The crystal structure described by V3O5F3 crystallizes in the monoclinic Cc space group. There are three inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), two equivalent O(4), and two equivalent F(1) atoms. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one F(2) atom to form corner-sharing VO5F octahedra. The corner-sharing octahedral tilt angles range from 30-56°. In the third V site, V(3) is bonded to one O(1), two equivalent O(5), one F(2), and two equivalent F(3) atoms to form distorted VO3F3 octahedra that share corners with four equivalent V(2)O5F octahedra and edges with two equivalent V(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 30-56°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) 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 bent 150 degrees geometry to one V(1) and one V(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent V(1) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent V(3) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to two equivalent V(1) atoms. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the third F site, F(3) is bonded in a water-like geometry to two equivalent V(3) atoms. is represented by the CIF card [CIF]
data_V3O5F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.267
_cell_length_b   7.267
_cell_length_c   5.016
_cell_angle_alpha   89.638
_cell_angle_beta   89.638
_cell_angle_gamma   102.644
_symmetry_Int_Tables_number   1
_cell_volume   258.456
_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
  V  V0  1  0.349  0.171  0.278  1.0
  V  V1  1  0.679  0.319  0.764  1.0
  V  V2  1  0.171  0.349  0.778  1.0
  V  V3  1  0.829  0.669  0.210  1.0
  V  V4  1  0.319  0.679  0.264  1.0
  V  V5  1  0.669  0.829  0.710  1.0
  O  O6  1  0.673  0.061  0.642  1.0
  O  O7  1  0.550  0.214  0.081  1.0
  O  O8  1  0.936  0.327  0.864  1.0
  O  O9  1  0.431  0.295  0.592  1.0
  O  O10  1  0.295  0.431  0.092  1.0
  O  O11  1  0.695  0.570  0.891  1.0
  O  O12  1  0.214  0.550  0.581  1.0
  O  O13  1  0.570  0.695  0.391  1.0
  O  O14  1  0.061  0.673  0.142  1.0
  O  O15  1  0.327  0.936  0.364  1.0
  F  F16  1  0.188  0.104  0.960  1.0
  F  F17  1  0.104  0.188  0.460  1.0
  F  F18  1  0.786  0.431  0.421  1.0
  F  F19  1  0.906  0.813  0.545  1.0
  F  F20  1  0.431  0.786  0.921  1.0
  F  F21  1  0.813  0.906  0.045  1.0
[/CIF]
.
The crystal structure described by V3O5F3 crystallizes in the monoclinic Cc space group. There are three inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), two equivalent O(4), and two equivalent F(1) atoms. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one F(2) atom to form corner-sharing VO5F octahedra. The corner-sharing octahedral tilt angles range from 30-56°. In the third V site, V(3) is bonded to one O(1), two equivalent O(5), one F(2), and two equivalent F(3) atoms to form distorted VO3F3 octahedra that share corners with four equivalent V(2)O5F octahedra and edges with two equivalent V(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 30-56°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) 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 bent 150 degrees geometry to one V(1) and one V(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent V(1) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent V(3) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to two equivalent V(1) atoms. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the third F site, F(3) is bonded in a water-like geometry to two equivalent V(3) atoms. is represented by the CIF card [CIF]
data_V3O5F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.267
_cell_length_b   7.267
_cell_length_c   5.016
_cell_angle_alpha   89.638
_cell_angle_beta   89.638
_cell_angle_gamma   102.644
_symmetry_Int_Tables_number   1
_cell_volume   258.456
_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
  V  V0  1  0.349  0.171  0.278  1.0
  V  V1  1  0.679  0.319  0.764  1.0
  V  V2  1  0.171  0.349  0.778  1.0
  V  V3  1  0.829  0.669  0.210  1.0
  V  V4  1  0.319  0.679  0.264  1.0
  V  V5  1  0.669  0.829  0.710  1.0
  O  O6  1  0.673  0.061  0.642  1.0
  O  O7  1  0.550  0.214  0.081  1.0
  O  O8  1  0.936  0.327  0.864  1.0
  O  O9  1  0.431  0.295  0.592  1.0
  O  O10  1  0.295  0.431  0.092  1.0
  O  O11  1  0.695  0.570  0.891  1.0
  O  O12  1  0.214  0.550  0.581  1.0
  O  O13  1  0.570  0.695  0.391  1.0
  O  O14  1  0.061  0.673  0.142  1.0
  O  O15  1  0.327  0.936  0.364  1.0
  F  F16  1  0.188  0.104  0.960  1.0
  F  F17  1  0.104  0.188  0.460  1.0
  F  F18  1  0.786  0.431  0.421  1.0
  F  F19  1  0.906  0.813  0.545  1.0
  F  F20  1  0.431  0.786  0.921  1.0
  F  F21  1  0.813  0.906  0.045  1.0
[/CIF]
.