The crystal structure described by Li4V5O9F crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one V(1)O5F octahedra,  a cornercorner with one V(5)O5F octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, corners with two equivalent V(3)O5F octahedra,  an edgeedge with one Li(3)O5F octahedra,  an edgeedge with one V(5)O5F octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Li(4)O5F octahedra, edges with two equivalent Li(2)O6 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 2-12°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one V(1)O5F octahedra,  a cornercorner with one V(3)O5F octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, corners with two equivalent V(5)O5F octahedra,  an edgeedge with one Li(4)O5F octahedra,  an edgeedge with one V(1)O5F octahedra,  an edgeedge with one V(3)O5F octahedra, edges with two equivalent Li(3)O5F octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. In the third Li site, Li(3) is bonded to one O(2), one O(3), one O(6), one O(7), one O(8), and one F(1) atom to form LiO5F octahedra that share  a cornercorner with one V(3)O5F octahedra,  a cornercorner with one V(5)O5F octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, corners with two equivalent V(1)O5F octahedra,  an edgeedge with one Li(4)O5F octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one V(5)O5F octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(3)O5F octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the fourth Li site, Li(4) is bonded to one O(1), one O(4), one O(5), one O(8), one O(9), and one F(1) atom to form LiO5F octahedra that share  a cornercorner with one V(1)O5F octahedra,  a cornercorner with one V(3)O5F octahedra,  a cornercorner with one V(5)O5F octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(4)O6 octahedra,  an edgeedge with one Li(3)O5F octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(3)O5F octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(1)O5F octahedra, and edges with two equivalent V(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 4-12°. There are five inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(4), one O(5), one O(7), one O(9), and one F(1) atom to form VO5F octahedra that share  a cornercorner with one Li(4)O5F octahedra,  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(3)O5F octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(3)O5F octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Li(4)O5F octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(5)O5F octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one Li(3)O5F octahedra,  a cornercorner with one Li(4)O5F octahedra,  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O5F octahedra,  an edgeedge with one Li(4)O5F octahedra,  an edgeedge with one V(3)O5F octahedra,  an edgeedge with one V(5)O5F octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(1)O5F octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. In the third V site, V(3) is bonded to one O(2), one O(3), one O(6), one O(8), one O(9), and one F(1) atom to form VO5F octahedra that share  a cornercorner with one Li(3)O5F octahedra,  a cornercorner with one Li(4)O5F octahedra,  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(4)O5F octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(1)O5F octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(3)O5F octahedra, edges with two equivalent V(5)O5F octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. In the fourth V site, V(4) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(3)O5F octahedra,  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(4)O5F octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one V(1)O5F octahedra,  an edgeedge with one V(5)O5F octahedra, edges with two equivalent Li(3)O5F octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(3)O5F octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the