The structure described by Li2V2O5F2 crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one F(2), and two equivalent F(1) atoms. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one F(1), and one F(2) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(5), two equivalent O(3), and one F(2) atom to form distorted corner-sharing VO5F octahedra. The corner-sharing octahedral tilt angles are 43°. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and one F(2) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(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) and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Li(2) and one V(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(2) and two equivalent Li(1) atoms. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one V(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   7.063
_cell_length_b   7.063
_cell_length_c   6.880
_cell_angle_alpha   63.303
_cell_angle_beta   63.303
_cell_angle_gamma   61.928
_symmetry_Int_Tables_number   1
_cell_volume   257.971
_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  0.407  0.440  0.578  1.0
  Li  Li1  1  0.027  0.565  0.953  1.0
  Li  Li2  1  0.440  0.407  0.078  1.0
  Li  Li3  1  0.565  0.027  0.453  1.0
  V  V4  1  0.012  0.031  0.973  1.0
  V  V5  1  0.948  0.533  0.522  1.0
  V  V6  1  0.031  0.012  0.473  1.0
  V  V7  1  0.533  0.948  0.022  1.0
  O  O8  1  0.064  0.671  0.572  1.0
  O  O9  1  0.314  0.945  0.314  1.0
  O  O10  1  0.054  0.909  0.770  1.0
  O  O11  1  0.680  0.686  0.562  1.0
  O  O12  1  0.671  0.064  0.072  1.0
  O  O13  1  0.945  0.314  0.814  1.0
  O  O14  1  0.292  0.962  0.943  1.0
  O  O15  1  0.909  0.054  0.270  1.0
  O  O16  1  0.686  0.680  0.062  1.0
  O  O17  1  0.962  0.292  0.443  1.0
  F  F18  1  0.329  0.377  0.895  1.0
  F  F19  1  0.055  0.656  0.189  1.0
  F  F20  1  0.377  0.329  0.395  1.0
  F  F21  1  0.656  0.055  0.689  1.0
[/CIF]
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The structure described by Li2V2O5F2 crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one F(2), and two equivalent F(1) atoms. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one F(1), and one F(2) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(5), two equivalent O(3), and one F(2) atom to form distorted corner-sharing VO5F octahedra. The corner-sharing octahedral tilt angles are 43°. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and one F(2) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(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) and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Li(2) and one V(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(2) and two equivalent Li(1) atoms. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one V(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   7.063
_cell_length_b   7.063
_cell_length_c   6.880
_cell_angle_alpha   63.303
_cell_angle_beta   63.303
_cell_angle_gamma   61.928
_symmetry_Int_Tables_number   1
_cell_volume   257.971
_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  0.407  0.440  0.578  1.0
  Li  Li1  1  0.027  0.565  0.953  1.0
  Li  Li2  1  0.440  0.407  0.078  1.0
  Li  Li3  1  0.565  0.027  0.453  1.0
  V  V4  1  0.012  0.031  0.973  1.0
  V  V5  1  0.948  0.533  0.522  1.0
  V  V6  1  0.031  0.012  0.473  1.0
  V  V7  1  0.533  0.948  0.022  1.0
  O  O8  1  0.064  0.671  0.572  1.0
  O  O9  1  0.314  0.945  0.314  1.0
  O  O10  1  0.054  0.909  0.770  1.0
  O  O11  1  0.680  0.686  0.562  1.0
  O  O12  1  0.671  0.064  0.072  1.0
  O  O13  1  0.945  0.314  0.814  1.0
  O  O14  1  0.292  0.962  0.943  1.0
  O  O15  1  0.909  0.054  0.270  1.0
  O  O16  1  0.686  0.680  0.062  1.0
  O  O17  1  0.962  0.292  0.443  1.0
  F  F18  1  0.329  0.377  0.895  1.0
  F  F19  1  0.055  0.656  0.189  1.0
  F  F20  1  0.377  0.329  0.395  1.0
  F  F21  1  0.656  0.055  0.689  1.0
[/CIF]
.