The compound described by V6O11F is Hydrophilite-derived structured and crystallizes in the orthorhombic Amm2 space group. There are six 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(6)O5F octahedra, corners with two equivalent V(2)O6 octahedra, corners with four equivalent V(3)O6 octahedra, and edges with two equivalent V(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-51°. In the second V site, V(2) is bonded to one O(1), one O(6), and four equivalent O(3) atoms to form VO6 octahedra that share corners with two equivalent V(1)O4F2 octahedra, corners with two equivalent V(5)O6 octahedra, corners with four equivalent V(4)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the third V site, V(3) is bonded to one O(5), one O(8), and four equivalent O(2) atoms to form VO6 octahedra that share corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(5)O6 octahedra, corners with four equivalent V(1)O4F2 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. In the fourth V site, V(4) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent V(6)O5F octahedra, corners with two equivalent V(3)O6 octahedra, corners with four equivalent V(2)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. In the fifth V site, V(5) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with four equivalent V(6)O5F octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. In the sixth V site, V(6) is bonded to one O(7), four equivalent O(4), and one F(1) atom to form distorted VO5F octahedra that share corners with two equivalent V(1)O4F2 octahedra, corners with two equivalent V(4)O6 octahedra, corners with four equivalent V(5)O6 octahedra, and edges with two equivalent V(6)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-50°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 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) and two equivalent V(3) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(4) and two equivalent V(2) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(5) and two equivalent V(6) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(3) and two equivalent V(4) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent V(5) atoms. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one V(6) and two equivalent V(4) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one V(3) and two equivalent V(5) atoms. F(1) is bonded in a distorted T-shaped geometry to one V(6) and two equivalent V(1) atoms. is represented by the CIF card [CIF]
data_V6O11F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.474
_cell_length_b   10.474
_cell_length_c   2.946
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   144.019
_symmetry_Int_Tables_number   1
_cell_volume   189.889
_cell_formula_units_Z   1
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  0.009  0.991  0.000  1.0
  V  V1  1  0.171  0.829  0.500  1.0
  V  V2  1  0.499  0.501  0.500  1.0
  V  V3  1  0.661  0.339  0.000  1.0
  V  V4  1  0.335  0.665  0.000  1.0
  V  V5  1  0.821  0.179  0.500  1.0
  O  O6  1  0.069  0.931  0.500  1.0
  O  O7  1  0.708  0.710  0.000  1.0
  O  O8  1  0.290  0.292  0.000  1.0
  O  O9  1  0.971  0.635  0.000  1.0
  O  O10  1  0.640  0.971  0.000  1.0
  O  O11  1  0.597  0.403  0.500  1.0
  O  O12  1  0.269  0.731  0.500  1.0
  O  O13  1  0.731  0.269  0.500  1.0
  O  O14  1  0.399  0.601  0.500  1.0
  O  O15  1  0.365  0.029  0.000  1.0
  O  O16  1  0.029  0.360  0.000  1.0
  F  F17  1  0.935  0.065  0.500  1.0
[/CIF]
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The compound described by V6O11F is Hydrophilite-derived structured and crystallizes in the orthorhombic Amm2 space group. There are six 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(6)O5F octahedra, corners with two equivalent V(2)O6 octahedra, corners with four equivalent V(3)O6 octahedra, and edges with two equivalent V(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-51°. In the second V site, V(2) is bonded to one O(1), one O(6), and four equivalent O(3) atoms to form VO6 octahedra that share corners with two equivalent V(1)O4F2 octahedra, corners with two equivalent V(5)O6 octahedra, corners with four equivalent V(4)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the third V site, V(3) is bonded to one O(5), one O(8), and four equivalent O(2) atoms to form VO6 octahedra that share corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(5)O6 octahedra, corners with four equivalent V(1)O4F2 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. In the fourth V site, V(4) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent V(6)O5F octahedra, corners with two equivalent V(3)O6 octahedra, corners with four equivalent V(2)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. In the fifth V site, V(5) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with four equivalent V(6)O5F octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. In the sixth V site, V(6) is bonded to one O(7), four equivalent O(4), and one F(1) atom to form distorted VO5F octahedra that share corners with two equivalent V(1)O4F2 octahedra, corners with two equivalent V(4)O6 octahedra, corners with four equivalent V(5)O6 octahedra, and edges with two equivalent V(6)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-50°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 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) and two equivalent V(3) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(4) and two equivalent V(2) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(5) and two equivalent V(6) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(3) and two equivalent V(4) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent V(5) atoms. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one V(6) and two equivalent V(4) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one V(3) and two equivalent V(5) atoms. F(1) is bonded in a distorted T-shaped geometry to one V(6) and two equivalent V(1) atoms. is represented by the CIF card [CIF]
data_V6O11F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.474
_cell_length_b   10.474
_cell_length_c   2.946
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   144.019
_symmetry_Int_Tables_number   1
_cell_volume   189.889
_cell_formula_units_Z   1
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  0.009  0.991  0.000  1.0
  V  V1  1  0.171  0.829  0.500  1.0
  V  V2  1  0.499  0.501  0.500  1.0
  V  V3  1  0.661  0.339  0.000  1.0
  V  V4  1  0.335  0.665  0.000  1.0
  V  V5  1  0.821  0.179  0.500  1.0
  O  O6  1  0.069  0.931  0.500  1.0
  O  O7  1  0.708  0.710  0.000  1.0
  O  O8  1  0.290  0.292  0.000  1.0
  O  O9  1  0.971  0.635  0.000  1.0
  O  O10  1  0.640  0.971  0.000  1.0
  O  O11  1  0.597  0.403  0.500  1.0
  O  O12  1  0.269  0.731  0.500  1.0
  O  O13  1  0.731  0.269  0.500  1.0
  O  O14  1  0.399  0.601  0.500  1.0
  O  O15  1  0.365  0.029  0.000  1.0
  O  O16  1  0.029  0.360  0.000  1.0
  F  F17  1  0.935  0.065  0.500  1.0
[/CIF]
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