The compound described by Li3VO3F is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(4), one O(6), and two equivalent F(1) atoms to form LiO4F2 octahedra that share corners with three equivalent Li(7)O4F2 octahedra, corners with three equivalent V(2)O5F octahedra,  an edgeedge with one Li(1)O4F2 octahedra,  an edgeedge with one Li(4)O4F2 octahedra,  an edgeedge with one Li(7)O4F2 octahedra,  an edgeedge with one Li(2)O5F octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one V(2)O5F octahedra, edges with two equivalent Li(3)O4F2 octahedra, edges with two equivalent Li(6)O4F2 octahedra, and edges with two equivalent V(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 7-15°. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(4), two equivalent O(5), and one F(2) atom to form LiO5F octahedra that share corners with three equivalent Li(7)O4F2 octahedra, corners with three equivalent V(2)O5F octahedra,  an edgeedge with one Li(1)O4F2 octahedra,  an edgeedge with one Li(4)O4F2 octahedra,  an edgeedge with one Li(7)O4F2 octahedra,  an edgeedge with one Li(2)O5F octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one V(2)O5F octahedra, edges with two equivalent Li(6)O4F2 octahedra, edges with two equivalent Li(8)O4F2 octahedra, and edges with two equivalent V(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 1-15°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent F(1) atoms to form LiO4F2 octahedra that share corners with two equivalent Li(4)O4F2 octahedra, corners with two equivalent Li(6)O4F2 octahedra, corners with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O4F2 octahedra, edges with two equivalent Li(7)O4F2 octahedra, edges with two equivalent V(1)O5F octahedra, edges with two equivalent V(2)O5F octahedra, and edges with four equivalent Li(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. In the fourth Li site, Li(4) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent F(2) atoms to form LiO4F2 octahedra that share corners with two equivalent Li(3)O4F2 octahedra, corners with two equivalent Li(8)O4F2 octahedra, corners with two equivalent V(1)O5F octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(6)O4F2 octahedra, edges with two equivalent Li(2)O5F octahedra, edges with two equivalent V(1)O5F octahedra, and edges with four equivalent Li(7)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the fifth Li site, Li(5) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(3)O4F2 octahedra, corners with two equivalent Li(8)O4F2 octahedra, corners with two equivalent V(1)O5F octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(6)O4F2 octahedra, edges with two equivalent Li(2)O5F octahedra, edges with two equivalent V(1)O5F octahedra, and edges with four equivalent V(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 6-13°. In the sixth Li site, Li(6) is bonded to one O(1), one O(2), one O(5), one O(6), one F(1), and one F(2) atom to form LiO4F2 octahedra that share  a cornercorner with one Li(3)O4F2 octahedra,  a cornercorner with one Li(8)O4F2 octahedra, corners with four equivalent V(1)O5F octahedra,  an edgeedge with one Li(3)O4F2 octahedra,  an edgeedge with one Li(4)O4F2 octahedra,  an edgeedge with one Li(8)O4F2 octahedra,  an edgeedge with one Li(5)O6 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(7)O4F2 octahedra, edges with two equivalent Li(2)O5F octahedra, and edges with two equivalent V(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the seventh Li site, Li(7) is bonded to one O(5), one O(6), two equivalent O(4), one F(1), and one F(2) atom to form LiO4F2 octahedra that share corners with three equivalent Li(1)O4F2 octahedra, corners with three equivalent Li(2)O5F octahedra,  