The material structure described by V3OF7 crystallizes in the monoclinic Pm space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(7) atoms to form VF6 octahedra that share corners with two equivalent V(1)F6 octahedra, corners with two equivalent V(2)OF5 octahedra, and corners with two equivalent V(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 2-32°. In the second V site, V(2) is bonded to one O(1), one F(2), one F(3), one F(5), and two equivalent F(4) atoms to form distorted VOF5 octahedra that share  a cornercorner with one V(1)F6 octahedra,  a cornercorner with one V(4)F6 octahedra, corners with three equivalent V(2)OF5 octahedra, and edges with two equivalent V(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 27-32°. In the third V site, V(3) is bonded to one O(2), one F(4), one F(6), one F(7), and two equivalent F(5) atoms to form distorted VOF5 octahedra that share  a cornercorner with one V(1)F6 octahedra,  a cornercorner with one V(4)F6 octahedra, corners with three equivalent V(3)OF5 octahedra, and edges with two equivalent V(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 27-32°. In the fourth V site, V(4) is bonded to two equivalent F(2), two equivalent F(6), and two equivalent F(8) atoms to form VF6 octahedra that share corners with two equivalent V(4)F6 octahedra, corners with two equivalent V(2)OF5 octahedra, and corners with two equivalent V(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 2-32°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent V(2) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent V(3) atoms. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a linear 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(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 distorted T-shaped geometry to one V(3) and two equivalent V(2) atoms. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one V(2) and two equivalent V(3) atoms. 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(1) and one V(3) atom. In the eighth F site, F(8) is bonded in a linear geometry to two equivalent V(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_V3OF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.980
_cell_length_b   9.956
_cell_length_c   4.013
_cell_angle_alpha   90.000
_cell_angle_beta   104.499
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   308.616
_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  0.079  0.250  0.530  1.0
  V  V1  1  0.357  0.573  0.670  1.0
  V  V2  1  0.357  0.927  0.670  1.0
  V  V3  1  0.643  0.073  0.311  1.0
  V  V4  1  0.643  0.427  0.311  1.0
  V  V5  1  0.920  0.750  0.447  1.0
  O  O6  1  0.413  0.750  0.697  1.0
  O  O7  1  0.587  0.250  0.283  1.0
  F  F8  1  0.074  0.250  0.028  1.0
  F  F9  1  0.106  0.614  0.554  1.0
  F  F10  1  0.106  0.886  0.554  1.0
  F  F11  1  0.267  0.117  0.622  1.0
  F  F12  1  0.267  0.383  0.622  1.0
  F  F13  1  0.398  0.965  0.190  1.0
  F  F14  1  0.398  0.535  0.190  1.0
  F  F15  1  0.602  0.035  0.791  1.0
  F  F16  1  0.602  0.465  0.791  1.0
  F  F17  1  0.733  0.617  0.351  1.0
  F  F18  1  0.733  0.883  0.351  1.0
  F  F19  1  0.894  0.114  0.445  1.0
  F  F20  1  0.894  0.386  0.445  1.0
  F  F21  1  0.925  0.750  0.951  1.0
[/CIF]
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The material structure described by V3OF7 crystallizes in the monoclinic Pm space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(7) atoms to form VF6 octahedra that share corners with two equivalent V(1)F6 octahedra, corners with two equivalent V(2)OF5 octahedra, and corners with two equivalent V(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 2-32°. In the second V site, V(2) is bonded to one O(1), one F(2), one F(3), one F(5), and two equivalent F(4) atoms to form distorted VOF5 octahedra that share  a cornercorner with one V(1)F6 octahedra,  a cornercorner with one V(4)F6 octahedra, corners with three equivalent V(2)OF5 octahedra, and edges with two equivalent V(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 27-32°. In the third V site, V(3) is bonded to one O(2), one F(4), one F(6), one F(7), and two equivalent F(5) atoms to form distorted VOF5 octahedra that share  a cornercorner with one V(1)F6 octahedra,  a cornercorner with one V(4)F6 octahedra, corners with three equivalent V(3)OF5 octahedra, and edges with two equivalent V(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 27-32°. In the fourth V site, V(4) is bonded to two equivalent F(2), two equivalent F(6), and two equivalent F(8) atoms to form VF6 octahedra that share corners with two equivalent V(4)F6 octahedra, corners with two equivalent V(2)OF5 octahedra, and corners with two equivalent V(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 2-32°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent V(2) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent V(3) atoms. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a linear 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(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 distorted T-shaped geometry to one V(3) and two equivalent V(2) atoms. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one V(2) and two equivalent V(3) atoms. 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(1) and one V(3) atom. In the eighth F site, F(8) is bonded in a linear geometry to two equivalent V(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_V3OF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.980
_cell_length_b   9.956
_cell_length_c   4.013
_cell_angle_alpha   90.000
_cell_angle_beta   104.499
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   308.616
_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  0.079  0.250  0.530  1.0
  V  V1  1  0.357  0.573  0.670  1.0
  V  V2  1  0.357  0.927  0.670  1.0
  V  V3  1  0.643  0.073  0.311  1.0
  V  V4  1  0.643  0.427  0.311  1.0
  V  V5  1  0.920  0.750  0.447  1.0
  O  O6  1  0.413  0.750  0.697  1.0
  O  O7  1  0.587  0.250  0.283  1.0
  F  F8  1  0.074  0.250  0.028  1.0
  F  F9  1  0.106  0.614  0.554  1.0
  F  F10  1  0.106  0.886  0.554  1.0
  F  F11  1  0.267  0.117  0.622  1.0
  F  F12  1  0.267  0.383  0.622  1.0
  F  F13  1  0.398  0.965  0.190  1.0
  F  F14  1  0.398  0.535  0.190  1.0
  F  F15  1  0.602  0.035  0.791  1.0
  F  F16  1  0.602  0.465  0.791  1.0
  F  F17  1  0.733  0.617  0.351  1.0
  F  F18  1  0.733  0.883  0.351  1.0
  F  F19  1  0.894  0.114  0.445  1.0
  F  F20  1  0.894  0.386  0.445  1.0
  F  F21  1  0.925  0.750  0.951  1.0
[/CIF]
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