The crystal structure described by Li2VO2F is Caswellsilverite-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 two equivalent O(7), two equivalent O(8), one F(1), and one F(3) atom. In the second Li site, Li(2) is bonded to one O(3), two equivalent O(5), one F(4), and two equivalent F(2) atoms to form LiO3F3 octahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Li(5)O3F3 octahedra, corners with two equivalent V(1)O5F octahedra,  an edgeedge with one Li(5)O3F3 octahedra,  an edgeedge with one V(1)O5F octahedra, edges with two equivalent Li(2)O3F3 octahedra, edges with two equivalent Li(3)O3F3 octahedra, edges with two equivalent Li(6)O3F3 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the third Li site, Li(3) is bonded to one O(1), two equivalent O(4), one F(2), and two equivalent F(4) atoms to form LiO3F3 octahedra that share  a cornercorner with one Li(6)O3F3 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O5F octahedra,  an edgeedge with one V(1)O5F octahedra, edges with two equivalent Li(2)O3F3 octahedra, edges with two equivalent Li(3)O3F3 octahedra, edges with two equivalent Li(5)O3F3 octahedra, and edges with two equivalent V(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. In the fourth Li site, Li(4) is bonded to one O(2), one O(8), two equivalent O(6), and two equivalent F(3) atoms to form distorted LiO4F2 octahedra that share  a cornercorner with one V(1)O5F octahedra, corners with two equivalent Li(6)O3F3 octahedra, corners with two equivalent V(2)O6 octahedra,  an edgeedge with one Li(6)O3F3 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(5)O3F3 octahedra, edges with two equivalent Li(4)O4F2 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the fifth Li site, Li(5) is bonded to one O(4), two equivalent O(2), one F(3), and two equivalent F(2) atoms to form LiO3F3 octahedra that share  a cornercorner with one V(4)O4F2 octahedra, corners with two equivalent Li(2)O3F3 octahedra, corners with two equivalent V(3)O6 octahedra,  an edgeedge with one Li(2)O3F3 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent Li(3)O3F3 octahedra, edges with two equivalent Li(5)O3F3 octahedra, edges with two equivalent Li(6)O3F3 octahedra, edges with two equivalent Li(4)O4F2 octahedra, and edges with two equivalent V(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 3-14°. In the sixth Li site, Li(6) is bonded to one O(7), two equivalent O(3), one F(2), and two equivalent F(3) atoms to form LiO3F3 octahedra that share  a cornercorner with one Li(3)O3F3 octahedra,  a cornercorner with one V(4)O4F2 octahedra, corners with two equivalent Li(4)O4F2 octahedra, corners with two equivalent V(3)O6 octahedra,  an edgeedge with one Li(4)O4F2 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent Li(2)O3F3 octahedra, edges with two equivalent Li(5)O3F3 octahedra, edges with two equivalent Li(6)O3F3 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the seventh Li site, Li(7) is bonded in a 6-coordinate geometry to one O(5), one O(8), two equivalent F(1), and two equivalent F(4) atoms. In the eighth Li site, Li(8) is bonded in a 6-coordinate geometry to one O(6), two equivalent O(1), two equivalent O(8), and one F(4) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(2), two equivalent O(4), two equivalent O(5), and one F(1) atom to form VO5F octahedra that share  a cornercorner with one Li(4)O4F2 octahedra, corners with two equivalent Li(2)O3F3 octahedra, corners with two equivalent Li(3)O3F3 octahedra,  an edgeedge with one Li(2)O3F3 octahedra,  an edgeedge with one Li(3)O3F3 octahedra, edges with two equivalent Li(5)O3F3 octahedra, edges with two equivalent V(4)O4F2 octahedra, edges with two equivalent V(1)O5F octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-12°. In the second V site, V(2) is bonded to one O(1), one O(3), two equivalent O(6), and two equivalent O(7) atoms to form VO6 octahedra that share  a cornercorner with one Li(2)O3F3 octahedra,  a cornercorner with one Li(3)O3F3 octahedra, corners with two equivalent Li(4)O4F2 octahedra,  an edgeedge with one Li(4)O4F2 octahedra, edges with two equivalent Li(6)O3F3 octahedra, edges with two equivalent V(4)O4F2 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the third V site, V(3) is bonded to one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with two equivalent Li(5)O3F3 octahedra, corners with two equivalent Li(6)O3F3 octahedra,  an edgeedge with one Li(5)O3F3 octahedra,  an edgeedge with one Li(6)O3F3 octahedra, edges with two equivalent Li(2)O3F3 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with two equivalent V(1)O5F octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the fourth V site, V(4) is bonded to one O(4), one O(7), two equivalent O(1), and two equivalent F(1) atoms to form VO4F2 octahedra that share  a cornercorner with one Li(5)O3F3 octahedra,  a cornercorner with one Li(6)O3F3 octahedra, edges with two equivalent Li(3)O3F3 octahedra, edges with two equivalent V(4)O4F2 octahedra, edges with two equivalent V(1)O5F octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-14°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), two equivalent Li(8), one V(2), and two equivalent V(4) atoms to form distorted OLi3V3 octahedra that share  a cornercorner with one O(3)Li3V3 octahedra,  a cornercorner with one F(2)Li6 octahedra, corners with two equivalent O(8)Li6 octahedra, corners with two equivalent F(1)Li3V3 octahedra,  an edgeedge with one O(8)Li6 octahedra,  an edgeedge with one F(1)Li3V3 octahedra, edges with two equivalent O(1)Li3V3 octahedra, edges with two equivalent O(4)Li3V3 octahedra, edges with two equivalent O(6)Li3V3 octahedra, edges with two equivalent O(7)Li3V3 octahedra, and edges with two equivalent F(4)Li6 octahedra. The corner-sharing octahedral tilt angles range from 3-15°. In the second O site, O(2) is bonded to one Li(4), two equivalent Li(5), one V(1), and two equivalent V(3) atoms to form OLi3V3 octahedra that share  a cornercorner with one O(8)Li6 octahedra,  a cornercorner with one F(1)Li3V3 octahedra, corners with two equivalent O(3)Li3V3 octahedra, corners with two equivalent F(2)Li6 octahedra,  an edgeedge with one O(3)Li3V3 octahedra,  an edgeedge with one F(2)Li6 octahedra, edges with two equivalent O(2)Li3V3 octahedra, edges with two equivalent O(4)Li3V3 octahedra, edges with two equivalent O(5)Li3V3 octahedra, edges with two equivalent O(6)Li3V3 octahedra, and edges with two equivalent F(3)Li6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(6), one V(2), and two equivalent V(3) atoms to form OLi3V3 octahedra that share  a cornercorner with one O(1)Li3V3 octahedra,  a cornercorner with one F(4)Li6 octahedra, corners with two equivalent O(2)Li3V3 octahedra, corners with two equivalent F(3)Li6 octahedra,  an edgeedge with one O(2)Li3V3 octahedra,  an edgeedge with one F(3)Li6 octahedra, edges with two equivalent O(3)Li3V3 octahedra, edges with two equivalent O(5)Li3V3 octahedra, edges with two equivalent O(6)Li3V3 octahedra, edges with two equivalent O(7)Li3V3 octahedra, and edges with two equivalent F(2)Li6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the fourth O site, O(4) is bonded to one Li(5), two equivalent Li(3), one V(4), and two equivalent V(1) atoms to form OLi3V3 octahedra that share  a cornercorner with one O(7)Li3V3 octahedra,  a cornercorner with one F(3)Li6 octahedra, corners with two equivalent O(5)Li3V3 