an edgeedge with one Li(1)O4F2 octahedra,  an edgeedge with one Li(3)O4F2 octahedra,  an edgeedge with one Li(7)O4F2 octahedra,  an edgeedge with one Li(8)O4F2 octahedra,  an edgeedge with one Li(2)O5F octahedra,  an edgeedge with one V(2)O5F octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Li(6)O4F2 octahedra, and edges with two equivalent V(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 1-15°. In the eighth Li site, Li(8) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent F(2) atoms to form LiO4F2 octahedra that share corners with two equivalent Li(4)O4F2 octahedra, corners with two equivalent Li(6)O4F2 octahedra, corners with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O4F2 octahedra, edges with two equivalent Li(7)O4F2 octahedra, edges with two equivalent V(1)O5F octahedra, edges with two equivalent V(2)O5F octahedra, and edges with four equivalent Li(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 1-13°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one F(2) atom to form VO5F octahedra that share  a cornercorner with one Li(4)O4F2 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with four equivalent Li(6)O4F2 octahedra,  an edgeedge with one Li(3)O4F2 octahedra,  an edgeedge with one Li(4)O4F2 octahedra,  an edgeedge with one Li(8)O4F2 octahedra,  an edgeedge with one Li(5)O6 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(7)O4F2 octahedra, edges with two equivalent Li(2)O5F octahedra, and edges with two equivalent V(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(5), two equivalent O(3), and one F(1) atom to form VO5F octahedra that share corners with three equivalent Li(1)O4F2 octahedra, corners with three equivalent Li(2)O5F octahedra,  an edgeedge with one Li(1)O4F2 octahedra,  an edgeedge with one Li(3)O4F2 octahedra,  an edgeedge with one Li(7)O4F2 octahedra,  an edgeedge with one Li(8)O4F2 octahedra,  an edgeedge with one Li(2)O5F octahedra,  an edgeedge with one V(2)O5F octahedra, edges with two equivalent Li(6)O4F2 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent V(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 6-15°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), one Li(5), one Li(6), one V(1), and one V(2) atom to form OLi4V2 octahedra that share  a cornercorner with one O(2)Li4V2 octahedra,  a cornercorner with one O(6)Li5V octahedra, corners with two equivalent O(1)Li4V2 octahedra, corners with two equivalent F(2)Li5V octahedra,  an edgeedge with one O(4)Li5V octahedra,  an edgeedge with one O(5)Li5V octahedra, edges with two equivalent O(2)Li4V2 octahedra, edges with two equivalent O(6)Li5V octahedra, edges with three equivalent O(3)Li3V3 octahedra, and edges with three equivalent F(1)Li5V octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the second O site, O(2) is bonded to one Li(2), one Li(5), one Li(6), one Li(8), one V(1), and one V(2) atom to form OLi4V2 octahedra that share  a cornercorner with one O(1)Li4V2 octahedra,  a cornercorner with one F(2)Li5V octahedra, corners with two equivalent O(2)Li4V2 octahedra, corners with two equivalent O(6)Li5V octahedra,  an edgeedge with one O(4)Li5V octahedra,  an edgeedge with one F(1)Li5V octahedra, edges with two equivalent O(1)Li4V2 octahedra, edges with two equivalent F(2)Li5V octahedra, edges with three equivalent O(3)Li3V3 octahedra, and edges with three equivalent O(5)Li5V octahedra. The corner-sharing octahedral tilt angles range from 0-15°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(5), one V(1), and two equivalent V(2) atoms to form OLi3V3 octahedra that share  a cornercorner with one O(3)Li3V3 octahedra,  a cornercorner with one O(4)Li5V octahedra, corners with two equivalent O(5)Li5V