The material described by V3O5F is Hydrophilite-derived structured and crystallizes in the triclinic P1 space group. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(4), one O(6), one O(8), one O(9), and one F(2) atom to form VO5F octahedra that share corners with two equivalent V(3)O5F octahedra, corners with three equivalent V(6)O4F2 octahedra, corners with three equivalent V(2)O6 octahedra,  an edgeedge with one V(4)O5F octahedra, and  an edgeedge with one V(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 41-56°. In the second V site, V(2) is bonded to one O(1), one O(3), one O(4), one O(5), one O(7), and one O(9) atom to form VO6 octahedra that share corners with two equivalent V(4)O5F octahedra, corners with three equivalent V(1)O5F octahedra, corners with three equivalent V(5)O5F octahedra,  an edgeedge with one V(6)O4F2 octahedra, and  an edgeedge with one V(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 41-52°. In the third V site, V(3) is bonded to one O(10), one O(2), one O(4), one O(6), one O(7), and one F(1) atom to form VO5F octahedra that share corners with two equivalent V(1)O5F octahedra, corners with three equivalent V(4)O5F octahedra, corners with three equivalent V(5)O5F octahedra,  an edgeedge with one V(6)O4F2 octahedra, and  an edgeedge with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-53°. In the fourth V site, V(4) is bonded to one O(10), one O(2), one O(3), one O(7), one O(8), and one F(2) atom to form VO5F octahedra that share corners with two equivalent V(2)O6 octahedra, corners with three equivalent V(6)O4F2 octahedra, corners with three equivalent V(3)O5F octahedra,  an edgeedge with one V(1)O5F octahedra, and  an edgeedge with one V(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 39-53°. In the fifth V site, V(5) is bonded to one O(1), one O(10), one O(2), one O(5), one O(9), and one F(1) atom to form VO5F octahedra that share corners with two equivalent V(6)O4F2 octahedra, corners with three equivalent V(3)O5F octahedra, corners with three equivalent V(2)O6 octahedra,  an edgeedge with one V(1)O5F octahedra, and  an edgeedge with one V(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the sixth V site, V(6) is bonded to one O(3), one O(5), one O(6), one O(8), one F(1), and one F(2) atom to form VO4F2 octahedra that share corners with two equivalent V(5)O5F octahedra, corners with three equivalent V(1)O5F octahedra, corners with three equivalent V(4)O5F octahedra,  an edgeedge with one V(3)O5F octahedra, and  an edgeedge with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-56°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(5) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one V(3), one V(4), and one V(5) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(2), one V(4), and one V(6) 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. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(2), one V(5), and one V(6) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one V(1), one V(3), and one V(6) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one V(2), one V(3), and one V(4) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one V(1), one V(4), and one V(6) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(5) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one V(3), one V(4), and one V(5) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one V(3), one V(5), and one V(6) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one V(1), one V(4), and one V(6) atom. is represented by the CIF card [CIF]
data_V3O5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.516
_cell_length_b   5.521
_cell_length_c   7.260
_cell_angle_alpha   70.896
_cell_angle_beta   71.019
_cell_angle_gamma   73.855
_symmetry_Int_Tables_number   1
_cell_volume   193.895
_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  0.310  0.323  0.184  1.0
  V  V1  1  0.661  0.665  0.329  1.0
  V  V2  1  0.346  0.356  0.664  1.0
  V  V3  1  0.675  0.693  0.820  1.0
  V  V4  1  0.992  0.997  0.489  1.0
  V  V5  1  0.024  0.966  0.015  1.0
  O  O6  1  0.372  0.974  0.323  1.0
  O  O7  1  0.029  0.631  0.673  1.0
  O  O8  1  0.783  0.782  0.019  1.0
  O  O9  1  0.414  0.423  0.380  1.0
  O  O10  1  0.907  0.898  0.295  1.0
  O  O11  1  0.220  0.224  0.964  1.0
  O  O12  1  0.564  0.571  0.639  1.0
  O  O13  1  0.317  0.681  0.004  1.0
  O  O14  1  0.960  0.372  0.330  1.0
  O  O15  1  0.624  0.041  0.671  1.0
  F  F16  1  0.104  0.098  0.699  1.0
  F  F17  1  0.699  0.301  0.001  1.0
[/CIF]
