The compound described by V2O3F is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmcm space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), two equivalent O(2), one F(1), and one F(2) atom to form VO4F2 octahedra that share corners with four equivalent V(3)O4F2 octahedra, corners with four equivalent V(2)O6 octahedra, and edges with two equivalent V(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the second V site, V(2) is bonded to one O(1), one O(3), and four equivalent O(2) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the third V site, V(3) is bonded to four equivalent O(2), one F(1), and one F(2) atom to form VO4F2 octahedra that share corners with eight equivalent V(1)O4F2 octahedra and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. There are three 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 trigonal planar geometry to one V(1), one V(2), and one V(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent V(1) atoms. 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) and two equivalent V(1) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to one V(3) and two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_V2O3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.299
_cell_length_b   7.299
_cell_length_c   6.379
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   130.013
_symmetry_Int_Tables_number   1
_cell_volume   260.293
_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  0.880  0.627  0.750  1.0
  V  V1  1  0.373  0.120  0.750  1.0
  V  V2  1  0.382  0.618  0.750  1.0
  V  V3  1  0.873  0.127  0.750  1.0
  V  V4  1  0.127  0.873  0.250  1.0
  V  V5  1  0.618  0.382  0.250  1.0
  V  V6  1  0.120  0.373  0.250  1.0
  V  V7  1  0.627  0.880  0.250  1.0
  O  O8  1  0.525  0.475  0.750  1.0
  O  O9  1  0.375  0.126  0.449  1.0
  O  O10  1  0.874  0.625  0.449  1.0
  O  O11  1  0.625  0.874  0.551  1.0
  O  O12  1  0.874  0.625  0.051  1.0
  O  O13  1  0.375  0.126  0.051  1.0
  O  O14  1  0.126  0.375  0.551  1.0
  O  O15  1  0.475  0.525  0.250  1.0
  O  O16  1  0.224  0.776  0.750  1.0
  O  O17  1  0.776  0.224  0.250  1.0
  O  O18  1  0.126  0.375  0.949  1.0
  O  O19  1  0.625  0.874  0.949  1.0
  F  F20  1  0.024  0.976  0.750  1.0
  F  F21  1  0.724  0.276  0.750  1.0
  F  F22  1  0.976  0.024  0.250  1.0
  F  F23  1  0.276  0.724  0.250  1.0
[/CIF]
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The compound described by V2O3F is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmcm space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), two equivalent O(2), one F(1), and one F(2) atom to form VO4F2 octahedra that share corners with four equivalent V(3)O4F2 octahedra, corners with four equivalent V(2)O6 octahedra, and edges with two equivalent V(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the second V site, V(2) is bonded to one O(1), one O(3), and four equivalent O(2) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the third V site, V(3) is bonded to four equivalent O(2), one F(1), and one F(2) atom to form VO4F2 octahedra that share corners with eight equivalent V(1)O4F2 octahedra and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. There are three 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 trigonal planar geometry to one V(1), one V(2), and one V(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent V(1) atoms. 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) and two equivalent V(1) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to one V(3) and two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_V2O3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.299
_cell_length_b   7.299
_cell_length_c   6.379
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   130.013
_symmetry_Int_Tables_number   1
_cell_volume   260.293
_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  0.880  0.627  0.750  1.0
  V  V1  1  0.373  0.120  0.750  1.0
  V  V2  1  0.382  0.618  0.750  1.0
  V  V3  1  0.873  0.127  0.750  1.0
  V  V4  1  0.127  0.873  0.250  1.0
  V  V5  1  0.618  0.382  0.250  1.0
  V  V6  1  0.120  0.373  0.250  1.0
  V  V7  1  0.627  0.880  0.250  1.0
  O  O8  1  0.525  0.475  0.750  1.0
  O  O9  1  0.375  0.126  0.449  1.0
  O  O10  1  0.874  0.625  0.449  1.0
  O  O11  1  0.625  0.874  0.551  1.0
  O  O12  1  0.874  0.625  0.051  1.0
  O  O13  1  0.375  0.126  0.051  1.0
  O  O14  1  0.126  0.375  0.551  1.0
  O  O15  1  0.475  0.525  0.250  1.0
  O  O16  1  0.224  0.776  0.750  1.0
  O  O17  1  0.776  0.224  0.250  1.0
  O  O18  1  0.126  0.375  0.949  1.0
  O  O19  1  0.625  0.874  0.949  1.0
  F  F20  1  0.024  0.976  0.750  1.0
  F  F21  1  0.724  0.276  0.750  1.0
  F  F22  1  0.976  0.024  0.250  1.0
  F  F23  1  0.276  0.724  0.250  1.0
[/CIF]
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