The material described by V2OF5 crystallizes in the triclinic P1 space group. There are six inequivalent V sites. In the first V site, V(1) is bonded in a linear geometry to one F(1), one F(15), one F(6), and one F(9) atom. In the second V site, V(2) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(3), one F(11), one F(3), one F(7), and one F(8) atom. In the third V site, V(3) is bonded in a bent 150 degrees geometry to one O(1), one F(2), and one F(5) atom. In the fourth V site, V(4) is bonded in a 4-coordinate geometry to one O(2), one F(13), one F(3), one F(4), and one F(8) atom. In the fifth V site, V(5) is bonded in a distorted square co-planar geometry to one O(3), one F(10), one F(13), one F(15), one F(4), and one F(7) atom. In the sixth V site, V(6) is bonded in a linear geometry to one O(2), one F(11), one F(12), and one F(14) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one V(2) and one V(3) atom. In the second O site, O(2) is bonded in a linear geometry to one V(4) and one V(6) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one V(2), one V(5), and one F(9) atom. There are fifteen inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one V(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one V(3) and one F(13) atom. In the third F site, F(3) is bonded in a 2-coordinate geometry to one V(2) and one V(4) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one V(4), one V(5), and one F(14) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one V(3) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one V(1) atom. In the seventh F site, F(7) is bonded in a 2-coordinate geometry to one V(2) and one V(5) atom. In the eighth F site, F(8) is bonded in a distorted water-like geometry to one V(2) and one V(4) atom. In the ninth F site, F(9) is bonded in a distorted bent 120 degrees geometry to one V(1) and one O(3) atom. In the tenth F site, F(10) is bonded in a single-bond geometry to one V(5) atom. In the eleventh F site, F(11) is bonded in a distorted linear geometry to one V(2) and one V(6) atom. In the twelfth F site, F(12) is bonded in a single-bond geometry to one V(6) atom. In the thirteenth F site, F(13) is bonded in a distorted trigonal non-coplanar geometry to one V(4), one V(5), and one F(2) atom. In the fourteenth F site, F(14) is bonded in a single-bond geometry to one V(6) and one F(4) atom. In the fifteenth F site, F(15) is bonded in a distorted linear geometry to one V(1) and one V(5) atom. is represented by the CIF card [CIF]
data_V2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.422
_cell_length_b   7.594
_cell_length_c   9.062
_cell_angle_alpha   113.856
_cell_angle_beta   105.886
_cell_angle_gamma   92.895
_symmetry_Int_Tables_number   1
_cell_volume   322.676
_cell_formula_units_Z   3
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  0.009  0.007  0.996  1.0
  V  V1  1  0.018  0.494  0.007  1.0
  V  V2  1  0.043  0.015  0.660  1.0
  V  V3  1  0.955  0.482  0.682  1.0
  V  V4  1  0.994  0.496  0.337  1.0
  V  V5  1  0.994  0.006  0.331  1.0
  O  O6  1  0.519  0.261  0.852  1.0
  O  O7  1  0.480  0.236  0.535  1.0
  O  O8  1  0.076  0.340  0.133  1.0
  F  F9  1  0.517  0.758  0.798  1.0
  F  F10  1  0.092  0.847  0.602  1.0
  F  F11  1  0.908  0.650  0.869  1.0
  F  F12  1  0.094  0.345  0.470  1.0
  F  F13  1  0.902  0.148  0.734  1.0
  F  F14  1  0.097  0.850  0.932  1.0
  F  F15  1  0.904  0.653  0.198  1.0
  F  F16  1  0.099  0.354  0.799  1.0
  F  F17  1  0.901  0.157  0.062  1.0
  F  F18  1  0.484  0.739  0.477  1.0
  F  F19  1  0.501  0.751  0.134  1.0
  F  F20  1  0.095  0.849  0.268  1.0
  F  F21  1  0.914  0.656  0.528  1.0
  F  F22  1  0.903  0.152  0.399  1.0
  F  F23  1  0.498  0.255  0.196  1.0
[/CIF]
