The material structure described by VOF is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmmm space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form VO2F4 octahedra that share corners with eight equivalent V(2)O4F2 octahedra and edges with two equivalent V(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. In the second V site, V(2) is bonded to four equivalent O(1) and two equivalent F(1) atoms to form VO4F2 octahedra that share corners with eight equivalent V(1)O2F4 octahedra and edges with two equivalent V(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. O(1) is bonded in a trigonal planar geometry to one V(1) and two equivalent V(2) atoms. F(1) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent V(1) atoms. is represented by the CIF card [CIF]
data_VOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.766
_cell_length_b   4.766
_cell_length_c   3.083
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   95.046
_symmetry_Int_Tables_number   1
_cell_volume   69.755
_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  0.000  0.000  0.000  1.0
  V  V1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.300  0.300  0.000  1.0
  O  O3  1  0.700  0.700  0.000  1.0
  F  F4  1  0.196  0.804  0.500  1.0
  F  F5  1  0.804  0.196  0.500  1.0
[/CIF]
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The material structure described by VOF is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmmm space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form VO2F4 octahedra that share corners with eight equivalent V(2)O4F2 octahedra and edges with two equivalent V(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. In the second V site, V(2) is bonded to four equivalent O(1) and two equivalent F(1) atoms to form VO4F2 octahedra that share corners with eight equivalent V(1)O2F4 octahedra and edges with two equivalent V(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. O(1) is bonded in a trigonal planar geometry to one V(1) and two equivalent V(2) atoms. F(1) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent V(1) atoms. is represented by the CIF card [CIF]
data_VOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.766
_cell_length_b   4.766
_cell_length_c   3.083
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   95.046
_symmetry_Int_Tables_number   1
_cell_volume   69.755
_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  0.000  0.000  0.000  1.0
  V  V1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.300  0.300  0.000  1.0
  O  O3  1  0.700  0.700  0.000  1.0
  F  F4  1  0.196  0.804  0.500  1.0
  F  F5  1  0.804  0.196  0.500  1.0
[/CIF]
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