The material structure described by V3O7F 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 O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted VO6 octahedra that share corners with two equivalent V(1)O6 octahedra and corners with four equivalent V(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 14-20°. In the second V site, V(2) is bonded to one O(2), one O(3), three equivalent O(4), and one F(1) atom to form distorted VO5F octahedra that share corners with two equivalent V(1)O6 octahedra, corners with three equivalent V(2)O5F octahedra, and edges with two equivalent V(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 14-45°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to one V(1) and one V(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to three equivalent V(2) atoms. F(1) is bonded in a distorted bent 150 degrees geometry to two equivalent V(2) atoms. is represented by the CIF card [CIF]
data_V3O7F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.614
_cell_length_b   9.963
_cell_length_c   15.066
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   542.461
_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  0.946  0.250  0.548  1.0
  V  V1  1  0.995  0.558  0.665  1.0
  V  V2  1  0.995  0.942  0.665  1.0
  V  V3  1  0.495  0.058  0.835  1.0
  V  V4  1  0.495  0.442  0.835  1.0
  V  V5  1  0.446  0.750  0.952  1.0
  V  V6  1  0.554  0.250  0.048  1.0
  V  V7  1  0.505  0.558  0.165  1.0
  V  V8  1  0.505  0.942  0.165  1.0
  V  V9  1  0.005  0.058  0.335  1.0
  V  V10  1  0.005  0.442  0.335  1.0
  V  V11  1  0.054  0.750  0.452  1.0
  O  O12  1  0.488  0.250  0.528  1.0
  O  O13  1  0.001  0.624  0.564  1.0
  O  O14  1  0.001  0.876  0.564  1.0
  O  O15  1  0.990  0.115  0.623  1.0
  O  O16  1  0.990  0.385  0.623  1.0
  O  O17  1  0.495  0.951  0.700  1.0
  O  O18  1  0.495  0.549  0.700  1.0
  O  O19  1  0.995  0.049  0.800  1.0
  O  O20  1  0.995  0.451  0.800  1.0
  O  O21  1  0.490  0.615  0.877  1.0
  O  O22  1  0.490  0.885  0.877  1.0
  O  O23  1  0.501  0.124  0.936  1.0
  O  O24  1  0.501  0.376  0.936  1.0
  O  O25  1  0.988  0.750  0.972  1.0
  O  O26  1  0.012  0.250  0.028  1.0
  O  O27  1  0.499  0.624  0.064  1.0
  O  O28  1  0.499  0.876  0.064  1.0
  O  O29  1  0.510  0.115  0.123  1.0
  O  O30  1  0.510  0.385  0.123  1.0
  O  O31  1  0.005  0.549  0.200  1.0
  O  O32  1  0.005  0.951  0.200  1.0
  O  O33  1  0.505  0.049  0.300  1.0
  O  O34  1  0.505  0.451  0.300  1.0
  O  O35  1  0.010  0.615  0.377  1.0
  O  O36  1  0.010  0.885  0.377  1.0
  O  O37  1  0.999  0.124  0.436  1.0
  O  O38  1  0.999  0.376  0.436  1.0
  O  O39  1  0.512  0.750  0.472  1.0
  F  F40  1  0.995  0.750  0.717  1.0
  F  F41  1  0.495  0.250  0.783  1.0
  F  F42  1  0.505  0.750  0.217  1.0
  F  F43  1  0.005  0.250  0.283  1.0
[/CIF]
.
The material structure described by V3O7F 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 O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted VO6 octahedra that share corners with two equivalent V(1)O6 octahedra and corners with four equivalent V(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 14-20°. In the second V site, V(2) is bonded to one O(2), one O(3), three equivalent O(4), and one F(1) atom to form distorted VO5F octahedra that share corners with two equivalent V(1)O6 octahedra, corners with three equivalent V(2)O5F octahedra, and edges with two equivalent V(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 14-45°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to one V(1) and one V(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to three equivalent V(2) atoms. F(1) is bonded in a distorted bent 150 degrees geometry to two equivalent V(2) atoms. is represented by the CIF card [CIF]
data_V3O7F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.614
_cell_length_b   9.963
_cell_length_c   15.066
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   542.461
_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  0.946  0.250  0.548  1.0
  V  V1  1  0.995  0.558  0.665  1.0
  V  V2  1  0.995  0.942  0.665  1.0
  V  V3  1  0.495  0.058  0.835  1.0
  V  V4  1  0.495  0.442  0.835  1.0
  V  V5  1  0.446  0.750  0.952  1.0
  V  V6  1  0.554  0.250  0.048  1.0
  V  V7  1  0.505  0.558  0.165  1.0
  V  V8  1  0.505  0.942  0.165  1.0
  V  V9  1  0.005  0.058  0.335  1.0
  V  V10  1  0.005  0.442  0.335  1.0
  V  V11  1  0.054  0.750  0.452  1.0
  O  O12  1  0.488  0.250  0.528  1.0
  O  O13  1  0.001  0.624  0.564  1.0
  O  O14  1  0.001  0.876  0.564  1.0
  O  O15  1  0.990  0.115  0.623  1.0
  O  O16  1  0.990  0.385  0.623  1.0
  O  O17  1  0.495  0.951  0.700  1.0
  O  O18  1  0.495  0.549  0.700  1.0
  O  O19  1  0.995  0.049  0.800  1.0
  O  O20  1  0.995  0.451  0.800  1.0
  O  O21  1  0.490  0.615  0.877  1.0
  O  O22  1  0.490  0.885  0.877  1.0
  O  O23  1  0.501  0.124  0.936  1.0
  O  O24  1  0.501  0.376  0.936  1.0
  O  O25  1  0.988  0.750  0.972  1.0
  O  O26  1  0.012  0.250  0.028  1.0
  O  O27  1  0.499  0.624  0.064  1.0
  O  O28  1  0.499  0.876  0.064  1.0
  O  O29  1  0.510  0.115  0.123  1.0
  O  O30  1  0.510  0.385  0.123  1.0
  O  O31  1  0.005  0.549  0.200  1.0
  O  O32  1  0.005  0.951  0.200  1.0
  O  O33  1  0.505  0.049  0.300  1.0
  O  O34  1  0.505  0.451  0.300  1.0
  O  O35  1  0.010  0.615  0.377  1.0
  O  O36  1  0.010  0.885  0.377  1.0
  O  O37  1  0.999  0.124  0.436  1.0
  O  O38  1  0.999  0.376  0.436  1.0
  O  O39  1  0.512  0.750  0.472  1.0
  F  F40  1  0.995  0.750  0.717  1.0
  F  F41  1  0.495  0.250  0.783  1.0
  F  F42  1  0.505  0.750  0.217  1.0
  F  F43  1  0.005  0.250  0.283  1.0
[/CIF]
.