The compound described by V3O5F is Hydrophilite-derived structured and crystallizes in the monoclinic C2/m space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(4), two equivalent O(1), two equivalent O(2), and one F(1) atom to form VO5F octahedra that share corners with three equivalent V(2)O6 octahedra, corners with five equivalent V(3)O4F2 octahedra,  an edgeedge with one V(1)O5F octahedra, and  an edgeedge with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-55°. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with two equivalent V(4)O6 octahedra, corners with six equivalent V(1)O5F octahedra, and edges with two equivalent V(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the third V site, V(3) is bonded to one O(3), one O(4), two equivalent O(2), and two equivalent F(1) atoms to form VO4F2 octahedra that share corners with three equivalent V(4)O6 octahedra, corners with five equivalent V(1)O5F octahedra,  an edgeedge with one V(3)O4F2 octahedra, and  an edgeedge with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-55°. In the fourth V site, V(4) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with six equivalent V(3)O4F2 octahedra, and edges with two equivalent V(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 43-49°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one V(4) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one V(2), one V(3), and one V(4) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(3) atom. F(1) is bonded in a trigonal planar geometry to one V(1) and two equivalent V(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_V3O5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.521
_cell_length_b   5.521
_cell_length_c   7.398
_cell_angle_alpha   69.819
_cell_angle_beta   69.819
_cell_angle_gamma   71.835
_symmetry_Int_Tables_number   1
_cell_volume   193.809
_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  0.826  0.826  0.646  1.0
  V  V1  1  0.500  0.500  0.500  1.0
  V  V2  1  0.811  0.811  0.175  1.0
  V  V3  1  0.500  0.500  0.000  1.0
  V  V4  1  0.174  0.174  0.354  1.0
  V  V5  1  0.189  0.189  0.825  1.0
  O  O6  1  0.800  0.200  0.500  1.0
  O  O7  1  0.136  0.534  0.164  1.0
  O  O8  1  0.397  0.397  0.808  1.0
  O  O9  1  0.738  0.738  0.458  1.0
  O  O10  1  0.262  0.262  0.542  1.0
  O  O11  1  0.603  0.603  0.192  1.0
  O  O12  1  0.864  0.466  0.836  1.0
  O  O13  1  0.200  0.800  0.500  1.0
  O  O14  1  0.534  0.136  0.164  1.0
  O  O15  1  0.466  0.864  0.836  1.0
  F  F16  1  0.062  0.062  0.130  1.0
  F  F17  1  0.938  0.938  0.870  1.0
[/CIF]
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The compound described by V3O5F is Hydrophilite-derived structured and crystallizes in the monoclinic C2/m space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(4), two equivalent O(1), two equivalent O(2), and one F(1) atom to form VO5F octahedra that share corners with three equivalent V(2)O6 octahedra, corners with five equivalent V(3)O4F2 octahedra,  an edgeedge with one V(1)O5F octahedra, and  an edgeedge with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-55°. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with two equivalent V(4)O6 octahedra, corners with six equivalent V(1)O5F octahedra, and edges with two equivalent V(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the third V site, V(3) is bonded to one O(3), one O(4), two equivalent O(2), and two equivalent F(1) atoms to form VO4F2 octahedra that share corners with three equivalent V(4)O6 octahedra, corners with five equivalent V(1)O5F octahedra,  an edgeedge with one V(3)O4F2 octahedra, and  an edgeedge with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-55°. In the fourth V site, V(4) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with six equivalent V(3)O4F2 octahedra, and edges with two equivalent V(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 43-49°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one V(4) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one V(2), one V(3), and one V(4) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(3) atom. F(1) is bonded in a trigonal planar geometry to one V(1) and two equivalent V(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_V3O5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.521
_cell_length_b   5.521
_cell_length_c   7.398
_cell_angle_alpha   69.819
_cell_angle_beta   69.819
_cell_angle_gamma   71.835
_symmetry_Int_Tables_number   1
_cell_volume   193.809
_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  0.826  0.826  0.646  1.0
  V  V1  1  0.500  0.500  0.500  1.0
  V  V2  1  0.811  0.811  0.175  1.0
  V  V3  1  0.500  0.500  0.000  1.0
  V  V4  1  0.174  0.174  0.354  1.0
  V  V5  1  0.189  0.189  0.825  1.0
  O  O6  1  0.800  0.200  0.500  1.0
  O  O7  1  0.136  0.534  0.164  1.0
  O  O8  1  0.397  0.397  0.808  1.0
  O  O9  1  0.738  0.738  0.458  1.0
  O  O10  1  0.262  0.262  0.542  1.0
  O  O11  1  0.603  0.603  0.192  1.0
  O  O12  1  0.864  0.466  0.836  1.0
  O  O13  1  0.200  0.800  0.500  1.0
  O  O14  1  0.534  0.136  0.164  1.0
  O  O15  1  0.466  0.864  0.836  1.0
  F  F16  1  0.062  0.062  0.130  1.0
  F  F17  1  0.938  0.938  0.870  1.0
[/CIF]
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