octahedra, corners with two equivalent F(1)Li5V octahedra,  an edgeedge with one O(3)Li3V3 octahedra,  an edgeedge with one O(4)Li5V octahedra,  an edgeedge with one O(5)Li5V octahedra,  an edgeedge with one O(6)Li5V octahedra,  an edgeedge with one F(1)Li5V octahedra,  an edgeedge with one F(2)Li5V octahedra, edges with three equivalent O(1)Li4V2 octahedra, and edges with three equivalent O(2)Li4V2 octahedra. The corner-sharing octahedral tilt angles range from 0-14°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(4), two equivalent Li(7), and one V(1) atom to form OLi5V octahedra that share  a cornercorner with one O(3)Li3V3 octahedra,  a cornercorner with one O(4)Li5V octahedra, corners with two equivalent O(5)Li5V octahedra, corners with two equivalent F(1)Li5V octahedra,  an edgeedge with one O(3)Li3V3 octahedra,  an edgeedge with one O(1)Li4V2 octahedra,  an edgeedge with one O(2)Li4V2 octahedra,  an edgeedge with one O(4)Li5V octahedra,  an edgeedge with one O(5)Li5V octahedra,  an edgeedge with one F(1)Li5V octahedra, edges with three equivalent O(6)Li5V octahedra, and edges with three equivalent F(2)Li5V octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the fifth O site, O(5) is bonded to one Li(6), one Li(7), one Li(8), two equivalent Li(2), and one V(2) atom to form OLi5V octahedra that share  a cornercorner with one O(5)Li5V octahedra,  a cornercorner with one F(1)Li5V octahedra, corners with two equivalent O(3)Li3V3 octahedra, corners with two equivalent O(4)Li5V octahedra,  an edgeedge with one O(3)Li3V3 octahedra,  an edgeedge with one O(1)Li4V2 octahedra,  an edgeedge with one O(4)Li5V octahedra,  an edgeedge with one O(5)Li5V octahedra,  an edgeedge with one O(6)Li5V octahedra,  an edgeedge with one F(1)Li5V octahedra, edges with three equivalent O(2)Li4V2 octahedra, and edges with three equivalent F(2)Li5V octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Li(4), one Li(6), one Li(7), and one V(1) atom to form OLi5V octahedra that share  a cornercorner with one O(1)Li4V2 octahedra,  a cornercorner with one F(2)Li5V octahedra, corners with two equivalent O(2)Li4V2 octahedra, corners with two equivalent O(6)Li5V octahedra,  an edgeedge with one O(3)Li3V3 octahedra,  an edgeedge with one O(5)Li5V octahedra, edges with two equivalent O(1)Li4V2 octahedra, edges with two equivalent F(2)Li5V octahedra, edges with three equivalent O(4)Li5V octahedra, and edges with three equivalent F(1)Li5V octahedra. The corner-sharing octahedral tilt angles range from 0-15°. There are two inequivalent F sites. In the first F site, F(1) is bonded to one Li(3), one Li(6), one Li(7), two equivalent Li(1), and one V(2) atom to form FLi5V octahedra that share  a cornercorner with one O(5)Li5V octahedra,  a cornercorner with one F(1)Li5V octahedra, corners with two equivalent O(3)Li3V3 octahedra, corners with two equivalent O(4)Li5V octahedra,  an edgeedge with one O(3)Li3V3 octahedra,  an edgeedge with one O(2)Li4V2 octahedra,  an edgeedge with one O(4)Li5V octahedra,  an edgeedge with one O(5)Li5V octahedra,  an edgeedge with one F(1)Li5V octahedra,  an edgeedge with one F(2)Li5V octahedra, edges with three equivalent O(1)Li4V2 octahedra, and edges with three equivalent O(6)Li5V octahedra. The corner-sharing octahedral tilt angles range from 0-14°. In the second F site, F(2) is bonded to one Li(2), one Li(4), one Li(6), one Li(7), one Li(8), and one V(1) atom to form FLi5V octahedra that share  a cornercorner with one O(2)Li4V2 octahedra,  a cornercorner with one O(6)Li5V octahedra, corners with two equivalent O(1)Li4V2 octahedra, corners with two equivalent F(2)Li5V octahedra,  an edgeedge with one O(3)Li3V3 octahedra,  an edgeedge with one F(1)Li5V octahedra, edges with two equivalent O(2)Li4V2 octahedra, edges with two equivalent O(6)Li5V octahedra, edges with three equivalent O(4)Li5V octahedra, and edges with three equivalent O(5)Li5V octahedra. The corner-sharing octahedral tilt angles range from 0-9°. is represented by the CIF file [CIF]