octahedra, corners with two equivalent F(4)Li6 octahedra,  an edgeedge with one O(5)Li3V3 octahedra,  an edgeedge with one F(4)Li6 octahedra, edges with two equivalent O(1)Li3V3 octahedra, edges with two equivalent O(2)Li3V3 octahedra, edges with two equivalent O(4)Li3V3 octahedra, edges with two equivalent F(1)Li3V3 octahedra, and edges with two equivalent F(2)Li6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the fifth O site, O(5) is bonded to one Li(7), two equivalent Li(2), one V(3), and two equivalent V(1) atoms to form OLi3V3 octahedra that share  a cornercorner with one O(6)Li3V3 octahedra,  a cornercorner with one O(8)Li6 octahedra, corners with two equivalent O(4)Li3V3 octahedra, corners with two equivalent F(2)Li6 octahedra,  an edgeedge with one O(4)Li3V3 octahedra,  an edgeedge with one F(2)Li6 octahedra, edges with two equivalent O(2)Li3V3 octahedra, edges with two equivalent O(3)Li3V3 octahedra, edges with two equivalent O(5)Li3V3 octahedra, edges with two equivalent F(1)Li3V3 octahedra, and edges with two equivalent F(4)Li6 octahedra. The corner-sharing octahedral tilt angles range from 1-19°. In the sixth O site, O(6) is bonded to one Li(8), two equivalent Li(4), one V(3), and two equivalent V(2) atoms to form OLi3V3 octahedra that share  a cornercorner with one O(5)Li3V3 octahedra,  a cornercorner with one F(4)Li6 octahedra, corners with two equivalent O(7)Li3V3 octahedra, corners with two equivalent F(3)Li6 octahedra,  an edgeedge with one O(7)Li3V3 octahedra,  an edgeedge with one F(3)Li6 octahedra, edges with two equivalent O(1)Li3V3 octahedra, edges with two equivalent O(2)Li3V3 octahedra, edges with two equivalent O(3)Li3V3 octahedra, edges with two equivalent O(6)Li3V3 octahedra, and edges with two equivalent O(8)Li6 octahedra. The corner-sharing octahedral tilt angles range from 0-23°. In the seventh O site, O(7) is bonded to one Li(6), two equivalent Li(1), one V(4), and two equivalent V(2) atoms to form distorted OLi3V3 octahedra that share  a cornercorner with one O(4)Li3V3 octahedra,  a cornercorner with one F(2)Li6 octahedra, corners with two equivalent O(6)Li3V3 octahedra, corners with two equivalent O(8)Li6 octahedra,  an edgeedge with one O(6)Li3V3 octahedra,  an edgeedge with one O(8)Li6 octahedra, edges with two equivalent O(1)Li3V3 octahedra, edges with two equivalent O(3)Li3V3 octahedra, edges with two equivalent O(7)Li3V3 octahedra, edges with two equivalent F(1)Li3V3 octahedra, and edges with two equivalent F(3)Li6 octahedra. The corner-sharing octahedral tilt angles range from 0-18°. In the eighth O site, O(8) is bonded to one Li(4), one Li(7), two equivalent Li(1), and two equivalent Li(8) atoms to form OLi6 octahedra that share  a cornercorner with one O(2)Li3V3 octahedra,  a cornercorner with one O(5)Li3V3 octahedra, corners with two equivalent O(1)Li3V3 octahedra, corners with two equivalent O(7)Li3V3 octahedra,  an edgeedge with one O(1)Li3V3 octahedra,  an edgeedge with one O(7)Li3V3 octahedra, edges with two equivalent O(6)Li3V3 octahedra, edges with two equivalent O(8)Li6 octahedra, edges with two equivalent F(1)Li3V3 octahedra, edges with two equivalent F(3)Li6 octahedra, and edges with two equivalent F(4)Li6 octahedra. The corner-sharing octahedral tilt angles range from 5-19°. There are four inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), two equivalent Li(7), one V(1), and two equivalent V(4) atoms to form distorted FLi3V3 octahedra that share  a cornercorner with one O(2)Li3V3 octahedra,  a cornercorner with one F(3)Li6 octahedra, corners with two equivalent O(1)Li3V3 octahedra, corners with two equivalent F(4)Li6 octahedra,  an edgeedge with one O(1)Li3V3 octahedra,  an edgeedge with one