The material described by V3OF7 crystallizes in the orthorhombic Pnma space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form VF6 octahedra that share corners with two equivalent V(1)F6 octahedra and corners with four equivalent V(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 3-32°. In the second V site, V(2) is bonded to one O(1), one F(2), one F(3), and three equivalent F(4) atoms to form distorted VOF5 octahedra that share corners with two equivalent V(1)F6 octahedra, corners with three equivalent V(2)OF5 octahedra, and edges with two equivalent V(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 27-32°. O(1) is bonded in a bent 150 degrees geometry to two equivalent V(2) atoms. There are four 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(1) and one V(2) 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 three equivalent V(2) atoms. is represented by the CIF file [CIF]
data_V3OF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.027
_cell_length_b   9.971
_cell_length_c   15.360
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   616.764
_cell_formula_units_Z   4
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  0.489  0.250  0.040  1.0
  V  V1  1  0.496  0.573  0.179  1.0
  V  V2  1  0.496  0.927  0.179  1.0
  V  V3  1  0.996  0.073  0.321  1.0
  V  V4  1  0.996  0.427  0.321  1.0
  V  V5  1  0.989  0.750  0.460  1.0
  V  V6  1  0.011  0.250  0.540  1.0
  V  V7  1  0.004  0.573  0.679  1.0
  V  V8  1  0.004  0.927  0.679  1.0
  V  V9  1  0.504  0.073  0.821  1.0
  V  V10  1  0.504  0.427  0.821  1.0
  V  V11  1  0.511  0.750  0.960  1.0
  O  O12  1  0.495  0.750  0.207  1.0
  O  O13  1  0.995  0.250  0.293  1.0
  O  O14  1  0.005  0.750  0.707  1.0
  O  O15  1  0.505  0.250  0.793  1.0
  F  F16  1  0.989  0.250  0.037  1.0
  F  F17  1  0.511  0.614  0.052  1.0
  F  F18  1  0.511  0.886  0.052  1.0
  F  F19  1  0.490  0.116  0.134  1.0
  F  F20  1  0.490  0.384  0.134  1.0
  F  F21  1  0.995  0.965  0.198  1.0
  F  F22  1  0.995  0.535  0.198  1.0
  F  F23  1  0.495  0.035  0.302  1.0
  F  F24  1  0.495  0.465  0.302  1.0
  F  F25  1  0.990  0.616  0.366  1.0
  F  F26  1  0.990  0.884  0.366  1.0
  F  F27  1  0.011  0.114  0.448  1.0
  F  F28  1  0.011  0.386  0.448  1.0
  F  F29  1  0.489  0.750  0.463  1.0
  F  F30  1  0.511  0.250  0.537  1.0
  F  F31  1  0.989  0.614  0.552  1.0
  F  F32  1  0.989  0.886  0.552  1.0
  F  F33  1  0.010  0.116  0.634  1.0
  F  F34  1  0.010  0.384  0.634  1.0
  F  F35  1  0.505  0.535  0.698  1.0
  F  F36  1  0.505  0.965  0.698  1.0
  F  F37  1  0.005  0.035  0.802  1.0
  F  F38  1  0.005  0.465  0.802  1.0
  F  F39  1  0.510  0.616  0.866  1.0
  F  F40  1  0.510  0.884  0.866  1.0
  F  F41  1  0.489  0.114  0.948  1.0
  F  F42  1  0.489  0.386  0.948  1.0
  F  F43  1  0.011  0.750  0.963  1.0
[/CIF]
.
The material described by V3OF7 crystallizes in the orthorhombic Pnma space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form VF6 octahedra that share corners with two equivalent V(1)F6 octahedra and corners with four equivalent V(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 3-32°. In the second V site, V(2) is bonded to one O(1), one F(2), one F(3), and three equivalent F(4) atoms to form distorted VOF5 octahedra that share corners with two equivalent V(1)F6 octahedra, corners with three equivalent V(2)OF5 octahedra, and edges with two equivalent V(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 27-32°. O(1) is bonded in a bent 150 degrees geometry to two equivalent V(2) atoms. There are four 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(1) and one V(2) 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 three equivalent V(2) atoms. is represented by the CIF file [CIF]
data_V3OF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.027
_cell_length_b   9.971
_cell_length_c   15.360
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   616.764
_cell_formula_units_Z   4
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  0.489  0.250  0.040  1.0
  V  V1  1  0.496  0.573  0.179  1.0
  V  V2  1  0.496  0.927  0.179  1.0
  V  V3  1  0.996  0.073  0.321  1.0
  V  V4  1  0.996  0.427  0.321  1.0
  V  V5  1  0.989  0.750  0.460  1.0
  V  V6  1  0.011  0.250  0.540  1.0
  V  V7  1  0.004  0.573  0.679  1.0
  V  V8  1  0.004  0.927  0.679  1.0
  V  V9  1  0.504  0.073  0.821  1.0
  V  V10  1  0.504  0.427  0.821  1.0
  V  V11  1  0.511  0.750  0.960  1.0
  O  O12  1  0.495  0.750  0.207  1.0
  O  O13  1  0.995  0.250  0.293  1.0
  O  O14  1  0.005  0.750  0.707  1.0
  O  O15  1  0.505  0.250  0.793  1.0
  F  F16  1  0.989  0.250  0.037  1.0
  F  F17  1  0.511  0.614  0.052  1.0
  F  F18  1  0.511  0.886  0.052  1.0
  F  F19  1  0.490  0.116  0.134  1.0
  F  F20  1  0.490  0.384  0.134  1.0
  F  F21  1  0.995  0.965  0.198  1.0
  F  F22  1  0.995  0.535  0.198  1.0
  F  F23  1  0.495  0.035  0.302  1.0
  F  F24  1  0.495  0.465  0.302  1.0
  F  F25  1  0.990  0.616  0.366  1.0
  F  F26  1  0.990  0.884  0.366  1.0
  F  F27  1  0.011  0.114  0.448  1.0
  F  F28  1  0.011  0.386  0.448  1.0
  F  F29  1  0.489  0.750  0.463  1.0
  F  F30  1  0.511  0.250  0.537  1.0
  F  F31  1  0.989  0.614  0.552  1.0
  F  F32  1  0.989  0.886  0.552  1.0
  F  F33  1  0.010  0.116  0.634  1.0
  F  F34  1  0.010  0.384  0.634  1.0
  F  F35  1  0.505  0.535  0.698  1.0
  F  F36  1  0.505  0.965  0.698  1.0
  F  F37  1  0.005  0.035  0.802  1.0
  F  F38  1  0.005  0.465  0.802  1.0
  F  F39  1  0.510  0.616  0.866  1.0
  F  F40  1  0.510  0.884  0.866  1.0
  F  F41  1  0.489  0.114  0.948  1.0
  F  F42  1  0.489  0.386  0.948  1.0
  F  F43  1  0.011  0.750  0.963  1.0
[/CIF]
.