The crystal structure described by V4O7F5 crystallizes in the triclinic P1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), one O(6), one F(2), one F(3), and one F(4) atom. In the second V site, V(2) is bonded to one O(3), one O(4), one O(5), one F(1), one F(3), and one F(5) atom to form distorted corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 10-28°. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(6), one O(7), one F(2), and one F(4) atom. In the fourth V site, V(4) is bonded to one O(1), one O(3), one O(5), one O(7), one F(1), and one F(5) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 10-28°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(3) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one V(2) and one V(4) atom. In the fourth O site, O(4) is bonded in a linear geometry to one V(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one V(2) and one V(4) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one V(1) and one V(3) atom. In the seventh O site, O(7) is bonded in a linear geometry to one V(3) and one V(4) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the fourth F site, F(4) is bonded in a linear geometry to one V(1) and one V(3) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. is represented by the CIF file [CIF]
data_V4O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.349
_cell_length_b   7.389
_cell_length_c   5.421
_cell_angle_alpha   90.480
_cell_angle_beta   90.454
_cell_angle_gamma   90.744
_symmetry_Int_Tables_number   1
_cell_volume   214.233
_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
  V  V0  1  0.536  0.489  0.464  1.0
  V  V1  1  0.526  1.000  0.531  1.0
  V  V2  1  0.016  0.475  0.960  1.0
  V  V3  1  0.028  0.980  0.037  1.0
  O  O4  1  0.937  0.256  0.009  1.0
  O  O5  1  0.764  0.544  0.274  1.0
  O  O6  1  0.760  0.980  0.731  1.0
  O  O7  1  0.560  0.263  0.486  1.0
  O  O8  1  0.223  0.026  0.273  1.0
  O  O9  1  0.211  0.466  0.727  1.0
  O  O10  1  0.050  0.754  0.999  1.0
  F  F11  1  0.722  0.963  0.224  1.0
  F  F12  1  0.715  0.538  0.772  1.0
  F  F13  1  0.420  0.744  0.513  1.0
  F  F14  1  0.271  0.478  0.221  1.0
  F  F15  1  0.260  0.043  0.779  1.0
[/CIF]
.
The crystal structure described by V4O7F5 crystallizes in the triclinic P1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), one O(6), one F(2), one F(3), and one F(4) atom. In the second V site, V(2) is bonded to one O(3), one O(4), one O(5), one F(1), one F(3), and one F(5) atom to form distorted corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 10-28°. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(6), one O(7), one F(2), and one F(4) atom. In the fourth V site, V(4) is bonded to one O(1), one O(3), one O(5), one O(7), one F(1), and one F(5) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 10-28°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(3) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one V(2) and one V(4) atom. In the fourth O site, O(4) is bonded in a linear geometry to one V(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one V(2) and one V(4) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one V(1) and one V(3) atom. In the seventh O site, O(7) is bonded in a linear geometry to one V(3) and one V(4) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the fourth F site, F(4) is bonded in a linear geometry to one V(1) and one V(3) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. is represented by the CIF file [CIF]
data_V4O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.349
_cell_length_b   7.389
_cell_length_c   5.421
_cell_angle_alpha   90.480
_cell_angle_beta   90.454
_cell_angle_gamma   90.744
_symmetry_Int_Tables_number   1
_cell_volume   214.233
_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
  V  V0  1  0.536  0.489  0.464  1.0
  V  V1  1  0.526  1.000  0.531  1.0
  V  V2  1  0.016  0.475  0.960  1.0
  V  V3  1  0.028  0.980  0.037  1.0
  O  O4  1  0.937  0.256  0.009  1.0
  O  O5  1  0.764  0.544  0.274  1.0
  O  O6  1  0.760  0.980  0.731  1.0
  O  O7  1  0.560  0.263  0.486  1.0
  O  O8  1  0.223  0.026  0.273  1.0
  O  O9  1  0.211  0.466  0.727  1.0
  O  O10  1  0.050  0.754  0.999  1.0
  F  F11  1  0.722  0.963  0.224  1.0
  F  F12  1  0.715  0.538  0.772  1.0
  F  F13  1  0.420  0.744  0.513  1.0
  F  F14  1  0.271  0.478  0.221  1.0
  F  F15  1  0.260  0.043  0.779  1.0
[/CIF]
.