fifth V site, V(5) is bonded to one O(3), one O(4), one O(5), one O(8), one O(9), and one F(1) atom to form VO5F octahedra that share  a cornercorner with one Li(3)O5F octahedra,  a cornercorner with one Li(4)O5F octahedra,  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(3)O5F octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Li(4)O5F octahedra, edges with two equivalent V(1)O5F octahedra, and edges with two equivalent V(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 6-10°. There are nine inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(4), one V(1), one V(2), and one V(4) atom to form OLi3V3 octahedra that share  a cornercorner with one O(5)Li3V3 octahedra,  a cornercorner with one O(7)Li3V3 octahedra,  a cornercorner with one O(6)Li2V3 square pyramid,  a cornercorner with one O(9)Li2V3 square pyramid, corners with two equivalent O(8)Li2V3 square pyramids, edges with two equivalent O(2)Li3V3 octahedra, edges with two equivalent O(5)Li3V3 octahedra, edges with two equivalent O(7)Li3V3 octahedra,  an edgeedge with one O(3)Li2V3 square pyramid,  an edgeedge with one O(6)Li2V3 square pyramid,  an edgeedge with one O(9)Li2V3 square pyramid,  an edgeedge with one F(1)Li2V3 square pyramid, and edges with two equivalent O(4)Li2V3 square pyramids. The corner-sharing octahedral tilt angles are 1°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one V(2), one V(3), and one V(4) atom to form OLi3V3 octahedra that share  a cornercorner with one O(5)Li3V3 octahedra,  a cornercorner with one O(7)Li3V3 octahedra,  a cornercorner with one O(6)Li2V3 square pyramid,  a cornercorner with one O(8)Li2V3 square pyramid, corners with two equivalent O(9)Li2V3 square pyramids,  an edgeedge with one O(5)Li3V3 octahedra, edges with two equivalent O(1)Li3V3 octahedra, edges with two equivalent O(7)Li3V3 octahedra,  an edgeedge with one O(4)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid,  an edgeedge with one F(1)Li2V3 square pyramid, edges with two equivalent O(3)Li2V3 square pyramids, and edges with two equivalent O(6)Li2V3 square pyramids. The corner-sharing octahedral tilt angles range from 1-3°. In the third O site, O(3) is bonded to one Li(2), one Li(3), one V(3), one V(4), and one V(5) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(7)Li3V3 octahedra, corners with two equivalent O(5)Li3V3 octahedra,  a cornercorner with one O(4)Li2V3 square pyramid,  a cornercorner with one F(1)Li2V3 square pyramid, corners with two equivalent O(6)Li2V3 square pyramids, corners with two equivalent O(8)Li2V3 square pyramids,  an edgeedge with one O(1)Li3V3 octahedra,  an edgeedge with one O(7)Li3V3 octahedra, edges with two equivalent O(2)Li3V3 octahedra,  an edgeedge with one O(6)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid,  an edgeedge with one O(9)Li2V3 square pyramid, and  an edgeedge with one F(1)Li2V3 square pyramid. The corner-sharing octahedral tilt angles range from 1-6°. In the fourth O site, O(4) is bonded to one Li(1), one Li(4), one V(1), one V(2), and one V(5) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(5)Li3V3 octahedra,  a cornercorner with one O(7)Li3V3 octahedra,  a cornercorner with one O(3)Li2V3 square pyramid,  a cornercorner with one O(6)Li2V3 square pyramid,  a cornercorner with one F(1)Li2V3 square pyramid, corners with two equivalent O(8)Li2V3 square pyramids, corners with two equivalent O(9)Li2V3 square pyramids,  an edgeedge with one O(2)Li3V3 octahedra,  an edgeedge with one O(7)Li3V3 octahedra, edges with two equivalent O(1)Li3V3 octahedra, edges with two equivalent O(5)Li3V3 octahedra,  an edgeedge with one O(9)Li2V3 square pyramid, and  an edgeedge with one F(1)Li2V3 square pyramid. The corner-sharing octahedral tilt angles are 4°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(4), one V(1), one V(2), and one V(5) atom to form OLi3V3 octahedra