The material 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(1), one O(2), one O(4), one O(7), one F(2), and one F(3) atom. In the second V site, V(2) is bonded in a 3-coordinate geometry to one O(1), one O(3), one O(4), one O(7), one F(1), 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(5), one O(6), one F(1), one F(4), and one F(5) atom. In the fourth V site, V(4) is bonded in a 3-coordinate geometry to one O(2), one O(5), one O(6), one F(2), and one F(5) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one V(1) and one V(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(4) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one V(2) and one V(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one V(3) and one V(4) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one V(1) and one V(2) 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(3) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one V(1) and one V(4) atom. In the third F site, F(3) is bonded in a single-bond geometry to one V(1) atom. In the fourth F site, F(4) is bonded in a distorted bent 150 degrees geometry to one V(2) and one V(3) atom. In the fifth F site, F(5) 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_V4O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.281
_cell_length_b   5.288
_cell_length_c   9.040
_cell_angle_alpha   106.335
_cell_angle_beta   89.159
_cell_angle_gamma   119.206
_symmetry_Int_Tables_number   1
_cell_volume   209.150
_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  0.315  0.761  0.757  1.0
  V  V1  1  0.542  0.493  0.522  1.0
  V  V2  1  0.726  0.266  0.259  1.0
  V  V3  1  0.036  0.984  0.017  1.0
  O  O4  1  0.432  0.124  0.622  1.0
  O  O5  1  0.591  0.850  0.902  1.0
  O  O6  1  0.578  0.410  0.335  1.0
  O  O7  1  0.409  0.595  0.658  1.0
  O  O8  1  0.397  0.159  0.083  1.0
  O  O9  1  0.942  0.635  0.119  1.0
  O  O10  1  0.894  0.650  0.588  1.0
  F  F11  1  0.066  0.315  0.408  1.0
  F  F12  1  0.085  0.923  0.833  1.0
  F  F13  1  0.055  0.392  0.873  1.0
  F  F14  1  0.528  0.854  0.371  1.0
  F  F15  1  0.901  0.090  0.153  1.0
[/CIF]
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The material 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(1), one O(2), one O(4), one O(7), one F(2), and one F(3) atom. In the second V site, V(2) is bonded in a 3-coordinate geometry to one O(1), one O(3), one O(4), one O(7), one F(1), 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(5), one O(6), one F(1), one F(4), and one F(5) atom. In the fourth V site, V(4) is bonded in a 3-coordinate geometry to one O(2), one O(5), one O(6), one F(2), and one F(5) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one V(1) and one V(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(4) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one V(2) and one V(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one V(3) and one V(4) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one V(1) and one V(2) 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(3) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one V(1) and one V(4) atom. In the third F site, F(3) is bonded in a single-bond geometry to one V(1) atom. In the fourth F site, F(4) is bonded in a distorted bent 150 degrees geometry to one V(2) and one V(3) atom. In the fifth F site, F(5) 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_V4O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.281
_cell_length_b   5.288
_cell_length_c   9.040
_cell_angle_alpha   106.335
_cell_angle_beta   89.159
_cell_angle_gamma   119.206
_symmetry_Int_Tables_number   1
_cell_volume   209.150
_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  0.315  0.761  0.757  1.0
  V  V1  1  0.542  0.493  0.522  1.0
  V  V2  1  0.726  0.266  0.259  1.0
  V  V3  1  0.036  0.984  0.017  1.0
  O  O4  1  0.432  0.124  0.622  1.0
  O  O5  1  0.591  0.850  0.902  1.0
  O  O6  1  0.578  0.410  0.335  1.0
  O  O7  1  0.409  0.595  0.658  1.0
  O  O8  1  0.397  0.159  0.083  1.0
  O  O9  1  0.942  0.635  0.119  1.0
  O  O10  1  0.894  0.650  0.588  1.0
  F  F11  1  0.066  0.315  0.408  1.0
  F  F12  1  0.085  0.923  0.833  1.0
  F  F13  1  0.055  0.392  0.873  1.0
  F  F14  1  0.528  0.854  0.371  1.0
  F  F15  1  0.901  0.090  0.153  1.0
[/CIF]
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