F(4)Li6 octahedra, edges with two equivalent O(4)Li3V3 octahedra, edges with two equivalent O(5)Li3V3 octahedra, edges with two equivalent O(7)Li3V3 octahedra, edges with two equivalent O(8)Li6 octahedra, and edges with two equivalent F(1)Li3V3 octahedra. The corner-sharing octahedral tilt angles range from 2-22°. In the second F site, F(2) is bonded to one Li(3), one Li(6), two equivalent Li(2), and two equivalent Li(5) atoms to form FLi6 octahedra that share  a cornercorner with one O(1)Li3V3 octahedra,  a cornercorner with one O(7)Li3V3 octahedra, corners with two equivalent O(2)Li3V3 octahedra, corners with two equivalent O(5)Li3V3 octahedra,  an edgeedge with one O(2)Li3V3 octahedra,  an edgeedge with one O(5)Li3V3 octahedra, edges with two equivalent O(3)Li3V3 octahedra, edges with two equivalent O(4)Li3V3 octahedra, edges with two equivalent F(2)Li6 octahedra, edges with two equivalent F(3)Li6 octahedra, and edges with two equivalent F(4)Li6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the third F site, F(3) is bonded to one Li(1), one Li(5), two equivalent Li(4), and two equivalent Li(6) atoms to form FLi6 octahedra that share  a cornercorner with one O(4)Li3V3 octahedra,  a cornercorner with one F(1)Li3V3 octahedra, corners with two equivalent O(3)Li3V3 octahedra, corners with two equivalent O(6)Li3V3 octahedra,  an edgeedge with one O(3)Li3V3 octahedra,  an edgeedge with one O(6)Li3V3 octahedra, edges with two equivalent O(2)Li3V3 octahedra, edges with two equivalent O(7)Li3V3 octahedra, edges with two equivalent O(8)Li6 octahedra, edges with two equivalent F(2)Li6 octahedra, and edges with two equivalent F(3)Li6 octahedra. The corner-sharing octahedral tilt angles range from 5-22°. In the fourth F site, F(4) is bonded to one Li(2), one Li(8), two equivalent Li(3), and two equivalent Li(7) atoms to form distorted FLi6 octahedra that share  a cornercorner with one O(3)Li3V3 octahedra,  a cornercorner with one O(6)Li3V3 octahedra, corners with two equivalent O(4)Li3V3 octahedra, corners with two equivalent F(1)Li3V3 octahedra,  an edgeedge with one O(4)Li3V3 octahedra,  an edgeedge with one F(1)Li3V3 octahedra, edges with two equivalent O(1)Li3V3 octahedra, edges with two equivalent O(5)Li3V3 octahedra, edges with two equivalent O(8)Li6 octahedra, edges with two equivalent F(2)Li6 octahedra, and edges with two equivalent F(4)Li6 octahedra. The corner-sharing octahedral tilt angles range from 5-23°. is represented by the CIF card [CIF]
data_Li2VO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.028
_cell_length_b   8.020
_cell_length_c   10.345
_cell_angle_alpha   110.223
_cell_angle_beta   90.116
_cell_angle_gamma   100.817
_symmetry_Int_Tables_number   1
_cell_volume   230.968
_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  0.941  0.876  0.294  1.0
  Li  Li1  1  0.920  0.841  0.789  1.0
  Li  Li2  1  0.577  0.154  0.956  1.0
  Li  Li3  1  0.572  0.144  0.441  1.0
  Li  Li4  1  0.078  0.154  0.701  1.0
  Li  Li5  1  0.419  0.841  0.538  1.0
  Li  Li6  1  0.440  0.883  0.056  1.0
  Li  Li7  1  0.067  0.132  0.224  1.0
  V  V8  1  0.748  0.496  0.867  1.0
  V  V9  1  0.745  0.495  0.377  1.0
  V  V10  1  0.242  0.500  0.624  1.0
  V  V11  1  0.258  0.486  0.131  1.0
  O  O12  1  0.674  0.346  0.164  1.0
  O  O13  1  0.656  0.347  0.669  1.0
  O  O14  1  0.830  0.653  0.584  1.0
  O  O15  1  0.191  0.360  0.923  1.0
  O  O16  1  0.312  0.652  0.833  1.0
  O  O17  1  0.178  0.351  0.423  1.0
  O  O18  1  0.314  0.640  0.329  1.0
  O  O19  1  0.500  0.995  0.249  1.0
  F  F20  1  0.841  0.650  0.082  1.0
  F  F21  1  0.504  0.004  0.751  1.0
  F  F22  1  0.996  0.996  0.508  1.0
  F  F23  1  0.999  0.001  0.987  1.0
[/CIF]
.
