The material described by Li5VO3F2 crystallizes in the triclinic P1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a square co-planar geometry to one O(2), one O(3), one F(1), and one F(2) atom. In the second Li site, Li(2) is bonded to one O(1), one O(3), two equivalent O(2), and one F(2) atom to form LiO4F trigonal bipyramids that share  a cornercorner with one Li(4)O2F3 trigonal bipyramid,  a cornercorner with one Li(5)O2F3 trigonal bipyramid,  a cornercorner with one Li(3)O4F trigonal bipyramid, corners with two equivalent Li(2)O4F trigonal bipyramids, edges with three equivalent V(1)O4F2 octahedra,  an edgeedge with one Li(4)O2F3 trigonal bipyramid, edges with two equivalent Li(5)O2F3 trigonal bipyramids, and edges with two equivalent Li(3)O4F trigonal bipyramids. 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 trigonal bipyramids that share  a cornercorner with one Li(4)O2F3 trigonal bipyramid,  a cornercorner with one Li(5)O2F3 trigonal bipyramid,  a cornercorner with one Li(2)O4F trigonal bipyramid, corners with two equivalent Li(3)O4F trigonal bipyramids, edges with three equivalent V(1)O4F2 octahedra,  an edgeedge with one Li(5)O2F3 trigonal bipyramid, edges with two equivalent Li(4)O2F3 trigonal bipyramids, and edges with two equivalent Li(2)O4F trigonal bipyramids. In the fourth Li site, Li(4) is bonded to one O(1), one O(3), one F(2), and two equivalent F(1) atoms to form distorted LiO2F3 trigonal bipyramids that share corners with two equivalent V(1)O4F2 octahedra,  a cornercorner with one Li(5)O2F3 trigonal bipyramid,  a cornercorner with one Li(2)O4F trigonal bipyramid,  a cornercorner with one Li(3)O4F trigonal bipyramid, corners with two equivalent Li(4)O2F3 trigonal bipyramids, edges with two equivalent V(1)O4F2 octahedra,  an edgeedge with one Li(2)O4F trigonal bipyramid, edges with two equivalent Li(5)O2F3 trigonal bipyramids, and edges with two equivalent Li(3)O4F trigonal bipyramids. The corner-sharing octahedral tilt angles range from 8-15°. In the fifth Li site, Li(5) is bonded to one O(1), one O(2), one F(1), and two equivalent F(2) atoms to form distorted LiO2F3 trigonal bipyramids that share corners with two equivalent V(1)O4F2 octahedra,  a cornercorner with one Li(4)O2F3 trigonal bipyramid,  a cornercorner with one Li(2)O4F trigonal bipyramid,  a cornercorner with one Li(3)O4F trigonal bipyramid, corners with two equivalent Li(5)O2F3 trigonal bipyramids, edges with two equivalent V(1)O4F2 octahedra,  an edgeedge with one Li(3)O4F trigonal bipyramid, edges with two equivalent Li(4)O2F3 trigonal bipyramids, and edges with two equivalent Li(2)O4F trigonal bipyramids. The corner-sharing octahedral tilt angles range from 8-14°. V(1) is bonded to one O(2), one O(3), two equivalent O(1), one F(1), and one F(2) atom to form VO4F2 octahedra that share corners with two equivalent V(1)O4F2 octahedra, corners with two equivalent Li(4)O2F3 trigonal bipyramids, corners with two equivalent Li(5)O2F3 trigonal bipyramids, edges with two equivalent Li(4)O2F3 trigonal bipyramids, edges with two equivalent Li(5)O2F3 trigonal bipyramids, edges with three equivalent Li(2)O4F trigonal bipyramids, and edges with three equivalent Li(3)O4F trigonal bipyramids. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Li(4), one Li(5), and two equivalent V(1) atoms to form OLi4V2 octahedra that share corners with two equivalent O(1)Li4V2 octahedra, corners with two equivalent F(1)Li5V octahedra, corners with two equivalent F(2)Li5V octahedra, edges with two equivalent F(1)Li5V octahedra, edges with two equivalent F(2)Li5V octahedra, edges with three equivalent O(2)Li5V octahedra, and edges with three equivalent O(3)Li5V octahedra. The corner-sharing octahedral tilt angles range from 0-26°. In the second O site, O(2) is bonded to one Li(1), one Li(3), one Li(5), two equivalent Li(2), and one V(1) atom to form OLi5V octahedra that share corners with two equivalent O(2)Li5V octahedra, corners with two equivalent O(3)Li5V octahedra, edges with two equivalent O(3)Li5V octahedra, edges with two equivalent F(1)Li5V octahedra, edges with three equivalent O(1)Li4V2 octahedra, and edges with three equivalent F(2)Li5V octahedra. The corner-sharing octahedral tilt angles range from 0-21°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(4), two equivalent Li(3), and one V(1) atom to form OLi5V octahedra that share corners with two