The compound described by V2O3F is Hydrophilite-derived structured and crystallizes in the orthorhombic Amm2 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(4), two equivalent O(2), one F(1), and one F(2) atom to form VO4F2 octahedra that share corners with four equivalent V(3)O5F octahedra, corners with four equivalent V(4)O5F octahedra,  an edgeedge with one V(1)O4F2 octahedra, and  an edgeedge with one V(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent F(2) atoms to form VO4F2 octahedra that share corners with eight equivalent V(4)O5F octahedra and edges with two equivalent V(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. In the third V site, V(3) is bonded to one O(4), four equivalent O(2), and one F(1) atom to form distorted VO5F octahedra that share corners with eight equivalent V(1)O4F2 octahedra and edges with two equivalent V(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 48-50°. In the fourth V site, V(4) is bonded to one O(1), two equivalent O(2), two equivalent O(3), and one F(2) atom to form distorted VO5F octahedra that share corners with four equivalent V(1)O4F2 octahedra, corners with four equivalent V(2)O4F2 octahedra,  an edgeedge with one V(3)O5F octahedra, and  an edgeedge with one V(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-52°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one V(4) atom. In the second O site, O(2) is bonded in a 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 trigonal planar geometry to one V(2) and two equivalent V(4) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(3) and two equivalent V(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one V(3) and two equivalent V(1) atoms. In the second F site, F(2) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one V(4) atom. is represented by the CIF file [CIF]
data_V2O3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.600
_cell_length_b   4.600
_cell_length_c   8.928
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   94.002
_symmetry_Int_Tables_number   1
_cell_volume   188.500
_cell_formula_units_Z   3
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  0.999  0.001  0.668  1.0
  V  V1  1  0.999  0.001  0.332  1.0
  V  V2  1  0.988  0.012  0.000  1.0
  V  V3  1  0.452  0.548  0.500  1.0
  V  V4  1  0.539  0.461  0.834  1.0
  V  V5  1  0.539  0.461  0.166  1.0
  O  O6  1  0.804  0.196  0.165  1.0
  O  O7  1  0.804  0.196  0.835  1.0
  O  O8  1  0.301  0.307  0.666  1.0
  O  O9  1  0.301  0.307  0.334  1.0
  O  O10  1  0.304  0.303  0.000  1.0
  O  O11  1  0.693  0.699  0.666  1.0
  O  O12  1  0.693  0.699  0.334  1.0
  O  O13  1  0.697  0.696  0.000  1.0
  O  O14  1  0.191  0.809  0.500  1.0
  F  F15  1  0.800  0.200  0.500  1.0
  F  F16  1  0.199  0.801  0.832  1.0
  F  F17  1  0.199  0.801  0.168  1.0
[/CIF]
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The compound described by V2O3F is Hydrophilite-derived structured and crystallizes in the orthorhombic Amm2 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(4), two equivalent O(2), one F(1), and one F(2) atom to form VO4F2 octahedra that share corners with four equivalent V(3)O5F octahedra, corners with four equivalent V(4)O5F octahedra,  an edgeedge with one V(1)O4F2 octahedra, and  an edgeedge with one V(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent F(2) atoms to form VO4F2 octahedra that share corners with eight equivalent V(4)O5F octahedra and edges with two equivalent V(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. In the third V site, V(3) is bonded to one O(4), four equivalent O(2), and one F(1) atom to form distorted VO5F octahedra that share corners with eight equivalent V(1)O4F2 octahedra and edges with two equivalent V(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 48-50°. In the fourth V site, V(4) is bonded to one O(1), two equivalent O(2), two equivalent O(3), and one F(2) atom to form distorted VO5F octahedra that share corners with four equivalent V(1)O4F2 octahedra, corners with four equivalent V(2)O4F2 octahedra,  an edgeedge with one V(3)O5F octahedra, and  an edgeedge with one V(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-52°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one V(4) atom. In the second O site, O(2) is bonded in a 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 trigonal planar geometry to one V(2) and two equivalent V(4) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(3) and two equivalent V(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one V(3) and two equivalent V(1) atoms. In the second F site, F(2) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one V(4) atom. is represented by the CIF file [CIF]
data_V2O3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.600
_cell_length_b   4.600
_cell_length_c   8.928
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   94.002
_symmetry_Int_Tables_number   1
_cell_volume   188.500
_cell_formula_units_Z   3
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  0.999  0.001  0.668  1.0
  V  V1  1  0.999  0.001  0.332  1.0
  V  V2  1  0.988  0.012  0.000  1.0
  V  V3  1  0.452  0.548  0.500  1.0
  V  V4  1  0.539  0.461  0.834  1.0
  V  V5  1  0.539  0.461  0.166  1.0
  O  O6  1  0.804  0.196  0.165  1.0
  O  O7  1  0.804  0.196  0.835  1.0
  O  O8  1  0.301  0.307  0.666  1.0
  O  O9  1  0.301  0.307  0.334  1.0
  O  O10  1  0.304  0.303  0.000  1.0
  O  O11  1  0.693  0.699  0.666  1.0
  O  O12  1  0.693  0.699  0.334  1.0
  O  O13  1  0.697  0.696  0.000  1.0
  O  O14  1  0.191  0.809  0.500  1.0
  F  F15  1  0.800  0.200  0.500  1.0
  F  F16  1  0.199  0.801  0.832  1.0
  F  F17  1  0.199  0.801  0.168  1.0
[/CIF]
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