The crystal structure described by Li2VO2F is Caswellsilverite-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 two equivalent O(7), two equivalent O(8), one F(1), and one F(3) atom. In the second Li site, Li(2) is bonded to one O(3), two equivalent O(5), one F(4), and two equivalent F(2) atoms to form LiO3F3 octahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Li(5)O3F3 octahedra, corners with two equivalent V(1)O5F octahedra,  an edgeedge with one Li(5)O3F3 octahedra,  an edgeedge with one V(1)O5F octahedra, edges with two equivalent Li(2)O3F3 octahedra, edges with two equivalent Li(3)O3F3 octahedra, edges with two equivalent Li(6)O3F3 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the third Li site, Li(3) is bonded to one O(1), two equivalent O(4), one F(2), and two equivalent F(4) atoms to form LiO3F3 octahedra that share  a cornercorner with one Li(6)O3F3 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O5F octahedra,  an edgeedge with one V(1)O5F octahedra, edges with two equivalent Li(2)O3F3 octahedra, edges with two equivalent Li(3)O3F3 octahedra, edges with two equivalent Li(5)O3F3 octahedra, and edges with two equivalent V(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. In the fourth Li site, Li(4) is bonded to one O(2), one O(8), two equivalent O(6), and two equivalent F(3) atoms to form distorted LiO4F2 octahedra that share  a cornercorner with one V(1)O5F octahedra, corners with two equivalent Li(6)O3F3 octahedra, corners with two equivalent V(2)O6 octahedra,  an edgeedge with one Li(6)O3F3 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(5)O3F3 octahedra, edges with two equivalent Li(4)O4F2 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the fifth Li site, Li(5) is bonded to one O(4), two equivalent O(2), one F(3), and two equivalent F(2) atoms to form LiO3F3 octahedra that share  a cornercorner with one V(4)O4F2 octahedra, corners with two equivalent Li(2)O3F3 octahedra, corners with two equivalent V(3)O6 octahedra,  an edgeedge with one Li(2)O3F3 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent Li(3)O3F3 octahedra, edges with two equivalent Li(5)O3F3 octahedra, edges with two equivalent Li(6)O3F3 octahedra, edges with two equivalent Li(4)O4F2 octahedra, and edges with two equivalent V(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 3-14°. In the sixth Li site, Li(6) is bonded to one O(7), two equivalent O(3), one F(2), and two equivalent F(3) atoms to form LiO3F3 octahedra that share  a cornercorner with one Li(3)O3F3 octahedra,  a cornercorner with one V(4)O4F2 octahedra, corners with two equivalent Li(4)O4F2 octahedra, corners with two equivalent V(3)O6 octahedra,  an edgeedge with one Li(4)O4F2 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent Li(2)O3F3 octahedra, edges with two equivalent Li(5)O3F3 octahedra, edges with two equivalent Li(6)O3F3 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the seventh Li site, Li(7) is bonded in a 6-coordinate geometry to one O(5), one O(8), two equivalent F(1), and two equivalent F(4) atoms. In the eighth Li site, Li(8) is bonded in a 6-coordinate geometry to one O(6), two equivalent O(1), two equivalent O(8), and one F(4) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(2), two equivalent O(4), two equivalent O(5), and one F(1) atom to form VO5F octahedra that share  a cornercorner with one Li(4)O4F2 octahedra, corners with two equivalent Li(2)O3F3 octahedra, corners with two equivalent Li(3)O3F3 octahedra,  an edgeedge with one Li(2)O3F3 octahedra,  an edgeedge with one Li(3)O3F3 octahedra, edges with two equivalent Li(5)O3F3 octahedra, edges with two equivalent V(4)O4F2 octahedra, edges with two equivalent V(1)O5F octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-12°. In the second V site, V(2) is bonded to one O(1), one O(3), two equivalent O(6), and two equivalent O(7) atoms to form VO6 octahedra that share  a cornercorner with one Li(2)O3F3 octahedra,  a cornercorner with one Li(3)O3F3 octahedra, corners with two equivalent Li(4)O4F2 octahedra,  an edgeedge with one Li(4)O4F2 octahedra, edges with two equivalent Li(6)O3F3 octahedra, edges with two equivalent V(4)O4F2 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the third V site, V(3) is bonded to one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with two equivalent Li(5)O3F3 octahedra, corners with two equivalent Li(6)O3F3 octahedra,  an edgeedge with one Li(5)O3F3 octahedra,  an edgeedge with one Li(6)O3F3 octahedra, edges with two equivalent Li(2)O3F3 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with two equivalent V(1)O5F octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the fourth V site, V(4) is bonded to one O(4), one O(7), two equivalent O(1), and two equivalent F(1) atoms to form VO4F2 octahedra that share  a cornercorner with one Li(5)O3F3 octahedra,  a cornercorner with one Li(6)O3F3 octahedra, edges with two equivalent Li(3)O3F3 octahedra, edges with two equivalent V(4)O4F2 octahedra, edges with two equivalent V(1)O5F octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-14°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), two equivalent Li(8), one V(2), and two equivalent V(4) atoms to form distorted OLi3V3 octahedra that share  a cornercorner with one O(3)Li3V3 octahedra,  a cornercorner with one F(2)Li6 octahedra, corners with two equivalent O(8)Li6 octahedra, corners with two equivalent F(1)Li3V3 octahedra,  an edgeedge with one O(8)Li6 octahedra,  an edgeedge with one F(1)Li3V3 octahedra, edges with two equivalent O(1)Li3V3 octahedra, edges with two equivalent O(4)Li3V3 octahedra, edges with two equivalent O(6)Li3V3 octahedra, edges with two equivalent O(7)Li3V3 octahedra, and edges with two equivalent F(4)Li6 octahedra. The corner-sharing octahedral tilt angles range from 3-15°. In the second O site, O(2) is bonded to one Li(4), two equivalent Li(5), one V(1), and two equivalent V(3) atoms to form OLi3V3 octahedra that share  a cornercorner with one O(8)Li6 octahedra,  a cornercorner with one F(1)Li3V3 octahedra, corners with two equivalent O(3)Li3V3 octahedra, corners with two equivalent F(2)Li6 octahedra,  an edgeedge with one O(3)Li3V3 octahedra,  an edgeedge with one F(2)Li6 octahedra, edges with two equivalent O(2)Li3V3 octahedra, edges with two equivalent O(4)Li3V3 octahedra, edges with two equivalent O(5)Li3V3 octahedra, edges with two equivalent O(6)Li3V3 octahedra, and edges with two equivalent F(3)Li6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(6), one V(2), and two equivalent V(3) atoms to form OLi3V3 octahedra that share  a cornercorner with one O(1)Li3V3 octahedra,  a cornercorner with one F(4)Li6 octahedra, corners with two equivalent O(2)Li3V3 octahedra, corners with two equivalent F(3)Li6 octahedra,  an edgeedge with one O(2)Li3V3 octahedra,  an edgeedge with one F(3)Li6 octahedra, edges with two equivalent O(3)Li3V3 octahedra, edges with two equivalent O(5)Li3V3 octahedra, edges with two equivalent O(6)Li3V3 octahedra, edges with two equivalent O(7)Li3V3 octahedra, and edges with two equivalent F(2)Li6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the fourth O site, O(4) is bonded to one Li(5), two equivalent Li(3), one V(4), and two equivalent V(1) atoms to form OLi3V3 octahedra that share  a cornercorner with one O(7)Li3V3 octahedra,  a cornercorner with one F(3)Li6 octahedra, corners with two equivalent O(5)Li3V3 