The crystal structure described by Li2V2O5F2 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(4), one F(1), and one F(2) atom to form distorted LiO2F2 tetrahedra that share  a cornercorner with one V(1)O4F trigonal bipyramid and corners with four equivalent V(2)O4F trigonal bipyramids. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(3), one O(5), two equivalent O(1), and one F(1) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(5), two equivalent O(1), and one F(1) atom to form distorted VO4F trigonal bipyramids that share  a cornercorner with one Li(1)O2F2 tetrahedra,  a cornercorner with one V(2)O4F trigonal bipyramid, and  an edgeedge with one V(1)O4F trigonal bipyramid. In the second V site, V(2) is bonded to one O(2), one O(3), two equivalent O(4), and one F(2) atom to form VO4F trigonal bipyramids that share corners with four equivalent Li(1)O2F2 tetrahedra,  a cornercorner with one V(1)O4F trigonal bipyramid, and  an edgeedge with one V(2)O4F trigonal bipyramid. There are five inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Li(2) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one V(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one V(1), and one V(2) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(1) and two equivalent V(2) atoms. In the fifth O site, O(5) is bonded in a linear geometry to one Li(2) and one V(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one V(1) atom. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one V(2) atom. is represented by the CIF file [CIF]
data_Li2V2O5F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.637
_cell_length_b   5.990
_cell_length_c   10.132
_cell_angle_alpha   104.471
_cell_angle_beta   88.998
_cell_angle_gamma   111.869
_symmetry_Int_Tables_number   1
_cell_volume   306.288
_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  0.924  0.189  0.395  1.0
  Li  Li1  1  0.117  0.269  0.084  1.0
  Li  Li2  1  0.883  0.731  0.916  1.0
  Li  Li3  1  0.076  0.811  0.605  1.0
  V  V4  1  0.600  0.243  0.094  1.0
  V  V5  1  0.531  0.393  0.605  1.0
  V  V6  1  0.469  0.607  0.395  1.0
  V  V7  1  0.400  0.757  0.906  1.0
  O  O8  1  0.704  0.970  0.005  1.0
  O  O9  1  0.767  0.296  0.568  1.0
  O  O10  1  0.433  0.380  0.224  1.0
  O  O11  1  0.307  0.305  0.461  1.0
  O  O12  1  0.743  0.458  0.014  1.0
  O  O13  1  0.257  0.542  0.986  1.0
  O  O14  1  0.693  0.695  0.539  1.0
  O  O15  1  0.567  0.620  0.776  1.0
  O  O16  1  0.233  0.704  0.432  1.0
  O  O17  1  0.296  0.030  0.995  1.0
  F  F18  1  0.874  0.297  0.226  1.0
  F  F19  1  0.313  0.141  0.679  1.0
  F  F20  1  0.687  0.859  0.321  1.0
  F  F21  1  0.126  0.703  0.774  1.0
[/CIF]
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The crystal structure described by Li2V2O5F2 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(4), one F(1), and one F(2) atom to form distorted LiO2F2 tetrahedra that share  a cornercorner with one V(1)O4F trigonal bipyramid and corners with four equivalent V(2)O4F trigonal bipyramids. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(3), one O(5), two equivalent O(1), and one F(1) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(5), two equivalent O(1), and one F(1) atom to form distorted VO4F trigonal bipyramids that share  a cornercorner with one Li(1)O2F2 tetrahedra,  a cornercorner with one V(2)O4F trigonal bipyramid, and  an edgeedge with one V(1)O4F trigonal bipyramid. In the second V site, V(2) is bonded to one O(2), one O(3), two equivalent O(4), and one F(2) atom to form VO4F trigonal bipyramids that share corners with four equivalent Li(1)O2F2 tetrahedra,  a cornercorner with one V(1)O4F trigonal bipyramid, and  an edgeedge with one V(2)O4F trigonal bipyramid. There are five inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Li(2) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one V(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one V(1), and one V(2) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(1) and two equivalent V(2) atoms. In the fifth O site, O(5) is bonded in a linear geometry to one Li(2) and one V(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one V(1) atom. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one V(2) atom. is represented by the CIF file [CIF]
data_Li2V2O5F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.637
_cell_length_b   5.990
_cell_length_c   10.132
_cell_angle_alpha   104.471
_cell_angle_beta   88.998
_cell_angle_gamma   111.869
_symmetry_Int_Tables_number   1
_cell_volume   306.288
_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  0.924  0.189  0.395  1.0
  Li  Li1  1  0.117  0.269  0.084  1.0
  Li  Li2  1  0.883  0.731  0.916  1.0
  Li  Li3  1  0.076  0.811  0.605  1.0
  V  V4  1  0.600  0.243  0.094  1.0
  V  V5  1  0.531  0.393  0.605  1.0
  V  V6  1  0.469  0.607  0.395  1.0
  V  V7  1  0.400  0.757  0.906  1.0
  O  O8  1  0.704  0.970  0.005  1.0
  O  O9  1  0.767  0.296  0.568  1.0
  O  O10  1  0.433  0.380  0.224  1.0
  O  O11  1  0.307  0.305  0.461  1.0
  O  O12  1  0.743  0.458  0.014  1.0
  O  O13  1  0.257  0.542  0.986  1.0
  O  O14  1  0.693  0.695  0.539  1.0
  O  O15  1  0.567  0.620  0.776  1.0
  O  O16  1  0.233  0.704  0.432  1.0
  O  O17  1  0.296  0.030  0.995  1.0
  F  F18  1  0.874  0.297  0.226  1.0
  F  F19  1  0.313  0.141  0.679  1.0
  F  F20  1  0.687  0.859  0.321  1.0
  F  F21  1  0.126  0.703  0.774  1.0
[/CIF]
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