equivalent O(2)Li5V octahedra, corners with two equivalent O(3)Li5V octahedra, edges with two equivalent O(2)Li5V octahedra, edges with two equivalent F(2)Li5V octahedra, edges with three equivalent O(1)Li4V2 octahedra, and edges with three equivalent F(1)Li5V octahedra. The corner-sharing octahedral tilt angles range from 0-21°. There are two inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Li(3), one Li(5), two equivalent Li(4), and one V(1) atom to form FLi5V octahedra that share corners with two equivalent O(1)Li4V2 octahedra, corners with two equivalent F(1)Li5V octahedra, corners with two equivalent F(2)Li5V octahedra, edges with two equivalent O(1)Li4V2 octahedra, edges with two equivalent O(2)Li5V octahedra, edges with two equivalent F(2)Li5V octahedra, and edges with three equivalent O(3)Li5V octahedra. The corner-sharing octahedral tilt angles range from 0-25°. In the second F site, F(2) is bonded to one Li(1), one Li(2), one Li(4), two equivalent Li(5), and one V(1) atom to form FLi5V octahedra that share corners with two equivalent O(1)Li4V2 octahedra, corners with two equivalent F(1)Li5V octahedra, corners with two equivalent F(2)Li5V octahedra, edges with two equivalent O(1)Li4V2 octahedra, edges with two equivalent O(3)Li5V octahedra, edges with two equivalent F(1)Li5V octahedra, and edges with three equivalent O(2)Li5V octahedra. The corner-sharing octahedral tilt angles range from 0-26°. is represented by the CIF file [CIF]
data_Li5VO3F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.014
_cell_length_b   5.235
_cell_length_c   5.972
_cell_angle_alpha   109.539
_cell_angle_beta   89.986
_cell_angle_gamma   112.546
_symmetry_Int_Tables_number   1
_cell_volume   108.028
_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
  F  F0  1  0.172  0.347  0.342  1.0
  F  F1  1  0.822  0.646  0.658  1.0
  Li  Li2  1  0.001  0.001  0.498  1.0
  Li  Li3  1  0.670  0.342  0.880  1.0
  Li  Li4  1  0.326  0.654  0.119  1.0
  Li  Li5  1  0.702  0.406  0.308  1.0
  Li  Li6  1  0.294  0.590  0.692  1.0
  O  O7  1  0.497  0.997  0.999  1.0
  O  O8  1  0.138  0.279  0.820  1.0
  O  O9  1  0.857  0.716  0.179  1.0
  V  V10  1  0.997  0.997  0.999  1.0
[/CIF]
.
The material described by Li5VO3F2 crystallizes in the triclinic P1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a square co-planar geometry to one O(2), one O(3), one F(1), and one F(2) atom. In the second Li site, Li(2) is bonded to one O(1), one O(3), two equivalent O(2), and one F(2) atom to form LiO4F trigonal bipyramids that share  a cornercorner with one Li(4)O2F3 trigonal bipyramid,  a cornercorner with one Li(5)O2F3 trigonal bipyramid,  a cornercorner with one Li(3)O4F trigonal bipyramid, corners with two equivalent Li(2)O4F trigonal bipyramids, edges with three equivalent V(1)O4F2 octahedra,  an edgeedge with one Li(4)O2F3 trigonal bipyramid, edges with two equivalent Li(5)O2F3 trigonal bipyramids, and edges with two equivalent Li(3)O4F trigonal bipyramids. 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 trigonal bipyramids that share  a cornercorner with one Li(4)O2F3 trigonal bipyramid,  a cornercorner with one Li(5)O2F3 trigonal bipyramid,  a cornercorner with one Li(2)O4F trigonal bipyramid, corners with two equivalent Li(3)O4F trigonal bipyramids, edges with three equivalent V(1)O4F2 octahedra,  an edgeedge with one Li(5)O2F3 trigonal bipyramid, edges with two equivalent Li(4)O2F3 trigonal bipyramids, and edges with two equivalent Li(2)O4F trigonal bipyramids. In the fourth Li site, Li(4) is bonded to one O(1), one O(3), one F(2), and two equivalent F(1) atoms to form distorted LiO2F3 trigonal bipyramids that share corners with two equivalent V(1)O4F2 octahedra,  a cornercorner with one Li(5)O2F3 trigonal bipyramid,  a cornercorner with one Li(2)O4F trigonal bipyramid,  a cornercorner with one Li(3)O4F trigonal bipyramid, corners with two equivalent Li(4)O2F3 trigonal bipyramids, edges with two equivalent V(1)O4F2 octahedra,  an edgeedge with one Li(2)O4F trigonal bipyramid, edges with two equivalent Li(5)O2F3 trigonal bipyramids, and edges with two equivalent Li(3)O4F trigonal bipyramids. The corner-sharing octahedral tilt angles range from 8-15°. In the fifth Li site, Li(5) is bonded to one O(1), one O(2), one F(1), and two equivalent F(2) atoms to form distorted LiO2F3 trigonal bipyramids that share corners with two equivalent V(1)O4F2 