1  0.406  0.441  0.305  1.0
  F  F22  1  0.594  0.559  0.695  1.0
  F  F23  1  0.906  0.059  0.695  1.0
[/CIF]
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