The material described by Li5VO4F crystallizes in the monoclinic Cm space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form LiO5 trigonal bipyramids that share  a cornercorner with one Li(2)O3F2 square pyramid,  a cornercorner with one Li(3)O4F square pyramid,  a cornercorner with one Li(4)O4F trigonal bipyramid, corners with two equivalent Li(1)O5 trigonal bipyramids, edges with three equivalent V(1)O5F octahedra,  an edgeedge with one Li(2)O3F2 square pyramid, edges with two equivalent Li(3)O4F square pyramids, and edges with two equivalent Li(4)O4F trigonal bipyramids. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(4), and two equivalent F(1) atoms to form distorted LiO3F2 square pyramids that share corners with two equivalent V(1)O5F octahedra,  a cornercorner with one Li(3)O4F square pyramid, corners with two equivalent Li(2)O3F2 square pyramids,  a cornercorner with one Li(4)O4F trigonal bipyramid,  a cornercorner with one Li(1)O5 trigonal bipyramid, edges with two equivalent V(1)O5F octahedra, edges with two equivalent Li(3)O4F square pyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid, and edges with two equivalent Li(4)O4F trigonal bipyramids. The corner-sharing octahedral tilt angles range from 10-11°. In the third Li site, Li(3) is bonded to one O(1), one O(2), two equivalent O(3), and one F(1) atom to form distorted LiO4F square pyramids that share corners with two equivalent V(1)O5F octahedra,  a cornercorner with one Li(2)O3F2 square pyramid, corners with two equivalent Li(3)O4F square pyramids,  a cornercorner with one Li(4)O4F trigonal bipyramid,  a cornercorner with one Li(1)O5 trigonal bipyramid, edges with two equivalent V(1)O5F octahedra, edges with two equivalent Li(2)O3F2 square pyramids,  an edgeedge with one Li(4)O4F trigonal bipyramid, and edges with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 3-10°. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), two equivalent O(4), and one F(1) atom to form LiO4F trigonal bipyramids that share  a cornercorner with one Li(2)O3F2 square pyramid,  a cornercorner with one Li(3)O4F square pyramid,  a cornercorner with one Li(1)O5 trigonal bipyramid, corners with two equivalent Li(4)O4F trigonal bipyramids, edges with three equivalent V(1)O5F octahedra,  an edgeedge with one Li(3)O4F square pyramid, edges with two equivalent Li(2)O3F2 square pyramids, and edges with two equivalent Li(1)O5 trigonal bipyramids. In the fifth Li site, Li(5) is bonded in a rectangular see-saw-like geometry to one O(1), one O(3), one O(4), and one F(1) atom. V(1) is bonded to one O(1), one O(3), one O(4), two equivalent O(2), and one F(1) atom to form VO5F octahedra that share corners with two equivalent V(1)O5F octahedra, corners with two equivalent Li(2)O3F2 square pyramids, corners with two equivalent Li(3)O4F square pyramids, edges with two equivalent Li(2)O3F2 square pyramids, edges with two equivalent Li(3)O4F square pyramids, edges with three equivalent Li(4)O4F trigonal bipyramids, and edges with three equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 11°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Li(4), one Li(5), two equivalent Li(1), and one V(1) atom to form OLi5V octahedra that share corners with two equivalent O(1)Li5V octahedra, corners with two equivalent O(4)Li5V octahedra, edges with two equivalent O(4)Li5V octahedra, edges with two equivalent F(1)Li5V octahedra, edges with three equivalent O(2)Li4V2 octahedra, and edges with three equivalent O(3)Li5V octahedra. The corner-sharing octahedral tilt angles range from 4-20°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), and two equivalent V(1) atoms to form OLi4V2 octahedra that share corners with two equivalent O(2)Li4V2 octahedra, corners with two equivalent O(3)Li5V octahedra, corners with two equivalent F(1)Li5V octahedra, edges with two equivalent O(3)Li5V octahedra, edges with two equivalent F(1)Li5V octahedra, edges with three equivalent O(1)Li5V octahedra, and edges with three equivalent O(4)Li5V octahedra. The corner-sharing octahedral tilt angles range from 11-19°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(5), two equivalent Li(3), and one V(1) atom to form OLi5V octahedra that share corners with two equivalent