octahedra, corners with two equivalent F(4)Li6 octahedra,  an edgeedge with one O(5)Li3V3 octahedra,  an edgeedge with one F(4)Li6 octahedra, edges with two equivalent O(1)Li3V3 octahedra, edges with two equivalent O(2)Li3V3 octahedra, edges with two equivalent O(4)Li3V3 octahedra, edges with two equivalent F(1)Li3V3 octahedra, and edges with two equivalent F(2)Li6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the fifth O site, O(5) is bonded to one Li(7), two equivalent Li(2), one V(3), and two equivalent V(1) atoms to form OLi3V3 octahedra that share  a cornercorner with one O(6)Li3V3 octahedra,  a cornercorner with one O(8)Li6 octahedra, corners with two equivalent O(4)Li3V3 octahedra, corners with two equivalent F(2)Li6 octahedra,  an edgeedge with one O(4)Li3V3 octahedra,  an edgeedge with one F(2)Li6 octahedra, edges with two equivalent O(2)Li3V3 octahedra, edges with two equivalent O(3)Li3V3 octahedra, edges with two equivalent O(5)Li3V3 octahedra, edges with two equivalent F(1)Li3V3 octahedra, and edges with two equivalent F(4)Li6 octahedra. The corner-sharing octahedral tilt angles range from 1-19°. In the sixth O site, O(6) is bonded to one Li(8), two equivalent Li(4), one V(3), and two equivalent V(2) atoms to form OLi3V3 octahedra that share  a cornercorner with one O(5)Li3V3 octahedra,  a cornercorner with one F(4)Li6 octahedra, corners with two equivalent O(7)Li3V3 octahedra, corners with two equivalent F(3)Li6 octahedra,  an edgeedge with one O(7)Li3V3 octahedra,  an edgeedge with one F(3)Li6 octahedra, edges with two equivalent O(1)Li3V3 octahedra, edges with two equivalent O(2)Li3V3 octahedra, edges with two equivalent O(3)Li3V3 octahedra, edges with two equivalent O(6)Li3V3 octahedra, and edges with two equivalent O(8)Li6 octahedra. The corner-sharing octahedral tilt angles range from 0-23°. In the seventh O site, O(7) is bonded to one Li(6), two equivalent Li(1), one V(4), and two equivalent V(2) atoms to form distorted OLi3V3 octahedra that share  a cornercorner with one O(4)Li3V3 octahedra,  a cornercorner with one F(2)Li6 octahedra, corners with two equivalent O(6)Li3V3 octahedra, corners with two equivalent O(8)Li6 octahedra,  an edgeedge with one O(6)Li3V3 octahedra,  an edgeedge with one O(8)Li6 octahedra, edges with two equivalent O(1)Li3V3 octahedra, edges with two equivalent O(3)Li3V3 octahedra, edges with two equivalent O(7)Li3V3 octahedra, edges with two equivalent F(1)Li3V3 octahedra, and edges with two equivalent F(3)Li6 octahedra. The corner-sharing octahedral tilt angles range from 0-18°. In the eighth O site, O(8) is bonded to one Li(4), one Li(7), two equivalent Li(1), and two equivalent Li(8) atoms to form OLi6 octahedra that share  a cornercorner with one O(2)Li3V3 octahedra,  a cornercorner with one O(5)Li3V3 octahedra, corners with two equivalent O(1)Li3V3 octahedra, corners with two equivalent O(7)Li3V3 octahedra,  an edgeedge with one O(1)Li3V3 octahedra,  an edgeedge with one O(7)Li3V3 octahedra, edges with two equivalent O(6)Li3V3 octahedra, edges with two equivalent O(8)Li6 octahedra, edges with two equivalent F(1)Li3V3 octahedra, edges with two equivalent F(3)Li6 octahedra, and edges with two equivalent F(4)Li6 octahedra. The corner-sharing octahedral tilt angles range from 5-19°. There are four inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), two equivalent Li(7), one V(1), and two equivalent V(4) atoms to form distorted FLi3V3 octahedra that share  a cornercorner with one O(2)Li3V3 octahedra,  a cornercorner with one F(3)Li6 octahedra, corners with two equivalent O(1)Li3V3 octahedra, corners with two equivalent F(4)Li6 octahedra,  an edgeedge with one O(1)Li3V3 octahedra,  an edgeedge with