The material structure described by Li3VO3F2 crystallizes in the monoclinic Cc space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one F(1), and one F(2) atom to form LiO3F2 trigonal bipyramids that share  a cornercorner with one Li(2)O3F2 trigonal bipyramid, corners with three equivalent Li(3)O3F2 trigonal bipyramids, corners with three equivalent V(1)O3F2 trigonal bipyramids,  an edgeedge with one Li(3)O3F2 trigonal bipyramid,  an edgeedge with one V(1)O3F2 trigonal bipyramid, and edges with two equivalent Li(2)O3F2 trigonal bipyramids. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one F(1), and one F(2) atom to form LiO3F2 trigonal bipyramids that share  a cornercorner with one Li(1)O3F2 trigonal bipyramid,  a cornercorner with one Li(3)O3F2 trigonal bipyramid, corners with three equivalent V(1)O3F2 trigonal bipyramids,  an edgeedge with one V(1)O3F2 trigonal bipyramid, edges with two equivalent Li(1)O3F2 trigonal bipyramids, and edges with two equivalent Li(3)O3F2 trigonal bipyramids. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(3), one F(1), and one F(2) atom to form LiO3F2 trigonal bipyramids that share  a cornercorner with one Li(2)O3F2 trigonal bipyramid,  a cornercorner with one V(1)O3F2 trigonal bipyramid, corners with three equivalent Li(1)O3F2 trigonal bipyramids,  an edgeedge with one Li(1)O3F2 trigonal bipyramid, edges with two equivalent Li(2)O3F2 trigonal bipyramids, and edges with two equivalent V(1)O3F2 trigonal bipyramids. V(1) is bonded to one O(1), one O(2), one O(3), one F(1), and one F(2) atom to form VO3F2 trigonal bipyramids that share  a cornercorner with one Li(3)O3F2 trigonal bipyramid, corners with three equivalent Li(1)O3F2 trigonal bipyramids, corners with three equivalent Li(2)O3F2 trigonal bipyramids,  an edgeedge with one Li(1)O3F2 trigonal bipyramid,  an edgeedge with one Li(2)O3F2 trigonal bipyramid, and edges with two equivalent Li(3)O3F2 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), and one V(1) atom to form a mixture of corner and edge-sharing OLi3V trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), and one V(1) atom to form a mixture of corner and edge-sharing OLi3V trigonal pyramids. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one Li(3), and one V(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a see-saw-like geometry to one Li(1), one Li(2), one Li(3), and one V(1) atom. In the second F site, F(2) is bonded in a see-saw-like geometry to one Li(1), one Li(2), one Li(3), and one V(1) atom. is represented by the CIF card [CIF]
data_Li3VO3F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.371
_cell_length_b   5.371
_cell_length_c   8.069
_cell_angle_alpha   83.704
_cell_angle_beta   83.704
_cell_angle_gamma   64.716
_symmetry_Int_Tables_number   1
_cell_volume   208.650
_cell_formula_units_Z   2
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  0.572  0.245  0.436  1.0
  Li  Li1  1  0.784  0.427  0.068  1.0
  Li  Li2  1  0.245  0.572  0.936  1.0
  Li  Li3  1  0.427  0.784  0.568  1.0
  Li  Li4  1  0.972  0.623  0.631  1.0
  Li  Li5  1  0.623  0.972  0.131  1.0
  V  V6  1  0.828  0.169  0.754  1.0
  V  V7  1  0.169  0.828  0.254  1.0
  O  O8  1  0.862  0.121  0.247  1.0
  O  O9  1  0.601  0.228  0.928  1.0
  O  O10  1  0.228  0.601  0.428  1.0
  O  O11  1  0.748  0.414  0.587  1.0
  O  O12  1  0.414  0.748  0.087  1.0
  O  O13  1  0.121  0.862  0.747  1.0
  F  F14  1  0.377  0.009  0.347  1.0
  F  F15  1  0.009  0.377  0.847  1.0
  F  F16  1  0.981  0.643  0.136  1.0
  F  F17  1  0.643  0.981  0.636  1.0
[/CIF]
.