O(2)Li4V2 octahedra, corners with two equivalent O(3)Li5V octahedra, corners with two equivalent F(1)Li5V octahedra, edges with two equivalent O(2)Li4V2 octahedra, edges with two equivalent O(4)Li5V octahedra, edges with two equivalent F(1)Li5V octahedra, and edges with three equivalent O(1)Li5V octahedra. The corner-sharing octahedral tilt angles range from 0-20°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(5), two equivalent Li(4), and one V(1) atom to form OLi5V octahedra that share corners with two equivalent O(1)Li5V octahedra, corners with two equivalent O(4)Li5V octahedra, edges with two equivalent O(1)Li5V octahedra, edges with two equivalent O(3)Li5V octahedra, edges with three equivalent O(2)Li4V2 octahedra, and edges with three equivalent F(1)Li5V octahedra. The corner-sharing octahedral tilt angles range from 4-21°. F(1) is bonded to one Li(3), one Li(4), one Li(5), two equivalent Li(2), and one V(1) atom to form FLi5V octahedra that share corners with two equivalent O(2)Li4V2 octahedra, corners with two equivalent O(3)Li5V octahedra, corners with two equivalent F(1)Li5V octahedra, edges with two equivalent O(2)Li4V2 octahedra, edges with two equivalent O(1)Li5V octahedra, edges with two equivalent O(3)Li5V octahedra, and edges with three equivalent O(4)Li5V octahedra. The corner-sharing octahedral tilt angles range from 0-20°. is represented by the CIF card [CIF]
data_Li5VO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.137
_cell_length_b   5.137
_cell_length_c   5.815
_cell_angle_alpha   73.651
_cell_angle_beta   73.651
_cell_angle_gamma   46.076
_symmetry_Int_Tables_number   1
_cell_volume   105.223
_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  0.670  0.670  0.111  1.0
  Li  Li1  1  0.696  0.696  0.657  1.0
  Li  Li2  1  0.290  0.290  0.304  1.0
  Li  Li3  1  0.317  0.317  0.855  1.0
  Li  Li4  1  0.986  0.986  0.478  1.0
  V  V5  1  0.977  0.977  0.015  1.0
  O  O6  1  0.133  0.133  0.148  1.0
  O  O7  1  0.491  0.491  0.985  1.0
  O  O8  1  0.826  0.826  0.314  1.0
  O  O9  1  0.854  0.854  0.811  1.0
  F  F10  1  0.160  0.160  0.649  1.0
[/CIF]
.
The material described by Li5VO4F crystallizes in the monoclinic Cm space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form LiO5 trigonal bipyramids that share  a cornercorner with one Li(2)O3F2 square pyramid,  a cornercorner with one Li(3)O4F square pyramid,  a cornercorner with one Li(4)O4F trigonal bipyramid, corners with two equivalent Li(1)O5 trigonal bipyramids, edges with three equivalent V(1)O5F octahedra,  an edgeedge with one Li(2)O3F2 square pyramid, edges with two equivalent Li(3)O4F square pyramids, and edges with two equivalent Li(4)O4F trigonal bipyramids. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(4), and two equivalent F(1) atoms to form distorted LiO3F2 square pyramids that share corners with two equivalent V(1)O5F octahedra,  a cornercorner with one Li(3)O4F square pyramid, corners with two equivalent Li(2)O3F2 square pyramids,  a cornercorner with one Li(4)O4F trigonal bipyramid,  a cornercorner with one Li(1)O5 trigonal bipyramid, edges with two equivalent V(1)O5F octahedra, edges with two equivalent Li(3)O4F square pyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid, and edges with two equivalent Li(4)O4F trigonal bipyramids. The corner-sharing octahedral tilt angles range from 10-11°. In the third Li site, Li(3) is bonded to one O(1), one O(2), two equivalent O(3), and one F(1) atom to form distorted LiO4F square pyramids that share corners with two equivalent V(1)O5F octahedra,  a cornercorner with one Li(2)O3F2 square pyramid, corners with two equivalent Li(3)O4F square pyramids,  a cornercorner with one Li(4)O4F trigonal bipyramid,  a cornercorner with one Li(1)O5 trigonal bipyramid, edges with two equivalent V(1)O5F octahedra, edges with two equivalent Li(2)O3F2 square pyramids,  an edgeedge with one Li(4)O4F trigonal bipyramid, and edges with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 3-10°. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), two equivalent O(4), and one F(1) atom to form LiO4F trigonal bipyramids that share  a cornercorner with one Li(2)O3F2 square pyramid,  a cornercorner with one Li(3)O4F square pyramid,  a cornercorner with one Li(1)O5 trigonal bipyramid, corners with two equivalent Li(4)O4F trigonal bipyramids, edges with three equivalent V(1)O5F octahedra,  an edgeedge with one Li(3)O4F square pyramid, edges with two equivalent Li(2)O3F2 square pyramids, and edges with two equivalent Li(1)O5 trigonal bipyramids. In the fifth Li site, Li(5) is bonded in a rectangular see-saw-like geometry to one O(1), one O(3), one O(4), and one F(1) atom. V(1) is bonded to one O(1), one O(3), one O(4), two equivalent O(2), and one F(1) atom to form VO5F octahedra that share corners with two equivalent V(1)O5F octahedra, corners with two equivalent Li(2)O3F2 square pyramids, corners with two equivalent Li(3)O4F square pyramids, edges with two equivalent Li(2)O3F2 square pyramids, edges with two equivalent Li(3)O4F square pyramids, edges with three equivalent Li(4)O4F trigonal bipyramids, and edges with three equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 11°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Li(4), one Li(5), two equivalent Li(1), and one V(1) atom to form OLi5V octahedra that share corners with two equivalent O(1)Li5V octahedra, corners with two equivalent O(4)Li5V octahedra, edges with two equivalent O(4)Li5V octahedra, edges with two equivalent F(1)Li5V octahedra, edges with three equivalent O(2)Li4V2 octahedra, and edges with three equivalent O(3)Li5V octahedra. The corner-sharing octahedral tilt angles range from 4-20°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), and two equivalent V(1) atoms to form OLi4V2 octahedra that share corners with two equivalent O(2)Li4V2 octahedra, corners with two equivalent O(3)Li5V octahedra, corners with two equivalent F(1)Li5V octahedra, edges with two equivalent O(3)Li5V octahedra, edges with two equivalent F(1)Li5V octahedra, edges with three equivalent O(1)Li5V octahedra, and edges with three equivalent O(4)Li5V octahedra. The corner-sharing octahedral tilt angles range from 11-19°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(5), two equivalent Li(3), and one V(1) atom to form OLi5V octahedra that share corners with two equivalent O(2)Li4V2 octahedra, corners with two equivalent O(3)Li5V octahedra, corners with two equivalent F(1)Li5V octahedra, edges with two equivalent O(2)Li4V2 octahedra, edges with two equivalent O(4)Li5V octahedra, edges with two equivalent F(1)Li5V octahedra, and edges with three equivalent O(1)Li5V octahedra. The corner-sharing octahedral tilt angles range from 0-20°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(5), two equivalent Li(4), and one V(1) atom to form OLi5V octahedra that share corners with two equivalent O(1)Li5V octahedra, corners with two equivalent O(4)Li5V octahedra, edges with two equivalent O(1)Li5V octahedra, edges with two equivalent O(3)Li5V octahedra, edges with three equivalent O(2)Li4V2 octahedra, and edges with three equivalent F(1)Li5V octahedra. The corner-sharing octahedral tilt angles range from 4-21°. F(1) is bonded to one Li(3), one Li(4), one Li(5), two equivalent Li(2), and one V(1) atom to form FLi5V octahedra that share corners with two equivalent O(2)Li4V2 octahedra, corners with two equivalent O(3)Li5V octahedra, corners with two equivalent F(1)Li5V octahedra, edges with two equivalent O(2)Li4V2 octahedra, edges with two equivalent O(1)Li5V octahedra, edges with two equivalent O(3)Li5V octahedra, and edges with three equivalent O(4)Li5V octahedra. The corner-sharing octahedral tilt angles range from 0-20°. is represented by the CIF card [CIF]
data_Li5VO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.137
_cell_length_b   5.137
_cell_length_c   5.815
_cell_angle_alpha   73.651
_cell_angle_beta   73.651
_cell_angle_gamma   46.076
_symmetry_Int_Tables_number   1
_cell_volume   105.223
_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  0.670  0.670  0.111  1.0
  Li  Li1  1  0.696  0.696  0.657  1.0
  Li  Li2  1  0.290  0.290  0.304  1.0
  Li  Li3  1  0.317  0.317  0.855  1.0
  Li  Li4  1  0.986  0.986  0.478  1.0
  V  V5  1  0.977  0.977  0.015  1.0
  O  O6  1  0.133  0.133  0.148  1.0
  O  O7  1  0.491  0.491  0.985  1.0
  O  O8  1  0.826  0.826  0.314  1.0
  O  O9  1  0.854  0.854  0.811  1.0
  F  F10  1  0.160  0.160  0.649  1.0
[/CIF]
.