The structure described by Li2VO3F is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(12), one O(3), one O(5), one O(6), one O(9), and one F(3) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(11), one O(5), one F(2), and one F(3) atom. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(2), one O(5), and one O(6) atom. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(4), one O(9), and one F(3) atom. In the fifth Li site, Li(5) is bonded in a distorted single-bond geometry to one O(12), one O(6), one O(8), and one F(4) atom. In the sixth Li site, Li(6) is bonded in a 2-coordinate geometry to one O(4), one O(6), one O(7), and one F(2) atom. In the seventh Li site, Li(7) is bonded in a 6-coordinate geometry to one O(2), one O(5), one O(7), one O(8), one O(9), and one F(1) atom. In the eighth Li site, Li(8) is bonded to one O(1), one O(10), one O(12), one O(5), one O(7), and one F(2) atom to form distorted LiO5F octahedra that share  an edgeedge with one V(1)O4F2 pentagonal pyramid. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(11), one O(3), one O(9), one F(1), and one F(2) atom to form distorted VO4F2 pentagonal pyramids that share  an edgeedge with one Li(8)O5F octahedra. In the second V site, V(2) is bonded in a distorted single-bond geometry to one O(3), one O(4), one F(1), and one F(4) atom. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(6), one O(7), one F(1), and one F(3) atom. In the fourth V site, V(4) is bonded in a distorted single-bond geometry to one O(1), one O(11), one O(12), and one O(2) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(4), one Li(8), one V(3), and one V(4) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(3), one Li(7), and one V(4) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Li(1), one V(1), and one V(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(4), one Li(6), and one V(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), one Li(7), and one Li(8) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), one Li(5), one Li(6), and one V(3) atom. In the seventh O site, O(7) is bonded to one Li(6), one Li(7), one Li(8), and one V(3) atom to form distorted corner-sharing OLi3V trigonal pyramids. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Li(5) and one Li(7) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(4), one Li(7), and one V(1) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(4), one Li(8), and one V(1) atom. In the eleventh O site, O(11) is bonded to one Li(2), one Li(3), one V(1), one V(3), and one V(4) atom to form distorted corner-sharing OLi2V3 square pyramids. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(5), one Li(8), and one V(4) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a see-saw-like geometry to one Li(7), one V(1), one V(2), and one V(3) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Li(2), one Li(6), one Li(8), and one V(1) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(4), and one V(3) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Li(5) and one V(2) atom. is represented by the CIF card [CIF]
data_Li2VO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.146
_cell_length_b   7.150
_cell_length_c   7.151
_cell_angle_alpha   110.080
_cell_angle_beta   108.319
_cell_angle_gamma   109.334
_symmetry_Int_Tables_number   1
_cell_volume   283.555
_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  0.998  0.990  0.255  1.0
  Li  Li1  1  0.037  0.767  0.483  1.0
  Li  Li2  1  0.761  0.050  0.477  1.0
  Li  Li3  1  0.532  0.023  0.731  1.0
  Li  Li4  1  0.055  0.587  0.710  1.0
  Li  Li5  1  0.245  0.485  0.511  1.0
  Li  Li6  1  0.451  0.717  0.009  1.0
  Li  Li7  1  0.754  0.506  0.991  1.0
  V  V8  1  0.954  0.234  0.019  1.0
  V  V9  1  0.446  0.458  0.274  1.0
  V  V10  1  0.218  0.226  0.755  1.0
  V  V11  1  0.319  0.065  0.971  1.0
  O  O12  1  0.476  0.230  1.000  1.0
  O  O13  1  0.529  0.001  0.237  1.0
  O  O14  1  0.282  0.284  0.246  1.0
  O  O15  1  0.470  0.681  0.541  1.0
  O  O16  1  0.780  0.782  0.219  1.0
  O  O17  1  0.059  0.282  0.474  1.0
  O  O18  1  0.453  0.440  0.781  1.0
  O  O19  1  0.221  0.678  0.785  1.0
  O  O20  1  0.765  0.988  0.009  1.0
  O  O21  1  0.719  0.240  0.764  1.0
  O  O22  1  0.989  0.000  0.770  1.0
  O  O23  1  0.019  0.800  0.984  1.0
  F  F24  1  0.224  0.460  0.010  1.0
  F  F25  1  0.029  0.546  0.216  1.0
  F  F26  1  0.287  0.042  0.468  1.0
  F  F27  1  0.721  0.483  0.525  1.0
[/CIF]
.