data_Li3VO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.162
_cell_length_b   7.773
_cell_length_c   7.788
_cell_angle_alpha   97.882
_cell_angle_beta   102.905
_cell_angle_gamma   103.105
_symmetry_Int_Tables_number   1
_cell_volume   290.814
_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  0.503  0.370  0.133  1.0
  Li  Li1  1  0.535  0.126  0.384  1.0
  Li  Li2  1  0.000  0.500  0.000  1.0
  Li  Li3  1  0.500  0.500  0.500  1.0
  Li  Li4  1  0.500  0.000  0.000  1.0
  Li  Li5  1  0.485  0.735  0.248  1.0
  Li  Li6  1  0.515  0.265  0.752  1.0
  Li  Li7  1  0.010  0.616  0.384  1.0
  Li  Li8  1  0.990  0.384  0.616  1.0
  Li  Li9  1  0.465  0.874  0.616  1.0
  Li  Li10  1  0.497  0.630  0.867  1.0
  Li  Li11  1  0.000  0.000  0.500  1.0
  V  V12  1  0.988  0.270  0.241  1.0
  V  V13  1  0.027  0.888  0.145  1.0
  V  V14  1  0.973  0.112  0.855  1.0
  V  V15  1  0.012  0.730  0.759  1.0
  O  O16  1  0.771  0.248  0.001  1.0
  O  O17  1  0.795  0.015  0.248  1.0
  O  O18  1  0.218  0.120  0.110  1.0
  O  O19  1  0.763  0.361  0.363  1.0
  O  O20  1  0.761  0.126  0.648  1.0
  O  O21  1  0.240  0.477  0.249  1.0
  O  O22  1  0.760  0.523  0.751  1.0
  O  O23  1  0.239  0.874  0.352  1.0
  O  O24  1  0.237  0.639  0.637  1.0
  O  O25  1  0.782  0.880  0.890  1.0
  O  O26  1  0.205  0.985  0.752  1.0
  O  O27  1  0.229  0.752  0.999  1.0
  F  F28  1  0.749  0.639  0.126  1.0
  F  F29  1  0.255  0.254  0.502  1.0
  F  F30  1  0.745  0.746  0.498  1.0
  F  F31  1  0.251  0.361  0.874  1.0
[/CIF]
.
The compound described by Li3VO3F is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(4), one O(6), and two equivalent F(1) atoms to form LiO4F2 octahedra that share corners with three equivalent Li(7)O4F2 octahedra, corners with three equivalent V(2)O5F octahedra,  an edgeedge with one Li(1)O4F2 octahedra,  an edgeedge with one Li(4)O4F2 octahedra,  an edgeedge with one Li(7)O4F2 octahedra,  an edgeedge with one Li(2)O5F octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one V(2)O5F octahedra, edges with two equivalent Li(3)O4F2 octahedra, edges with two equivalent Li(6)O4F2 octahedra, and edges with two equivalent V(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 7-15°. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(4), two equivalent O(5), and one F(2) atom to form LiO5F octahedra that share corners with three equivalent Li(7)O4F2 octahedra, corners with three equivalent V(2)O5F octahedra,  an edgeedge with one Li(1)O4F2 octahedra,  an edgeedge with one Li(4)O4F2 octahedra,  an edgeedge with one Li(7)O4F2 octahedra,  an edgeedge with one Li(2)O5F octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one V(2)O5F octahedra, edges with two equivalent Li(6)O4F2 octahedra, edges with two equivalent Li(8)O4F2 octahedra, and edges with two equivalent V(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 1-15°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent F(1) atoms to form LiO4F2 octahedra that share corners with two equivalent Li(4)O4F2 octahedra, corners with two equivalent Li(6)O4F2 octahedra, corners with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O4F2 octahedra, edges with two equivalent Li(7)O4F2 octahedra, edges with two equivalent V(1)O5F octahedra, edges with two equivalent V(2)O5F octahedra, and edges with four equivalent Li(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. In the fourth