one F(4)Li6 octahedra, edges with two equivalent O(4)Li3V3 octahedra, edges with two equivalent O(5)Li3V3 octahedra, edges with two equivalent O(7)Li3V3 octahedra, edges with two equivalent O(8)Li6 octahedra, and edges with two equivalent F(1)Li3V3 octahedra. The corner-sharing octahedral tilt angles range from 2-22°. In the second F site, F(2) is bonded to one Li(3), one Li(6), two equivalent Li(2), and two equivalent Li(5) atoms to form FLi6 octahedra that share  a cornercorner with one O(1)Li3V3 octahedra,  a cornercorner with one O(7)Li3V3 octahedra, corners with two equivalent O(2)Li3V3 octahedra, corners with two equivalent O(5)Li3V3 octahedra,  an edgeedge with one O(2)Li3V3 octahedra,  an edgeedge with one O(5)Li3V3 octahedra, edges with two equivalent O(3)Li3V3 octahedra, edges with two equivalent O(4)Li3V3 octahedra, edges with two equivalent F(2)Li6 octahedra, edges with two equivalent F(3)Li6 octahedra, and edges with two equivalent F(4)Li6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the third F site, F(3) is bonded to one Li(1), one Li(5), two equivalent Li(4), and two equivalent Li(6) atoms to form FLi6 octahedra that share  a cornercorner with one O(4)Li3V3 octahedra,  a cornercorner with one F(1)Li3V3 octahedra, corners with two equivalent O(3)Li3V3 octahedra, corners with two equivalent O(6)Li3V3 octahedra,  an edgeedge with one O(3)Li3V3 octahedra,  an edgeedge with one O(6)Li3V3 octahedra, edges with two equivalent O(2)Li3V3 octahedra, edges with two equivalent O(7)Li3V3 octahedra, edges with two equivalent O(8)Li6 octahedra, edges with two equivalent F(2)Li6 octahedra, and edges with two equivalent F(3)Li6 octahedra. The corner-sharing octahedral tilt angles range from 5-22°. In the fourth F site, F(4) is bonded to one Li(2), one Li(8), two equivalent Li(3), and two equivalent Li(7) atoms to form distorted FLi6 octahedra that share  a cornercorner with one O(3)Li3V3 octahedra,  a cornercorner with one O(6)Li3V3 octahedra, corners with two equivalent O(4)Li3V3 octahedra, corners with two equivalent F(1)Li3V3 octahedra,  an edgeedge with one O(4)Li3V3 octahedra,  an edgeedge with one F(1)Li3V3 octahedra, edges with two equivalent O(1)Li3V3 octahedra, edges with two equivalent O(5)Li3V3 octahedra, edges with two equivalent O(8)Li6 octahedra, edges with two equivalent F(2)Li6 octahedra, and edges with two equivalent F(4)Li6 octahedra. The corner-sharing octahedral tilt angles range from 5-23°. is represented by the CIF card [CIF]
data_Li2VO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.028
_cell_length_b   8.020
_cell_length_c   10.345
_cell_angle_alpha   110.223
_cell_angle_beta   90.116
_cell_angle_gamma   100.817
_symmetry_Int_Tables_number   1
_cell_volume   230.968
_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  0.941  0.876  0.294  1.0
  Li  Li1  1  0.920  0.841  0.789  1.0
  Li  Li2  1  0.577  0.154  0.956  1.0
  Li  Li3  1  0.572  0.144  0.441  1.0
  Li  Li4  1  0.078  0.154  0.701  1.0
  Li  Li5  1  0.419  0.841  0.538  1.0
  Li  Li6  1  0.440  0.883  0.056  1.0
  Li  Li7  1  0.067  0.132  0.224  1.0
  V  V8  1  0.748  0.496  0.867  1.0
  V  V9  1  0.745  0.495  0.377  1.0
  V  V10  1  0.242  0.500  0.624  1.0
  V  V11  1  0.258  0.486  0.131  1.0
  O  O12  1  0.674  0.346  0.164  1.0
  O  O13  1  0.656  0.347  0.669  1.0
  O  O14  1  0.830  0.653  0.584  1.0
  O  O15  1  0.191  0.360  0.923  1.0
  O  O16  1  0.312  0.652  0.833  1.0
  O  O17  1  0.178  0.351  0.423  1.0
  O  O18  1  0.314  0.640  0.329  1.0
  O  O19  1  0.500  0.995  0.249  1.0
  F  F20  1  0.841  0.650  0.082  1.0
  F  F21  1  0.504  0.004  0.751  1.0
  F  F22  1  0.996  0.996  0.508  1.0
  F  F23  1  0.999  0.001  0.987  1.0
[/CIF]
.