The compound described by LiVOF3 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one F(1), one F(5), and one F(6) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one F(2), one F(5), and one F(6) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one F(3), one F(4), one F(5), and one F(6) atom to form edge-sharing VO2F4 octahedra. In the second V site, V(2) is bonded to one O(1), one O(2), one F(1), one F(2), one F(3), and one F(4) atom to form edge-sharing VO2F4 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one V(1), and one V(2) atom to form distorted corner-sharing OLi2V2 trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), one Li(2), one V(1), and one V(2) atom to form distorted corner-sharing OLi2V2 trigonal pyramids. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one V(2) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Li(2) and one V(2) atom. In the third F site, F(3) is bonded in an L-shaped geometry to one V(1) and one V(2) atom. In the fourth F site, F(4) is bonded in a water-like geometry to one V(1) and one V(2) atom. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one V(1) atom. In the sixth F site, F(6) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(2), and one V(1) atom. is represented by the CIF card [CIF]
data_LiVOF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.119
_cell_length_b   5.713
_cell_length_c   5.855
_cell_angle_alpha   118.863
_cell_angle_beta   90.959
_cell_angle_gamma   95.636
_symmetry_Int_Tables_number   1
_cell_volume   148.818
_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
  F  F0  1  0.874  0.775  0.032  1.0
  F  F1  1  0.632  0.233  0.261  1.0
  F  F2  1  0.599  0.211  0.712  1.0
  F  F3  1  0.907  0.776  0.496  1.0
  F  F4  1  0.175  0.262  0.987  1.0
  F  F5  1  0.322  0.743  0.720  1.0
  Li  Li6  1  0.173  0.594  0.936  1.0
  Li  Li7  1  0.327  0.417  0.344  1.0
  O  O8  1  0.089  0.198  0.512  1.0
  O  O9  1  0.420  0.793  0.305  1.0
  V  V10  1  0.249  0.017  0.633  1.0
  V  V11  1  0.733  0.980  0.348  1.0
[/CIF]
.
The compound described by LiVOF3 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one F(1), one F(5), and one F(6) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one F(2), one F(5), and one F(6) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one F(3), one F(4), one F(5), and one F(6) atom to form edge-sharing VO2F4 octahedra. In the second V site, V(2) is bonded to one O(1), one O(2), one F(1), one F(2), one F(3), and one F(4) atom to form edge-sharing VO2F4 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one V(1), and one V(2) atom to form distorted corner-sharing OLi2V2 trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), one Li(2), one V(1), and one V(2) atom to form distorted corner-sharing OLi2V2 trigonal pyramids. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one V(2) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Li(2) and one V(2) atom. In the third F site, F(3) is bonded in an L-shaped geometry to one V(1) and one V(2) atom. In the fourth F site, F(4) is bonded in a water-like geometry to one V(1) and one V(2) atom. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one V(1) atom. In the sixth F site, F(6) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(2), and one V(1) atom. is represented by the CIF card [CIF]
data_LiVOF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.119
_cell_length_b   5.713
_cell_length_c   5.855
_cell_angle_alpha   118.863
_cell_angle_beta   90.959
_cell_angle_gamma   95.636
_symmetry_Int_Tables_number   1
_cell_volume   148.818
_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
  F  F0  1  0.874  0.775  0.032  1.0
  F  F1  1  0.632  0.233  0.261  1.0
  F  F2  1  0.599  0.211  0.712  1.0
  F  F3  1  0.907  0.776  0.496  1.0
  F  F4  1  0.175  0.262  0.987  1.0
  F  F5  1  0.322  0.743  0.720  1.0
  Li  Li6  1  0.173  0.594  0.936  1.0
  Li  Li7  1  0.327  0.417  0.344  1.0
  O  O8  1  0.089  0.198  0.512  1.0
  O  O9  1  0.420  0.793  0.305  1.0
  V  V10  1  0.249  0.017  0.633  1.0
  V  V11  1  0.733  0.980  0.348  1.0
[/CIF]
.