Li site, Li(4) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent F(2) atoms to form LiO4F2 octahedra that share corners with two equivalent Li(3)O4F2 octahedra, corners with two equivalent Li(8)O4F2 octahedra, corners with two equivalent V(1)O5F octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(6)O4F2 octahedra, edges with two equivalent Li(2)O5F octahedra, edges with two equivalent V(1)O5F octahedra, and edges with four equivalent Li(7)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the fifth Li site, Li(5) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(3)O4F2 octahedra, corners with two equivalent Li(8)O4F2 octahedra, corners with two equivalent V(1)O5F octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(6)O4F2 octahedra, edges with two equivalent Li(2)O5F octahedra, edges with two equivalent V(1)O5F octahedra, and edges with four equivalent V(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 6-13°. In the sixth Li site, Li(6) is bonded to one O(1), one O(2), one O(5), one O(6), one F(1), and one F(2) atom to form LiO4F2 octahedra that share  a cornercorner with one Li(3)O4F2 octahedra,  a cornercorner with one Li(8)O4F2 octahedra, corners with four equivalent V(1)O5F octahedra,  an edgeedge with one Li(3)O4F2 octahedra,  an edgeedge with one Li(4)O4F2 octahedra,  an edgeedge with one Li(8)O4F2 octahedra,  an edgeedge with one Li(5)O6 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(7)O4F2 octahedra, edges with two equivalent Li(2)O5F octahedra, and edges with two equivalent V(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the seventh Li site, Li(7) is bonded to one O(5), one O(6), two equivalent O(4), one F(1), and one F(2) atom to form LiO4F2 octahedra that share corners with three equivalent Li(1)O4F2 octahedra, corners with three equivalent Li(2)O5F octahedra,  an edgeedge with one Li(1)O4F2 octahedra,  an edgeedge with one Li(3)O4F2 octahedra,  an edgeedge with one Li(7)O4F2 octahedra,  an edgeedge with one Li(8)O4F2 octahedra,  an edgeedge with one Li(2)O5F octahedra,  an edgeedge with one V(2)O5F octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Li(6)O4F2 octahedra, and edges with two equivalent V(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 1-15°. In the eighth Li site, Li(8) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent F(2) atoms to form LiO4F2 octahedra that share corners with two equivalent Li(4)O4F2 octahedra, corners with two equivalent Li(6)O4F2 octahedra, corners with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O4F2 octahedra, edges with two equivalent Li(7)O4F2 octahedra, edges with two equivalent V(1)O5F octahedra, edges with two equivalent V(2)O5F octahedra, and edges with four equivalent Li(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 1-13°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one F(2) atom to form VO5F octahedra that share  a cornercorner with one Li(4)O4F2 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with four equivalent Li(6)O4F2 octahedra,  an edgeedge with one Li(3)O4F2 octahedra,  an edgeedge with one Li(4)O4F2 octahedra,  an edgeedge with one Li(8)O4F2 octahedra,  an edgeedge with one Li(5)O6 octahedra, edges with two equivalent Li(1)O4F2 octahedra, edges with two equivalent Li(7)O4F2 octahedra, edges with two equivalent Li(2)O5F octahedra, and edges with two equivalent V(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(5), two equivalent O(3), and one F(1) atom to form VO5F octahedra that share corners with three equivalent Li(1)O4F2 octahedra, corners with three equivalent Li(2)O5F octahedra,  an edgeedge with one Li(1)O4F2 octahedra,  an edgeedge with one Li(3)O4F2 octahedra,  an edgeedge with one Li(7)O4F2 