The crystal structure described by V3O5F is Hydrophilite-derived structured and crystallizes in the monoclinic P2/m space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form VO6 octahedra that share corners with eight equivalent V(3)O5F octahedra and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. In the second V site, V(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent F(1) atoms to form VO4F2 octahedra that share corners with four equivalent V(3)O5F octahedra, corners with four equivalent V(4)O6 octahedra, and edges with two equivalent V(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-51°. In the third V site, V(3) is bonded to one O(2), two equivalent O(3), two equivalent O(4), and one F(1) atom to form VO5F octahedra that share corners with four equivalent V(2)O4F2 octahedra, corners with four equivalent V(1)O6 octahedra, and edges with two equivalent V(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-50°. In the fourth V site, V(4) is bonded to two equivalent O(1) and four equivalent O(5) atoms to form VO6 octahedra that share corners with eight equivalent V(2)O4F2 octahedra and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(4) and two equivalent V(2) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(3) and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent V(3) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent V(3) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent V(4) atoms. F(1) is bonded in a distorted T-shaped geometry to one V(3) and two equivalent V(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_V3O5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.904
_cell_length_b   4.577
_cell_length_c   13.759
_cell_angle_alpha   87.744
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   182.744
_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  0.000  0.000  0.000  1.0
  V  V1  1  0.000  0.022  0.342  1.0
  V  V2  1  0.000  0.978  0.658  1.0
  V  V3  1  0.500  0.473  0.158  1.0
  V  V4  1  0.500  0.500  0.500  1.0
  V  V5  1  0.500  0.527  0.842  1.0
  O  O6  1  0.500  0.800  0.599  1.0
  O  O7  1  0.500  0.798  0.935  1.0
  O  O8  1  0.000  0.700  0.103  1.0
  O  O9  1  0.000  0.707  0.766  1.0
  O  O10  1  0.000  0.700  0.431  1.0
  O  O11  1  0.000  0.293  0.234  1.0
  O  O12  1  0.000  0.300  0.569  1.0
  O  O13  1  0.000  0.300  0.897  1.0
  O  O14  1  0.500  0.202  0.065  1.0
  O  O15  1  0.500  0.200  0.401  1.0
  F  F16  1  0.500  0.798  0.268  1.0
  F  F17  1  0.500  0.202  0.732  1.0
[/CIF]
.
The crystal structure described by V3O5F is Hydrophilite-derived structured and crystallizes in the monoclinic P2/m space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form VO6 octahedra that share corners with eight equivalent V(3)O5F octahedra and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. In the second V site, V(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent F(1) atoms to form VO4F2 octahedra that share corners with four equivalent V(3)O5F octahedra, corners with four equivalent V(4)O6 octahedra, and edges with two equivalent V(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-51°. In the third V site, V(3) is bonded to one O(2), two equivalent O(3), two equivalent O(4), and one F(1) atom to form VO5F octahedra that share corners with four equivalent V(2)O4F2 octahedra, corners with four equivalent V(1)O6 octahedra, and edges with two equivalent V(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-50°. In the fourth V site, V(4) is bonded to two equivalent O(1) and four equivalent O(5) atoms to form VO6 octahedra that share corners with eight equivalent V(2)O4F2 octahedra and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(4) and two equivalent V(2) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(3) and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent V(3) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent V(3) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent V(4) atoms. F(1) is bonded in a distorted T-shaped geometry to one V(3) and two equivalent V(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_V3O5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.904
_cell_length_b   4.577
_cell_length_c   13.759
_cell_angle_alpha   87.744
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   182.744
_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  0.000  0.000  0.000  1.0
  V  V1  1  0.000  0.022  0.342  1.0
  V  V2  1  0.000  0.978  0.658  1.0
  V  V3  1  0.500  0.473  0.158  1.0
  V  V4  1  0.500  0.500  0.500  1.0
  V  V5  1  0.500  0.527  0.842  1.0
  O  O6  1  0.500  0.800  0.599  1.0
  O  O7  1  0.500  0.798  0.935  1.0
  O  O8  1  0.000  0.700  0.103  1.0
  O  O9  1  0.000  0.707  0.766  1.0
  O  O10  1  0.000  0.700  0.431  1.0
  O  O11  1  0.000  0.293  0.234  1.0
  O  O12  1  0.000  0.300  0.569  1.0
  O  O13  1  0.000  0.300  0.897  1.0
  O  O14  1  0.500  0.202  0.065  1.0
  O  O15  1  0.500  0.200  0.401  1.0
  F  F16  1  0.500  0.798  0.268  1.0
  F  F17  1  0.500  0.202  0.732  1.0
[/CIF]
.