The material structure described by V4O5F7 crystallizes in the triclinic P1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(5), one F(2), one F(3), and one F(4) atom. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one F(1), one F(3), and one F(4) atom. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(3), one O(4), one F(1), one F(5), one F(6), and one F(7) atom. In the fourth V site, V(4) is bonded in a 6-coordinate geometry to one O(1), one O(2), one F(2), one F(5), one F(6), and one F(7) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one V(1) and one V(4) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one V(2) and one V(3) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one V(2) and one V(3) 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 seven inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to one V(2) and one V(3) atom. In the second F site, F(2) is bonded in a linear geometry to one V(1) and one V(4) 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 bent 150 degrees geometry to one V(1) and one V(2) atom. In the fifth F site, F(5) is bonded in a distorted bent 120 degrees geometry to one V(3) and one V(4) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. is represented by the CIF file [CIF]
data_V4O5F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.285
_cell_length_b   5.348
_cell_length_c   9.049
_cell_angle_alpha   105.654
_cell_angle_beta   90.335
_cell_angle_gamma   119.548
_symmetry_Int_Tables_number   1
_cell_volume   211.263
_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  0.479  0.735  0.739  1.0
  V  V1  1  0.024  0.531  0.488  1.0
  V  V2  1  0.474  0.264  0.256  1.0
  V  V3  1  0.970  0.012  0.984  1.0
  O  O4  1  0.170  0.363  0.882  1.0
  O  O5  1  0.683  0.842  0.914  1.0
  O  O6  1  0.260  0.406  0.337  1.0
  O  O7  1  0.181  0.865  0.377  1.0
  O  O8  1  0.321  0.659  0.597  1.0
  F  F9  1  0.670  0.322  0.416  1.0
  F  F10  1  0.248  0.917  0.843  1.0
  F  F11  1  0.831  0.129  0.624  1.0
  F  F12  1  0.746  0.576  0.670  1.0
  F  F13  1  0.341  0.162  0.082  1.0
  F  F14  1  0.845  0.635  0.123  1.0
  F  F15  1  0.758  0.083  0.167  1.0
[/CIF]
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The material structure described by V4O5F7 crystallizes in the triclinic P1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(5), one F(2), one F(3), and one F(4) atom. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one F(1), one F(3), and one F(4) atom. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(3), one O(4), one F(1), one F(5), one F(6), and one F(7) atom. In the fourth V site, V(4) is bonded in a 6-coordinate geometry to one O(1), one O(2), one F(2), one F(5), one F(6), and one F(7) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one V(1) and one V(4) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one V(2) and one V(3) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one V(2) and one V(3) 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 seven inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to one V(2) and one V(3) atom. In the second F site, F(2) is bonded in a linear geometry to one V(1) and one V(4) 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 bent 150 degrees geometry to one V(1) and one V(2) atom. In the fifth F site, F(5) is bonded in a distorted bent 120 degrees geometry to one V(3) and one V(4) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. is represented by the CIF file [CIF]
data_V4O5F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.285
_cell_length_b   5.348
_cell_length_c   9.049
_cell_angle_alpha   105.654
_cell_angle_beta   90.335
_cell_angle_gamma   119.548
_symmetry_Int_Tables_number   1
_cell_volume   211.263
_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  0.479  0.735  0.739  1.0
  V  V1  1  0.024  0.531  0.488  1.0
  V  V2  1  0.474  0.264  0.256  1.0
  V  V3  1  0.970  0.012  0.984  1.0
  O  O4  1  0.170  0.363  0.882  1.0
  O  O5  1  0.683  0.842  0.914  1.0
  O  O6  1  0.260  0.406  0.337  1.0
  O  O7  1  0.181  0.865  0.377  1.0
  O  O8  1  0.321  0.659  0.597  1.0
  F  F9  1  0.670  0.322  0.416  1.0
  F  F10  1  0.248  0.917  0.843  1.0
  F  F11  1  0.831  0.129  0.624  1.0
  F  F12  1  0.746  0.576  0.670  1.0
  F  F13  1  0.341  0.162  0.082  1.0
  F  F14  1  0.845  0.635  0.123  1.0
  F  F15  1  0.758  0.083  0.167  1.0
[/CIF]
.