octahedra,  an edgeedge with one Li(8)O4F2 octahedra,  an edgeedge with one Li(2)O5F octahedra,  an edgeedge with one V(2)O5F octahedra, edges with two equivalent Li(6)O4F2 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent V(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 6-15°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), one Li(5), one Li(6), one V(1), and one V(2) atom to form OLi4V2 octahedra that share  a cornercorner with one O(2)Li4V2 octahedra,  a cornercorner with one O(6)Li5V octahedra, corners with two equivalent O(1)Li4V2 octahedra, corners with two equivalent F(2)Li5V octahedra,  an edgeedge with one O(4)Li5V octahedra,  an edgeedge with one O(5)Li5V octahedra, edges with two equivalent O(2)Li4V2 octahedra, edges with two equivalent O(6)Li5V octahedra, edges with three equivalent O(3)Li3V3 octahedra, and edges with three equivalent F(1)Li5V octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the second O site, O(2) is bonded to one Li(2), one Li(5), one Li(6), one Li(8), one V(1), and one V(2) atom to form OLi4V2 octahedra that share  a cornercorner with one O(1)Li4V2 octahedra,  a cornercorner with one F(2)Li5V octahedra, corners with two equivalent O(2)Li4V2 octahedra, corners with two equivalent O(6)Li5V octahedra,  an edgeedge with one O(4)Li5V octahedra,  an edgeedge with one F(1)Li5V octahedra, edges with two equivalent O(1)Li4V2 octahedra, edges with two equivalent F(2)Li5V octahedra, edges with three equivalent O(3)Li3V3 octahedra, and edges with three equivalent O(5)Li5V octahedra. The corner-sharing octahedral tilt angles range from 0-15°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(5), one V(1), and two equivalent V(2) atoms to form OLi3V3 octahedra that share  a cornercorner with one O(3)Li3V3 octahedra,  a cornercorner with one O(4)Li5V octahedra, corners with two equivalent O(5)Li5V octahedra, corners with two equivalent F(1)Li5V octahedra,  an edgeedge with one O(3)Li3V3 octahedra,  an edgeedge with one O(4)Li5V octahedra,  an edgeedge with one O(5)Li5V octahedra,  an edgeedge with one O(6)Li5V octahedra,  an edgeedge with one F(1)Li5V octahedra,  an edgeedge with one F(2)Li5V octahedra, edges with three equivalent O(1)Li4V2 octahedra, and edges with three equivalent O(2)Li4V2 octahedra. The corner-sharing octahedral tilt angles range from 0-14°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(4), two equivalent Li(7), and one V(1) atom to form OLi5V octahedra that share  a cornercorner with one O(3)Li3V3 octahedra,  a cornercorner with one O(4)Li5V octahedra, corners with two equivalent O(5)Li5V octahedra, corners with two equivalent F(1)Li5V octahedra,  an edgeedge with one O(3)Li3V3 octahedra,  an edgeedge with one O(1)Li4V2 octahedra,  an edgeedge with one O(2)Li4V2 octahedra,  an edgeedge with one O(4)Li5V octahedra,  an edgeedge with one O(5)Li5V octahedra,  an edgeedge with one F(1)Li5V octahedra, edges with three equivalent O(6)Li5V octahedra, and edges with three equivalent F(2)Li5V octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the fifth O site, O(5) is bonded to one Li(6), one Li(7), one Li(8), two equivalent Li(2), and one V(2) atom to form OLi5V octahedra that share  a cornercorner with one O(5)Li5V octahedra,  a cornercorner with one F(1)Li5V octahedra, corners with two equivalent O(3)Li3V3 octahedra, corners with two equivalent O(4)Li5V octahedra,  an edgeedge with one O(3)Li3V3 octahedra,  an edgeedge with one O(1)Li4V2 octahedra,  an edgeedge with one O(4)Li5V octahedra,  an edgeedge with one O(5)Li5V octahedra,  an edgeedge with one O(6)Li5V octahedra,  an edgeedge with one F(1)Li5V octahedra, edges with three equivalent O(2)Li4V2 octahedra, and edges with