octahedra,  a cornercorner with one Li(4)O2F3 trigonal bipyramid,  a cornercorner with one Li(2)O4F trigonal bipyramid,  a cornercorner with one Li(3)O4F trigonal bipyramid, corners with two equivalent Li(5)O2F3 trigonal bipyramids, edges with two equivalent V(1)O4F2 octahedra,  an edgeedge with one Li(3)O4F trigonal bipyramid, edges with two equivalent Li(4)O2F3 trigonal bipyramids, and edges with two equivalent Li(2)O4F trigonal bipyramids. The corner-sharing octahedral tilt angles range from 8-14°. V(1) is bonded to one O(2), one O(3), two equivalent O(1), one F(1), and one F(2) atom to form VO4F2 octahedra that share corners with two equivalent V(1)O4F2 octahedra, corners with two equivalent Li(4)O2F3 trigonal bipyramids, corners with two equivalent Li(5)O2F3 trigonal bipyramids, edges with two equivalent Li(4)O2F3 trigonal bipyramids, edges with two equivalent Li(5)O2F3 trigonal bipyramids, edges with three equivalent Li(2)O4F trigonal bipyramids, and edges with three equivalent Li(3)O4F trigonal bipyramids. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Li(4), one Li(5), and two equivalent V(1) atoms to form OLi4V2 octahedra that share corners with two equivalent O(1)Li4V2 octahedra, corners with two equivalent F(1)Li5V octahedra, corners with two equivalent F(2)Li5V octahedra, edges with two equivalent F(1)Li5V octahedra, edges with two equivalent F(2)Li5V octahedra, edges with three equivalent O(2)Li5V octahedra, and edges with three equivalent O(3)Li5V octahedra. The corner-sharing octahedral tilt angles range from 0-26°. In the second O site, O(2) is bonded to one Li(1), one Li(3), one Li(5), two equivalent Li(2), and one V(1) atom to form OLi5V octahedra that share corners with two equivalent O(2)Li5V octahedra, corners with two equivalent O(3)Li5V octahedra, edges with two equivalent O(3)Li5V octahedra, edges with two equivalent F(1)Li5V octahedra, edges with three equivalent O(1)Li4V2 octahedra, and edges with three equivalent F(2)Li5V octahedra. The corner-sharing octahedral tilt angles range from 0-21°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(4), two equivalent Li(3), and one V(1) atom to form OLi5V octahedra that share corners with two equivalent O(2)Li5V octahedra, corners with two equivalent O(3)Li5V octahedra, edges with two equivalent O(2)Li5V octahedra, edges with two equivalent F(2)Li5V octahedra, edges with three equivalent O(1)Li4V2 octahedra, and edges with three equivalent F(1)Li5V octahedra. The corner-sharing octahedral tilt angles range from 0-21°. There are two inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Li(3), one Li(5), two equivalent Li(4), and one V(1) atom to form FLi5V octahedra that share corners with two equivalent O(1)Li4V2 octahedra, corners with two equivalent F(1)Li5V octahedra, corners with two equivalent F(2)Li5V octahedra, edges with two equivalent O(1)Li4V2 octahedra, edges with two equivalent O(2)Li5V octahedra, edges with two equivalent F(2)Li5V octahedra, and edges with three equivalent O(3)Li5V octahedra. The corner-sharing octahedral tilt angles range from 0-25°. In the second F site, F(2) is bonded to one Li(1), one Li(2), one Li(4), two equivalent Li(5), and one V(1) atom to form FLi5V octahedra that share corners with two equivalent O(1)Li4V2 octahedra, corners with two equivalent F(1)Li5V octahedra, corners with two equivalent F(2)Li5V octahedra, edges with two equivalent O(1)Li4V2 octahedra, edges with two equivalent O(3)Li5V octahedra, edges with two equivalent F(1)Li5V octahedra, and edges with three equivalent O(2)Li5V octahedra. The corner-sharing octahedral tilt angles range from 0-26°. is represented by the CIF file [CIF]
data_Li5VO3F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.014
_cell_length_b   5.235
_cell_length_c   5.972
_cell_angle_alpha   109.539
_cell_angle_beta   89.986
_cell_angle_gamma   112.546
_symmetry_Int_Tables_number   1
_cell_volume   108.028
_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
  F  F0  1  0.172  0.347  0.342  1.0
  F  F1  1  0.822  0.646  0.658  1.0
  Li  Li2  1  0.001  0.001  0.498  1.0
  Li  Li3  1  0.670  0.342  0.880  1.0
  Li  Li4  1  0.326  0.654  0.119  1.0
  Li  Li5  1  0.702  0.406  0.308  1.0
  Li  Li6  1  0.294  0.590  0.692  1.0
  O  O7  1  0.497  0.997  0.999  1.0
  O  O8  1  0.138  0.279  0.820  1.0
  O  O9  1  0.857  0.716  0.179  1.0
  V  V10  1  0.997  0.997  0.999  1.0
[/CIF]
.