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The material described by V3O5F is Hydrophilite-derived structured and crystallizes in the triclinic P1 space group. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(4), one O(6), one O(8), one O(9), and one F(2) atom to form VO5F octahedra that share corners with two equivalent V(3)O5F octahedra, corners with three equivalent V(6)O4F2 octahedra, corners with three equivalent V(2)O6 octahedra,  an edgeedge with one V(4)O5F octahedra, and  an edgeedge with one V(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 41-56°. In the second V site, V(2) is bonded to one O(1), one O(3), one O(4), one O(5), one O(7), and one O(9) atom to form VO6 octahedra that share corners with two equivalent V(4)O5F octahedra, corners with three equivalent V(1)O5F octahedra, corners with three equivalent V(5)O5F octahedra,  an edgeedge with one V(6)O4F2 octahedra, and  an edgeedge with one V(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 41-52°. In the third V site, V(3) is bonded to one O(10), one O(2), one O(4), one O(6), one O(7), and one F(1) atom to form VO5F octahedra that share corners with two equivalent V(1)O5F octahedra, corners with three equivalent V(4)O5F octahedra, corners with three equivalent V(5)O5F octahedra,  an edgeedge with one V(6)O4F2 octahedra, and  an edgeedge with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-53°. In the fourth V site, V(4) is bonded to one O(10), one O(2), one O(3), one O(7), one O(8), and one F(2) atom to form VO5F octahedra that share corners with two equivalent V(2)O6 octahedra, corners with three equivalent V(6)O4F2 octahedra, corners with three equivalent V(3)O5F octahedra,  an edgeedge with one V(1)O5F octahedra, and  an edgeedge with one V(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 39-53°. In the fifth V site, V(5) is bonded to one O(1), one O(10), one O(2), one O(5), one O(9), and one F(1) atom to form VO5F octahedra that share corners with two equivalent V(6)O4F2 octahedra, corners with three equivalent V(3)O5F octahedra, corners with three equivalent V(2)O6 octahedra,  an edgeedge with one V(1)O5F octahedra, and  an edgeedge with one V(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the sixth V site, V(6) is bonded to one O(3), one O(5), one O(6), one O(8), one F(1), and one F(2) atom to form VO4F2 octahedra that share corners with two equivalent V(5)O5F octahedra, corners with three equivalent V(1)O5F octahedra, corners with three equivalent V(4)O5F octahedra,  an edgeedge with one V(3)O5F octahedra, and  an edgeedge with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-56°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(5) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one V(3), one V(4), and one V(5) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(2), one V(4), and one V(6) 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. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(2), one V(5), and one V(6) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one V(1), one V(3), and one V(6) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one V(2), one V(3), and one V(4) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one V(1), one V(4), and one V(6) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(5) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one V(3), one V(4), and one V(5) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one V(3), one V(5), and one V(6) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one V(1), one V(4), and one V(6) atom. is represented by the CIF card [CIF]
data_V3O5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.516
_cell_length_b   5.521
_cell_length_c   7.260
_cell_angle_alpha   70.896
_cell_angle_beta   71.019
_cell_angle_gamma   73.855
_symmetry_Int_Tables_number   1
_cell_volume   193.895
_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  0.310  0.323  0.184  1.0
  V  V1  1  0.661  0.665  0.329  1.0
  V  V2  1  0.346  0.356  0.664  1.0
  V  V3  1  0.675  0.693  0.820  1.0
  V  V4  1  0.992  0.997  0.489  1.0
  V  V5  1  0.024  0.966  0.015  1.0
  O  O6  1  0.372  0.974  0.323  1.0
  O  O7  1  0.029  0.631  0.673  1.0
  O  O8  1  0.783  0.782  0.019  1.0
  O  O9  1  0.414  0.423  0.380  1.0
  O  O10  1  0.907  0.898  0.295  1.0
  O  O11  1  0.220  0.224  0.964  1.0
  O  O12  1  0.564  0.571  0.639  1.0
  O  O13  1  0.317  0.681  0.004  1.0
  O  O14  1  0.960  0.372  0.330  1.0
  O  O15  1  0.624  0.041  0.671  1.0
  F  F16  1  0.104  0.098  0.699  1.0
  F  F17  1  0.699  0.301  0.001  1.0
[/CIF]
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