three equivalent F(2)Li5V octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Li(4), one Li(6), one Li(7), and one V(1) atom to form OLi5V octahedra that share  a cornercorner with one O(1)Li4V2 octahedra,  a cornercorner with one F(2)Li5V octahedra, corners with two equivalent O(2)Li4V2 octahedra, corners with two equivalent O(6)Li5V octahedra,  an edgeedge with one O(3)Li3V3 octahedra,  an edgeedge with one O(5)Li5V octahedra, edges with two equivalent O(1)Li4V2 octahedra, edges with two equivalent F(2)Li5V octahedra, edges with three equivalent O(4)Li5V octahedra, and edges with three equivalent F(1)Li5V octahedra. The corner-sharing octahedral tilt angles range from 0-15°. There are two inequivalent F sites. In the first F site, F(1) is bonded to one Li(3), one Li(6), one Li(7), two equivalent Li(1), and one V(2) atom to form FLi5V octahedra that share  a cornercorner with one O(5)Li5V octahedra,  a cornercorner with one F(1)Li5V octahedra, corners with two equivalent O(3)Li3V3 octahedra, corners with two equivalent O(4)Li5V octahedra,  an edgeedge with one O(3)Li3V3 octahedra,  an edgeedge with one O(2)Li4V2 octahedra,  an edgeedge with one O(4)Li5V octahedra,  an edgeedge with one O(5)Li5V octahedra,  an edgeedge with one F(1)Li5V octahedra,  an edgeedge with one F(2)Li5V octahedra, edges with three equivalent O(1)Li4V2 octahedra, and edges with three equivalent O(6)Li5V octahedra. The corner-sharing octahedral tilt angles range from 0-14°. In the second F site, F(2) is bonded to one Li(2), one Li(4), one Li(6), one Li(7), one Li(8), and one V(1) atom to form FLi5V octahedra that share  a cornercorner with one O(2)Li4V2 octahedra,  a cornercorner with one O(6)Li5V octahedra, corners with two equivalent O(1)Li4V2 octahedra, corners with two equivalent F(2)Li5V octahedra,  an edgeedge with one O(3)Li3V3 octahedra,  an edgeedge with one F(1)Li5V octahedra, edges with two equivalent O(2)Li4V2 octahedra, edges with two equivalent O(6)Li5V octahedra, edges with three equivalent O(4)Li5V octahedra, and edges with three equivalent O(5)Li5V octahedra. The corner-sharing octahedral tilt angles range from 0-9°. is represented by the CIF file [CIF]
data_Li3VO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.162
_cell_length_b   7.773
_cell_length_c   7.788
_cell_angle_alpha   97.882
_cell_angle_beta   102.905
_cell_angle_gamma   103.105
_symmetry_Int_Tables_number   1
_cell_volume   290.814
_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  0.503  0.370  0.133  1.0
  Li  Li1  1  0.535  0.126  0.384  1.0
  Li  Li2  1  0.000  0.500  0.000  1.0
  Li  Li3  1  0.500  0.500  0.500  1.0
  Li  Li4  1  0.500  0.000  0.000  1.0
  Li  Li5  1  0.485  0.735  0.248  1.0
  Li  Li6  1  0.515  0.265  0.752  1.0
  Li  Li7  1  0.010  0.616  0.384  1.0
  Li  Li8  1  0.990  0.384  0.616  1.0
  Li  Li9  1  0.465  0.874  0.616  1.0
  Li  Li10  1  0.497  0.630  0.867  1.0
  Li  Li11  1  0.000  0.000  0.500  1.0
  V  V12  1  0.988  0.270  0.241  1.0
  V  V13  1  0.027  0.888  0.145  1.0
  V  V14  1  0.973  0.112  0.855  1.0
  V  V15  1  0.012  0.730  0.759  1.0
  O  O16  1  0.771  0.248  0.001  1.0
  O  O17  1  0.795  0.015  0.248  1.0
  O  O18  1  0.218  0.120  0.110  1.0
  O  O19  1  0.763  0.361  0.363  1.0
  O  O20  1  0.761  0.126  0.648  1.0
  O  O21  1  0.240  0.477  0.249  1.0
  O  O22  1  0.760  0.523  0.751  1.0
  O  O23  1  0.239  0.874  0.352  1.0
  O  O24  1  0.237  0.639  0.637  1.0
  O  O25  1  0.782  0.880  0.890  1.0
  O  O26  1  0.205  0.985  0.752  1.0
  O  O27  1  0.229  0.752  0.999  1.0
  F  F28  1  0.749  0.639  0.126  1.0
  F  F29  1  0.255  0.254  0.502  1.0
  F  F30  1  0.745  0.746  0.498  1.0
  F  F31  1  0.251  0.361  0.874  1.0
[/CIF]
.