that share  a cornercorner with one O(1)Li3V3 octahedra,  a cornercorner with one O(2)Li3V3 octahedra,  a cornercorner with one O(4)Li2V3 square pyramid,  a cornercorner with one F(1)Li2V3 square pyramid, corners with two equivalent O(3)Li2V3 square pyramids,  an edgeedge with one O(2)Li3V3 octahedra, edges with two equivalent O(1)Li3V3 octahedra, edges with two equivalent O(7)Li3V3 octahedra,  an edgeedge with one O(6)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid,  an edgeedge with one F(1)Li2V3 square pyramid, edges with two equivalent O(4)Li2V3 square pyramids, and edges with two equivalent O(9)Li2V3 square pyramids. The corner-sharing octahedral tilt angles are 1°. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one V(2), one V(3), and one V(4) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(1)Li3V3 octahedra,  a cornercorner with one O(2)Li3V3 octahedra,  a cornercorner with one O(4)Li2V3 square pyramid,  a cornercorner with one O(8)Li2V3 square pyramid,  a cornercorner with one O(9)Li2V3 square pyramid, corners with two equivalent O(3)Li2V3 square pyramids, corners with two equivalent F(1)Li2V3 square pyramids,  an edgeedge with one O(1)Li3V3 octahedra,  an edgeedge with one O(5)Li3V3 octahedra, edges with two equivalent O(2)Li3V3 octahedra, edges with two equivalent O(7)Li3V3 octahedra,  an edgeedge with one O(3)Li2V3 square pyramid, and  an edgeedge with one O(8)Li2V3 square pyramid. The corner-sharing octahedral tilt angles range from 4-7°. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Li(3), one V(1), one V(2), and one V(4) atom to form OLi3V3 octahedra that share  a cornercorner with one O(1)Li3V3 octahedra,  a cornercorner with one O(2)Li3V3 octahedra,  a cornercorner with one O(3)Li2V3 square pyramid,  a cornercorner with one O(4)Li2V3 square pyramid, corners with two equivalent F(1)Li2V3 square pyramids, edges with two equivalent O(1)Li3V3 octahedra, edges with two equivalent O(2)Li3V3 octahedra, edges with two equivalent O(5)Li3V3 octahedra,  an edgeedge with one O(3)Li2V3 square pyramid,  an edgeedge with one O(4)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid,  an edgeedge with one O(9)Li2V3 square pyramid, and edges with two equivalent O(6)Li2V3 square pyramids. The corner-sharing octahedral tilt angles range from 1-3°. In the eighth O site, O(8) is bonded to one Li(3), one Li(4), one V(3), one V(4), and one V(5) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(2)Li3V3 octahedra, corners with two equivalent O(1)Li3V3 octahedra,  a cornercorner with one O(6)Li2V3 square pyramid,  a cornercorner with one O(9)Li2V3 square pyramid, corners with two equivalent O(3)Li2V3 square pyramids, corners with two equivalent O(4)Li2V3 square pyramids,  an edgeedge with one O(2)Li3V3 octahedra,  an edgeedge with one O(5)Li3V3 octahedra,  an edgeedge with one O(7)Li3V3 octahedra,  an edgeedge with one O(3)Li2V3 square pyramid,  an edgeedge with one O(6)Li2V3 square pyramid,  an edgeedge with one O(9)Li2V3 square pyramid, and edges with two equivalent F(1)Li2V3 square pyramids. The corner-sharing octahedral tilt angles range from 4-6°. In the ninth O site, O(9) is bonded to one Li(1), one Li(4), one V(1), one V(3), and one V(5) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(1)Li3V3 octahedra, corners with two equivalent O(2)Li3V3 octahedra,  a cornercorner with one O(6)Li2V3 square pyramid,  a cornercorner with one O(8)Li2V3 square pyramid, corners with two equivalent O(4)Li2V3 square pyramids, corners with two equivalent F(1)Li2V3 square pyramids,  an edgeedge with one O(1)Li3V3 octahedra,  an edgeedge with one O(7)Li3V3 octahedra, edges with two equivalent O(5)Li3V3 octahedra,  an edgeedge with one O(3)Li2V3 square pyramid,  an edgeedge with one O(4)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid, and  an edgeedge with one F(1)Li2V3 square pyramid. The corner-sharing