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The material described by V2OF5 crystallizes in the triclinic P1 space group. There are six inequivalent V sites. In the first V site, V(1) is bonded in a linear geometry to one F(1), one F(15), one F(6), and one F(9) atom. In the second V site, V(2) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(3), one F(11), one F(3), one F(7), and one F(8) atom. In the third V site, V(3) is bonded in a bent 150 degrees geometry to one O(1), one F(2), and one F(5) atom. In the fourth V site, V(4) is bonded in a 4-coordinate geometry to one O(2), one F(13), one F(3), one F(4), and one F(8) atom. In the fifth V site, V(5) is bonded in a distorted square co-planar geometry to one O(3), one F(10), one F(13), one F(15), one F(4), and one F(7) atom. In the sixth V site, V(6) is bonded in a linear geometry to one O(2), one F(11), one F(12), and one F(14) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one V(2) and one V(3) atom. In the second O site, O(2) is bonded in a linear geometry to one V(4) and one V(6) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one V(2), one V(5), and one F(9) atom. There are fifteen inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one V(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one V(3) and one F(13) atom. In the third F site, F(3) is bonded in a 2-coordinate geometry to one V(2) and one V(4) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one V(4), one V(5), and one F(14) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one V(3) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one V(1) atom. In the seventh F site, F(7) is bonded in a 2-coordinate geometry to one V(2) and one V(5) atom. In the eighth F site, F(8) is bonded in a distorted water-like geometry to one V(2) and one V(4) atom. In the ninth F site, F(9) is bonded in a distorted bent 120 degrees geometry to one V(1) and one O(3) atom. In the tenth F site, F(10) is bonded in a single-bond geometry to one V(5) atom. In the eleventh F site, F(11) is bonded in a distorted linear geometry to one V(2) and one V(6) atom. In the twelfth F site, F(12) is bonded in a single-bond geometry to one V(6) atom. In the thirteenth F site, F(13) is bonded in a distorted trigonal non-coplanar geometry to one V(4), one V(5), and one F(2) atom. In the fourteenth F site, F(14) is bonded in a single-bond geometry to one V(6) and one F(4) atom. In the fifteenth F site, F(15) is bonded in a distorted linear geometry to one V(1) and one V(5) atom. is represented by the CIF card [CIF]
data_V2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.422
_cell_length_b   7.594
_cell_length_c   9.062
_cell_angle_alpha   113.856
_cell_angle_beta   105.886
_cell_angle_gamma   92.895
_symmetry_Int_Tables_number   1
_cell_volume   322.676
_cell_formula_units_Z   3
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  0.009  0.007  0.996  1.0
  V  V1  1  0.018  0.494  0.007  1.0
  V  V2  1  0.043  0.015  0.660  1.0
  V  V3  1  0.955  0.482  0.682  1.0
  V  V4  1  0.994  0.496  0.337  1.0
  V  V5  1  0.994  0.006  0.331  1.0
  O  O6  1  0.519  0.261  0.852  1.0
  O  O7  1  0.480  0.236  0.535  1.0
  O  O8  1  0.076  0.340  0.133  1.0
  F  F9  1  0.517  0.758  0.798  1.0
  F  F10  1  0.092  0.847  0.602  1.0
  F  F11  1  0.908  0.650  0.869  1.0
  F  F12  1  0.094  0.345  0.470  1.0
  F  F13  1  0.902  0.148  0.734  1.0
  F  F14  1  0.097  0.850  0.932  1.0
  F  F15  1  0.904  0.653  0.198  1.0
  F  F16  1  0.099  0.354  0.799  1.0
  F  F17  1  0.901  0.157  0.062  1.0
  F  F18  1  0.484  0.739  0.477  1.0
  F  F19  1  0.501  0.751  0.134  1.0
  F  F20  1  0.095  0.849  0.268  1.0
  F  F21  1  0.914  0.656  0.528  1.0
  F  F22  1  0.903  0.152  0.399  1.0
  F  F23  1  0.498  0.255  0.196  1.0
[/CIF]
.