The material structure described by Li3VO3F2 crystallizes in the monoclinic Cc space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one F(1), and one F(2) atom to form LiO3F2 trigonal bipyramids that share  a cornercorner with one Li(2)O3F2 trigonal bipyramid, corners with three equivalent Li(3)O3F2 trigonal bipyramids, corners with three equivalent V(1)O3F2 trigonal bipyramids,  an edgeedge with one Li(3)O3F2 trigonal bipyramid,  an edgeedge with one V(1)O3F2 trigonal bipyramid, and edges with two equivalent Li(2)O3F2 trigonal bipyramids. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one F(1), and one F(2) atom to form LiO3F2 trigonal bipyramids that share  a cornercorner with one Li(1)O3F2 trigonal bipyramid,  a cornercorner with one Li(3)O3F2 trigonal bipyramid, corners with three equivalent V(1)O3F2 trigonal bipyramids,  an edgeedge with one V(1)O3F2 trigonal bipyramid, edges with two equivalent Li(1)O3F2 trigonal bipyramids, and edges with two equivalent Li(3)O3F2 trigonal bipyramids. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(3), one F(1), and one F(2) atom to form LiO3F2 trigonal bipyramids that share  a cornercorner with one Li(2)O3F2 trigonal bipyramid,  a cornercorner with one V(1)O3F2 trigonal bipyramid, corners with three equivalent Li(1)O3F2 trigonal bipyramids,  an edgeedge with one Li(1)O3F2 trigonal bipyramid, edges with two equivalent Li(2)O3F2 trigonal bipyramids, and edges with two equivalent V(1)O3F2 trigonal bipyramids. V(1) is bonded to one O(1), one O(2), one O(3), one F(1), and one F(2) atom to form VO3F2 trigonal bipyramids that share  a cornercorner with one Li(3)O3F2 trigonal bipyramid, corners with three equivalent Li(1)O3F2 trigonal bipyramids, corners with three equivalent Li(2)O3F2 trigonal bipyramids,  an edgeedge with one Li(1)O3F2 trigonal bipyramid,  an edgeedge with one Li(2)O3F2 trigonal bipyramid, and edges with two equivalent Li(3)O3F2 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), and one V(1) atom to form a mixture of corner and edge-sharing OLi3V trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), and one V(1) atom to form a mixture of corner and edge-sharing OLi3V trigonal pyramids. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one Li(3), and one V(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a see-saw-like geometry to one Li(1), one Li(2), one Li(3), and one V(1) atom. In the second F site, F(2) is bonded in a see-saw-like geometry to one Li(1), one Li(2), one Li(3), and one V(1) atom. is represented by the CIF card [CIF]
data_Li3VO3F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.371
_cell_length_b   5.371
_cell_length_c   8.069
_cell_angle_alpha   83.704
_cell_angle_beta   83.704
_cell_angle_gamma   64.716
_symmetry_Int_Tables_number   1
_cell_volume   208.650
_cell_formula_units_Z   2
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  0.572  0.245  0.436  1.0
  Li  Li1  1  0.784  0.427  0.068  1.0
  Li  Li2  1  0.245  0.572  0.936  1.0
  Li  Li3  1  0.427  0.784  0.568  1.0
  Li  Li4  1  0.972  0.623  0.631  1.0
  Li  Li5  1  0.623  0.972  0.131  1.0
  V  V6  1  0.828  0.169  0.754  1.0
  V  V7  1  0.169  0.828  0.254  1.0
  O  O8  1  0.862  0.121  0.247  1.0
  O  O9  1  0.601  0.228  0.928  1.0
  O  O10  1  0.228  0.601  0.428  1.0
  O  O11  1  0.748  0.414  0.587  1.0
  O  O12  1  0.414  0.748  0.087  1.0
  O  O13  1  0.121  0.862  0.747  1.0
  F  F14  1  0.377  0.009  0.347  1.0
  F  F15  1  0.009  0.377  0.847  1.0
  F  F16  1  0.981  0.643  0.136  1.0
  F  F17  1  0.643  0.981  0.636  1.0
[/CIF]
.