The structure described by Li2VO3F is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(12), one O(3), one O(5), one O(6), one O(9), and one F(3) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(11), one O(5), one F(2), and one F(3) atom. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(2), one O(5), and one O(6) atom. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(4), one O(9), and one F(3) atom. In the fifth Li site, Li(5) is bonded in a distorted single-bond geometry to one O(12), one O(6), one O(8), and one F(4) atom. In the sixth Li site, Li(6) is bonded in a 2-coordinate geometry to one O(4), one O(6), one O(7), and one F(2) atom. In the seventh Li site, Li(7) is bonded in a 6-coordinate geometry to one O(2), one O(5), one O(7), one O(8), one O(9), and one F(1) atom. In the eighth Li site, Li(8) is bonded to one O(1), one O(10), one O(12), one O(5), one O(7), and one F(2) atom to form distorted LiO5F octahedra that share  an edgeedge with one V(1)O4F2 pentagonal pyramid. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(11), one O(3), one O(9), one F(1), and one F(2) atom to form distorted VO4F2 pentagonal pyramids that share  an edgeedge with one Li(8)O5F octahedra. In the second V site, V(2) is bonded in a distorted single-bond geometry to one O(3), one O(4), one F(1), and one F(4) atom. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(6), one O(7), one F(1), and one F(3) atom. In the fourth V site, V(4) is bonded in a distorted single-bond geometry to one O(1), one O(11), one O(12), and one O(2) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(4), one Li(8), one V(3), and one V(4) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(3), one Li(7), and one V(4) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Li(1), one V(1), and one V(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(4), one Li(6), and one V(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), one Li(7), and one Li(8) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), one Li(5), one Li(6), and one V(3) atom. In the seventh O site, O(7) is bonded to one Li(6), one Li(7), one Li(8), and one V(3) atom to form distorted corner-sharing OLi3V trigonal pyramids. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Li(5) and one Li(7) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(4), one Li(7), and one V(1) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(4), one Li(8), and one V(1) atom. In the eleventh O site, O(11) is bonded to one Li(2), one Li(3), one V(1), one V(3), and one V(4) atom to form distorted corner-sharing OLi2V3 square pyramids. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(5), one Li(8), and one V(4) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a see-saw-like geometry to one Li(7), one V(1), one V(2), and one V(3) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Li(2), one Li(6), one Li(8), and one V(1) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(4), and one V(3) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Li(5) and one V(2) atom. is represented by the CIF card [CIF]
data_Li2VO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.146
_cell_length_b   7.150
_cell_length_c   7.151
_cell_angle_alpha   110.080
_cell_angle_beta   108.319
_cell_angle_gamma   109.334
_symmetry_Int_Tables_number   1
_cell_volume   283.555
_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  0.998  0.990  0.255  1.0
  Li  Li1  1  0.037  0.767  0.483  1.0
  Li  Li2  1  0.761  0.050  0.477  1.0
  Li  Li3  1  0.532  0.023  0.731  1.0
  Li  Li4  1  0.055  0.587  0.710  1.0
  Li  Li5  1  0.245  0.485  0.511  1.0
  Li  Li6  1  0.451  0.717  0.009  1.0
  Li  Li7  1  0.754  0.506  0.991  1.0
  V  V8  1  0.954  0.234  0.019  1.0
  V  V9  1  0.446  0.458  0.274  1.0
  V  V10  1  0.218  0.226  0.755  1.0
  V  V11  1  0.319  0.065  0.971  1.0
  O  O12  1  0.476  0.230  1.000  1.0
  O  O13  1  0.529  0.001  0.237  1.0
  O  O14  1  0.282  0.284  0.246  1.0
  O  O15  1  0.470  0.681  0.541  1.0
  O  O16  1  0.780  0.782  0.219  1.0
  O  O17  1  0.059  0.282  0.474  1.0
  O  O18  1  0.453  0.440  0.781  1.0
  O  O19  1  0.221  0.678  0.785  1.0
  O  O20  1  0.765  0.988  0.009  1.0
  O  O21  1  0.719  0.240  0.764  1.0
  O  O22  1  0.989  0.000  0.770  1.0
  O  O23  1  0.019  0.800  0.984  1.0
  F  F24  1  0.224  0.460  0.010  1.0
  F  F25  1  0.029  0.546  0.216  1.0
  F  F26  1  0.287  0.042  0.468  1.0
  F  F27  1  0.721  0.483  0.525  1.0
[/CIF]
.