octahedral tilt angles range from 4-7°. F(1) is bonded to one Li(3), one Li(4), one V(1), one V(3), and one V(5) atom to form FLi2V3 square pyramids that share  a cornercorner with one O(5)Li3V3 octahedra, corners with two equivalent O(7)Li3V3 octahedra,  a cornercorner with one O(3)Li2V3 square pyramid,  a cornercorner with one O(4)Li2V3 square pyramid, corners with two equivalent O(6)Li2V3 square pyramids, corners with two equivalent O(9)Li2V3 square pyramids,  an edgeedge with one O(1)Li3V3 octahedra,  an edgeedge with one O(2)Li3V3 octahedra,  an edgeedge with one O(5)Li3V3 octahedra,  an edgeedge with one O(3)Li2V3 square pyramid,  an edgeedge with one O(4)Li2V3 square pyramid,  an edgeedge with one O(9)Li2V3 square pyramid, and edges with two equivalent O(8)Li2V3 square pyramids. The corner-sharing octahedral tilt angles range from 1-3°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4V5O9F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.234
_cell_length_b   5.186
_cell_length_c   8.028
_cell_angle_alpha   71.241
_cell_angle_beta   70.627
_cell_angle_gamma   79.251
_symmetry_Int_Tables_number   1
_cell_volume   193.859
_cell_formula_units_Z   1
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  0.497  0.707  0.097  1.0
  Li  Li1  1  0.494  0.094  0.314  1.0
  Li  Li2  1  0.505  0.507  0.492  1.0
  Li  Li3  1  0.517  0.316  0.899  1.0
  V  V4  1  1.000  0.996  0.006  1.0
  V  V5  1  1.000  0.395  0.198  1.0
  V  V6  1  0.991  0.195  0.597  1.0
  V  V7  1  0.990  0.795  0.404  1.0
  V  V8  1  0.992  0.617  0.800  1.0
  O  O9  1  0.227  0.046  0.151  1.0
  O  O10  1  0.223  0.441  0.362  1.0
  O  O11  1  0.211  0.844  0.552  1.0
  O  O12  1  0.214  0.645  0.962  1.0
  O  O13  1  0.776  0.356  0.035  1.0
  O  O14  1  0.777  0.159  0.432  1.0
  O  O15  1  0.769  0.748  0.250  1.0
  O  O16  1  0.783  0.533  0.652  1.0
  O  O17  1  0.784  0.968  0.849  1.0
  F  F18  1  0.241  0.260  0.753  1.0
[/CIF]
.
The crystal structure described by Li4V5O9F crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one V(1)O5F octahedra,  a cornercorner with one V(5)O5F octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, corners with two equivalent V(3)O5F octahedra,  an edgeedge with one Li(3)O5F octahedra,  an edgeedge with one V(5)O5F octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Li(4)O5F octahedra, edges with two equivalent Li(2)O6 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 2-12°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one V(1)O5F octahedra,  a cornercorner with one V(3)O5F octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, corners with two equivalent V(5)O5F octahedra,  an edgeedge with one Li(4)O5F octahedra,  an edgeedge with one V(1)O5F octahedra,  an edgeedge with one V(3)O5F octahedra, edges with two equivalent Li(3)O5F octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. In the third Li site, Li(3) is bonded to one O(2), one O(3), one O(6), one O(7), one O(8), and one F(1) atom to form LiO5F octahedra that share  a cornercorner with one V(3)O5F octahedra,  a cornercorner with one V(5)O5F octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, corners with two equivalent V(1)O5F octahedra,  an edgeedge with one Li(4)O5F octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one V(5)O5F octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(3)O5F octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the fourth Li site, Li(4) is bonded to one O(1), one O(4), one O(5), one O(8), one O(9), and one F(1) atom to form LiO5F octahedra that share  a cornercorner with one V(1)O5F octahedra,  a cornercorner with one V(3)O5F octahedra,  a cornercorner with one V(5)O5F octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(4)O6 octahedra,  an edgeedge with one Li(3)O5F octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(3)O5F octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(1)O5F