The material structure described by V2O3F is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmmm space group. There are five inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form VO4F2 octahedra that share corners with two equivalent V(3)O4F2 octahedra, corners with two equivalent V(4)O6 octahedra, corners with four equivalent V(2)O5F octahedra, and edges with two equivalent V(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the second V site, V(2) is bonded to one O(1), four equivalent O(3), and one F(1) atom to form VO5F octahedra that share corners with four equivalent V(1)O4F2 octahedra, corners with four equivalent V(5)O4F2 octahedra, and edges with two equivalent V(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the third V site, V(3) is bonded to four equivalent O(2) and two equivalent F(2) atoms to form VO4F2 octahedra that share corners with four equivalent V(1)O4F2 octahedra, corners with four equivalent V(5)O4F2 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the fourth V site, V(4) is bonded to two equivalent O(4) 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 47-48°. In the fifth V site, V(5) is bonded to two equivalent O(3); two O(4,4); and two F(2,2) atoms to form VO4F2 octahedra that share corners with two equivalent V(3)O4F2 octahedra, corners with two equivalent V(4)O6 octahedra, corners with four equivalent V(2)O5F octahedra, and edges with two equivalent V(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. There are five 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 trigonal planar geometry to one V(5) and two equivalent V(2) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(4) and two equivalent V(5) atoms. In the fifth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(4) and two equivalent V(5) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent V(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one V(3) and two equivalent V(5) atoms. In the third F site, F(2) is bonded in a distorted trigonal planar geometry to one V(3) and two equivalent V(5) atoms. is represented by the CIF card [CIF]
data_V2O3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.330
_cell_length_b   7.330
_cell_length_c   6.419
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   130.631
_symmetry_Int_Tables_number   1
_cell_volume   261.739
_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  0.757  0.757  0.000  1.0
  V  V1  1  0.243  0.243  0.000  1.0
  V  V2  1  0.234  0.766  0.000  1.0
  V  V3  1  0.766  0.234  0.000  1.0
  V  V4  1  0.000  0.000  0.500  1.0
  V  V5  1  0.500  0.500  0.500  1.0
  V  V6  1  0.000  0.500  0.500  1.0
  V  V7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.903  0.097  0.000  1.0
  O  O9  1  0.254  0.254  0.704  1.0
  O  O10  1  0.746  0.746  0.704  1.0
  O  O11  1  0.500  0.000  0.809  1.0
  O  O12  1  0.746  0.746  0.296  1.0
  O  O13  1  0.254  0.254  0.296  1.0
  O  O14  1  0.000  0.500  0.809  1.0
  O  O15  1  0.352  0.648  0.500  1.0
  O  O16  1  0.097  0.903  0.000  1.0
  O  O17  1  0.648  0.352  0.500  1.0
  O  O18  1  0.000  0.500  0.191  1.0
  O  O19  1  0.500  0.000  0.191  1.0
  F  F20  1  0.399  0.601  0.000  1.0
  F  F21  1  0.601  0.399  0.000  1.0
  F  F22  1  0.851  0.149  0.500  1.0
  F  F23  1  0.149  0.851  0.500  1.0
[/CIF]
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The material structure described by V2O3F is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmmm space group. There are five inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form VO4F2 octahedra that share corners with two equivalent V(3)O4F2 octahedra, corners with two equivalent V(4)O6 octahedra, corners with four equivalent V(2)O5F octahedra, and edges with two equivalent V(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the second V site, V(2) is bonded to one O(1), four equivalent O(3), and one F(1) atom to form VO5F octahedra that share corners with four equivalent V(1)O4F2 octahedra, corners with four equivalent V(5)O4F2 octahedra, and edges with two equivalent V(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the third V site, V(3) is bonded to four equivalent O(2) and two equivalent F(2) atoms to form VO4F2 octahedra that share corners with four equivalent V(1)O4F2 octahedra, corners with four equivalent V(5)O4F2 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the fourth V site, V(4) is bonded to two equivalent O(4) 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 47-48°. In the fifth V site, V(5) is bonded to two equivalent O(3); two O(4,4); and two F(2,2) atoms to form VO4F2 octahedra that share corners with two equivalent V(3)O4F2 octahedra, corners with two equivalent V(4)O6 octahedra, corners with four equivalent V(2)O5F octahedra, and edges with two equivalent V(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. There are five 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 trigonal planar geometry to one V(5) and two equivalent V(2) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(4) and two equivalent V(5) atoms. In the fifth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(4) and two equivalent V(5) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent V(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one V(3) and two equivalent V(5) atoms. In the third F site, F(2) is bonded in a distorted trigonal planar geometry to one V(3) and two equivalent V(5) atoms. is represented by the CIF card [CIF]
data_V2O3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.330
_cell_length_b   7.330
_cell_length_c   6.419
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   130.631
_symmetry_Int_Tables_number   1
_cell_volume   261.739
_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  0.757  0.757  0.000  1.0
  V  V1  1  0.243  0.243  0.000  1.0
  V  V2  1  0.234  0.766  0.000  1.0
  V  V3  1  0.766  0.234  0.000  1.0
  V  V4  1  0.000  0.000  0.500  1.0
  V  V5  1  0.500  0.500  0.500  1.0
  V  V6  1  0.000  0.500  0.500  1.0
  V  V7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.903  0.097  0.000  1.0
  O  O9  1  0.254  0.254  0.704  1.0
  O  O10  1  0.746  0.746  0.704  1.0
  O  O11  1  0.500  0.000  0.809  1.0
  O  O12  1  0.746  0.746  0.296  1.0
  O  O13  1  0.254  0.254  0.296  1.0
  O  O14  1  0.000  0.500  0.809  1.0
  O  O15  1  0.352  0.648  0.500  1.0
  O  O16  1  0.097  0.903  0.000  1.0
  O  O17  1  0.648  0.352  0.500  1.0
  O  O18  1  0.000  0.500  0.191  1.0
  O  O19  1  0.500  0.000  0.191  1.0
  F  F20  1  0.399  0.601  0.000  1.0
  F  F21  1  0.601  0.399  0.000  1.0
  F  F22  1  0.851  0.149  0.500  1.0
  F  F23  1  0.149  0.851  0.500  1.0
[/CIF]
.