The material structure described by V6O11F is Rutile-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(2), one O(3), two equivalent O(1), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent V(4)O4F2 octahedra, corners with six equivalent V(2)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the second V site, V(2) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with two equivalent V(3)O5F octahedra, corners with six equivalent V(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the third V site, V(3) is bonded to one O(6), four equivalent O(4), and one F(1) atom to form VO5F octahedra that share corners with four equivalent V(4)O4F2 octahedra, corners with four equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-50°. In the fourth V site, V(4) is bonded to two equivalent O(5), two equivalent O(6), and two equivalent F(1) atoms to form VO4F2 octahedra that share corners with four equivalent V(3)O5F octahedra, corners with four equivalent V(1)O6 octahedra, and edges with two equivalent V(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-50°. There are six 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) and two equivalent V(2) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent V(2) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent V(3) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(4) and two equivalent V(1) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one V(3) and two equivalent V(4) atoms. F(1) is bonded in a distorted T-shaped geometry to one V(3) and two equivalent V(4) atoms. is represented by the CIF file [CIF]
data_V6O11F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.331
_cell_length_b   10.331
_cell_length_c   2.938
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   142.687
_symmetry_Int_Tables_number   1
_cell_volume   190.079
_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  0.999  0.665  0.000  1.0
  V  V1  1  0.166  0.500  0.500  1.0
  V  V2  1  0.500  0.166  0.500  1.0
  V  V3  1  0.665  0.999  0.000  1.0
  V  V4  1  0.318  0.318  0.000  1.0
  V  V5  1  0.849  0.849  0.500  1.0
  O  O6  1  0.066  0.601  0.500  1.0
  O  O7  1  0.696  0.363  0.000  1.0
  O  O8  1  0.303  0.971  0.000  1.0
  O  O9  1  0.971  0.303  0.000  1.0
  O  O10  1  0.601  0.066  0.500  1.0
  O  O11  1  0.271  0.401  0.500  1.0
  O  O12  1  0.730  0.931  0.500  1.0
  O  O13  1  0.401  0.271  0.500  1.0
  O  O14  1  0.363  0.696  0.000  1.0
  O  O15  1  0.036  0.036  0.000  1.0
  O  O16  1  0.931  0.730  0.500  1.0
  F  F17  1  0.632  0.632  0.000  1.0
[/CIF]
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The material structure described by V6O11F is Rutile-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(2), one O(3), two equivalent O(1), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent V(4)O4F2 octahedra, corners with six equivalent V(2)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the second V site, V(2) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with two equivalent V(3)O5F octahedra, corners with six equivalent V(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the third V site, V(3) is bonded to one O(6), four equivalent O(4), and one F(1) atom to form VO5F octahedra that share corners with four equivalent V(4)O4F2 octahedra, corners with four equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-50°. In the fourth V site, V(4) is bonded to two equivalent O(5), two equivalent O(6), and two equivalent F(1) atoms to form VO4F2 octahedra that share corners with four equivalent V(3)O5F octahedra, corners with four equivalent V(1)O6 octahedra, and edges with two equivalent V(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-50°. There are six 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) and two equivalent V(2) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent V(2) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent V(3) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(4) and two equivalent V(1) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one V(3) and two equivalent V(4) atoms. F(1) is bonded in a distorted T-shaped geometry to one V(3) and two equivalent V(4) atoms. is represented by the CIF file [CIF]
data_V6O11F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.331
_cell_length_b   10.331
_cell_length_c   2.938
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   142.687
_symmetry_Int_Tables_number   1
_cell_volume   190.079
_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  0.999  0.665  0.000  1.0
  V  V1  1  0.166  0.500  0.500  1.0
  V  V2  1  0.500  0.166  0.500  1.0
  V  V3  1  0.665  0.999  0.000  1.0
  V  V4  1  0.318  0.318  0.000  1.0
  V  V5  1  0.849  0.849  0.500  1.0
  O  O6  1  0.066  0.601  0.500  1.0
  O  O7  1  0.696  0.363  0.000  1.0
  O  O8  1  0.303  0.971  0.000  1.0
  O  O9  1  0.971  0.303  0.000  1.0
  O  O10  1  0.601  0.066  0.500  1.0
  O  O11  1  0.271  0.401  0.500  1.0
  O  O12  1  0.730  0.931  0.500  1.0
  O  O13  1  0.401  0.271  0.500  1.0
  O  O14  1  0.363  0.696  0.000  1.0
  O  O15  1  0.036  0.036  0.000  1.0
  O  O16  1  0.931  0.730  0.500  1.0
  F  F17  1  0.632  0.632  0.000  1.0
[/CIF]
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