octahedra, and edges with two equivalent V(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 4-12°. There are five inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(4), one O(5), one O(7), one O(9), and one F(1) atom to form VO5F octahedra that share  a cornercorner with one Li(4)O5F octahedra,  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(3)O5F octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(3)O5F octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Li(4)O5F octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(5)O5F octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one Li(3)O5F octahedra,  a cornercorner with one Li(4)O5F octahedra,  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O5F octahedra,  an edgeedge with one Li(4)O5F octahedra,  an edgeedge with one V(3)O5F octahedra,  an edgeedge with one V(5)O5F octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(1)O5F octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. In the third V site, V(3) is bonded to one O(2), one O(3), one O(6), one O(8), one O(9), and one F(1) atom to form VO5F octahedra that share  a cornercorner with one Li(3)O5F octahedra,  a cornercorner with one Li(4)O5F octahedra,  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(4)O5F octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(1)O5F octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(3)O5F octahedra, edges with two equivalent V(5)O5F octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. In the fourth V site, V(4) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(3)O5F octahedra,  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(4)O5F octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one V(1)O5F octahedra,  an edgeedge with one V(5)O5F octahedra, edges with two equivalent Li(3)O5F octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(3)O5F octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the fifth V site, V(5) is bonded to one O(3), one O(4), one O(5), one O(8), one O(9), and one F(1) atom to form VO5F octahedra that share  a cornercorner with one Li(3)O5F octahedra,  a cornercorner with one Li(4)O5F octahedra,  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(3)O5F octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Li(4)O5F octahedra, edges with two equivalent V(1)O5F octahedra, and edges with two equivalent V(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 6-10°. There are nine inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(4), one V(1), one V(2), and one V(4) atom to form OLi3V3 octahedra that share  a cornercorner with one O(5)Li3V3 octahedra,  a cornercorner with one O(7)Li3V3 octahedra,  a cornercorner with one O(6)Li2V3 square pyramid,  a cornercorner with one O(9)Li2V3 square pyramid, corners with two equivalent O(8)Li2V3 square pyramids, edges with two equivalent O(2)Li3V3 octahedra, edges with two equivalent O(5)Li3V3 octahedra, edges with two equivalent O(7)Li3V3 octahedra,  an edgeedge with one O(3)Li2V3 square pyramid,  an edgeedge with one O(6)Li2V3 square pyramid,  an edgeedge with one O(9)Li2V3 square pyramid,  an edgeedge with one F(1)Li2V3 square pyramid, and edges with two equivalent O(4)Li2V3 square pyramids. The corner-sharing octahedral tilt angles are 1°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one V(2), one V(3), and one V(4) atom to form OLi3V3 octahedra that share  a cornercorner with one O(5)Li3V3 octahedra,  a cornercorner with one O(7)Li3V3 octahedra,  a cornercorner with one O(6)Li2V3 square pyramid,  a cornercorner with one O(8)Li2V3 square pyramid, corners with two equivalent O(9)Li2V3 square pyramids,  an edgeedge with one O(5)Li3V3 octahedra, edges with two equivalent O(1)Li3V3 octahedra, edges with two equivalent O(7)Li3V3 octahedra,  an edgeedge with one O(4)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid,  an edgeedge with one F(1)Li2V3 square pyramid, edges with two equivalent O(3)Li2V3 square pyramids, and edges with two equivalent O(6)Li2V3 square pyramids. The corner-sharing octahedral tilt angles range from 1-3°. In the third O site, O(3) is bonded to one Li(2), one Li(3), one V(3), one V(4), and one V(5) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(7)Li3V3 octahedra, corners with two equivalent O(5)Li3V3 octahedra,  a cornercorner with one O(4)Li2V3 square pyramid,  a cornercorner with one F(1)Li2V3 square pyramid, corners with two equivalent O(6)Li2V3 square pyramids, corners with two equivalent O(8)Li2V3 square pyramids,  an edgeedge with one O(1)Li3V3 octahedra,  an edgeedge with one O(7)Li3V3 octahedra, edges with two equivalent O(2)Li3V3 octahedra,  an edgeedge with one O(6)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid,  an edgeedge with one O(9)Li2V3 square pyramid, and  an edgeedge with one F(1)Li2V3 square pyramid. The corner-sharing octahedral tilt angles range from 1-6°. In the fourth O site, O(4) is bonded to one Li(1), one Li(4), one V(1), one V(2), and one V(5) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(5)Li3V3 octahedra,  a cornercorner with one O(7)Li3V3 octahedra,  a cornercorner with one O(3)Li2V3 square pyramid,  a cornercorner with one O(6)Li2V3 square pyramid,  a cornercorner with one F(1)Li2V3 square pyramid, corners with two equivalent O(8)Li2V3 square pyramids, corners with two equivalent O(9)Li2V3 square pyramids,  an edgeedge with one O(2)Li3V3 octahedra,  an edgeedge with one O(7)Li3V3 octahedra, edges with two equivalent O(1)Li3V3 octahedra, edges with two equivalent O(5)Li3V3 octahedra,  an edgeedge with one O(9)Li2V3 square pyramid, and  an edgeedge with one F(1)Li2V3 square pyramid. The corner-sharing octahedral tilt angles are 4°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(4), one V(1), one V(2), and one V(5) atom to form OLi3V3 octahedra that share  a cornercorner with one O(1)Li3V3 octahedra,  a cornercorner with one O(2)Li3V3 octahedra,  a cornercorner with one O(4)Li2V3 square pyramid,  a cornercorner with one F(1)Li2V3 square pyramid, corners with two equivalent O(3)Li2V3 square pyramids,  an edgeedge with one O(2)Li3V3 octahedra, edges with two equivalent O(1)Li3V3 octahedra, edges with two equivalent O(7)Li3V3 octahedra,  an edgeedge with one O(6)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid,  an edgeedge with one F(1)Li2V3 square pyramid, edges with two equivalent O(4)Li2V3 square pyramids, and edges with two equivalent O(9)Li2V3 square pyramids. The corner-sharing octahedral tilt angles are 1°. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one V(2), one V(3), and one V(4) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(1)Li3V3 octahedra,  a cornercorner with one O(2)Li3V3 octahedra,  a cornercorner with one O(4)Li2V3 square pyramid,  a cornercorner with one O(8)Li2V3 square pyramid,  a cornercorner with one O(9)Li2V3 square pyramid, corners with two equivalent O(3)Li2V3 square pyramids, corners with two equivalent F(1)Li2V3 square pyramids,  an edgeedge with one O(1)Li3V3 octahedra,  an edgeedge with one O(5)Li3V3 octahedra, edges with two equivalent O(2)Li3V3 octahedra, edges with two equivalent O(7)Li3V3 octahedra,  an edgeedge with one O(3)Li2V3 square pyramid, and  an edgeedge with one O(8)Li2V3 square pyramid. The corner-sharing octahedral tilt angles range from 4-7°. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Li(3), one V(1), one V(2), and one V(4) atom to form OLi3V3 octahedra that share  a cornercorner with one O(1)Li3V3 octahedra,  a cornercorner with one O(2)Li3V3 octahedra,  a cornercorner with one O(3)Li2V3 square pyramid,  a cornercorner with one O(4)Li2V3 square pyramid, corners with two equivalent F(1)Li2V3 square pyramids, edges with two equivalent O(1)Li3V3 octahedra, edges with two equivalent O(2)Li3V3 octahedra, edges with two equivalent O(5)Li3V3 octahedra,  an edgeedge with one O(3)Li2V3 square pyramid,  an edgeedge with one O(4)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid,  an edgeedge with one O(9)Li2V3 square pyramid, and edges with two equivalent O(6)Li2V3 square pyramids. The corner-sharing octahedral tilt angles range from 1-3°. In the eighth O site, O(8) is bonded to one Li(3), one Li(4), one V(3), one V(4), and one V(5) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(2)Li3V3 octahedra, corners with two equivalent O(1)Li3V3 octahedra,  a cornercorner with one O(6)Li2V3 square pyramid,  a cornercorner with one O(9)Li2V3 square pyramid, corners with two equivalent O(3)Li2V3 square pyramids, corners with two equivalent O(4)Li2V3 square pyramids,  an edgeedge with one O(2)Li3V3 octahedra,  an edgeedge with one O(5)Li3V3 octahedra,  an edgeedge with one O(7)Li3V3 octahedra,  an edgeedge with one O(3)Li2V3 square pyramid,  an edgeedge with one O(6)Li2V3 square pyramid,  an edgeedge with one O(9)Li2V3 square pyramid, and edges with two equivalent F(1)Li2V3 square pyramids. The corner-sharing octahedral tilt angles range from 4-6°. In the ninth O site, O(9) is bonded to one Li(1), one Li(4), one V(1), one V(3), and one V(5) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(1)Li3V3 octahedra, corners with two equivalent O(2)Li3V3 octahedra,  a cornercorner with one O(6)Li2V3 square pyramid,  a cornercorner with one O(8)Li2V3 square pyramid, corners with two equivalent O(4)Li2V3 square pyramids, corners with two equivalent F(1)Li2V3 square pyramids,  an edgeedge with one O(1)Li3V3 octahedra,  an edgeedge with one O(7)Li3V3 octahedra, edges with two equivalent O(5)Li3V3 octahedra,  an edgeedge with one O(3)Li2V3 square pyramid,  an edgeedge with one O(4)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid, and  an edgeedge with one F(1)Li2V3 square pyramid. The corner-sharing octahedral tilt angles range from 4-7°. F(1) is bonded to one Li(3), one Li(4), one V(1), one V(3), and one V(5) atom to form FLi2V3 square pyramids that share  a cornercorner with one O(5)Li3V3 octahedra, corners with two equivalent O(7)Li3V3 octahedra,  a cornercorner with one O(3)Li2V3 square pyramid,  a cornercorner with one O(4)Li2V3 square pyramid, corners with two equivalent O(6)Li2V3 square pyramids, corners with two equivalent O(9)Li2V3 square pyramids,  an edgeedge with one O(1)Li3V3 octahedra,  an edgeedge with one O(2)Li3V3 octahedra,  an edgeedge with one O(5)Li3V3 octahedra,  an edgeedge with one O(3)Li2V3 square pyramid,  an edgeedge with one O(4)Li2V3 square pyramid,  an edgeedge with one O(9)Li2V3 square pyramid, and edges with two equivalent O(8)Li2V3 square pyramids. The corner-sharing octahedral tilt angles range from 1-3°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4V5O9F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.234
_cell_length_b   5.186
_cell_length_c   8.028
_cell_angle_alpha   71.241
_cell_angle_beta   70.627
_cell_angle_gamma   79.251
_symmetry_Int_Tables_number   1
_cell_volume   193.859
_cell_formula_units_Z   1
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  0.497  0.707  0.097  1.0
  Li  Li1  1  0.494  0.094  0.314  1.0
  Li  Li2  1  0.505  0.507  0.492  1.0
  Li  Li3  1  0.517  0.316  0.899  1.0
  V  V4  1  1.000  0.996  0.006  1.0
  V  V5  1  1.000  0.395  0.198  1.0
  V  V6  1  0.991  0.195  0.597  1.0
  V  V7  1  0.990  0.795  0.404  1.0
  V  V8  1  0.992  0.617  0.800  1.0
  O  O9  1  0.227  0.046  0.151  1.0
  O  O10  1  0.223  0.441  0.362  1.0
  O  O11  1  0.211  0.844  0.552  1.0
  O  O12  1  0.214  0.645  0.962  1.0
  O  O13  1  0.776  0.356  0.035  1.0
  O  O14  1  0.777  0.159  0.432  1.0
  O  O15  1  0.769  0.748  0.250  1.0
  O  O16  1  0.783  0.533  0.652  1.0
  O  O17  1  0.784  0.968  0.849  1.0
  F  F18  1  0.241  0.260  0.753  1.0
[/CIF]
.