The crystal structure described by CaV6O11F crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(6), one O(7), one O(9), two equivalent O(3), and two equivalent F(1) atoms. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(3), one O(4), and one O(7) atom to form a mixture of distorted corner and edge-sharing VO5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 46-60°. In the second V site, V(2) is bonded to one O(1), one O(10), one O(11), one O(2), one O(5), and one O(8) atom to form VO6 octahedra that share corners with four equivalent V(4)O6 octahedra, corners with four equivalent V(6)O5 trigonal bipyramids,  an edgeedge with one V(3)O4F trigonal bipyramid, and  an edgeedge with one V(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-49°. In the third V site, V(3) is bonded to one O(11), one O(2), one O(6), one O(9), and one F(1) atom to form distorted VO4F trigonal bipyramids that share corners with three equivalent V(6)O5 trigonal bipyramids and  an edgeedge with one V(2)O6 octahedra. In the fourth V site, V(4) is bonded to one O(1), one O(10), one O(4), one O(5), one O(7), and one O(8) atom to form VO6 octahedra that share corners with four equivalent V(2)O6 octahedra, corners with four equivalent V(1)O5 trigonal bipyramids, and  an edgeedge with one V(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-49°. In the fifth V site, V(5) is bonded in a 6-coordinate geometry to one O(4), one O(7), one O(9), two equivalent O(3), and one F(1) atom. In the sixth V site, V(6) is bonded to one O(11), one O(2), one O(5), one O(6), and one O(8) atom to form VO5 trigonal bipyramids that share corners with four equivalent V(2)O6 octahedra, corners with three equivalent V(3)O4F trigonal bipyramids, and  an edgeedge with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-57°. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(4) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(2), one V(3), and one V(6) atom. In the third O site, O(3) is bonded to two equivalent Ca(1), one V(1), and two equivalent V(5) atoms to form distorted corner-sharing OCa2V3 trigonal bipyramids. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(1), one V(4), and one V(5) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(2), one V(4), and one V(6) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Ca(1), one V(3), and one V(6) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one V(1), one V(4), and one V(5) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one V(2), one V(4), and one V(6) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one V(3), and one V(5) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one V(2), one V(3), and one V(6) atom. F(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca(1), one V(3), and one V(5) atom. is represented by the CIF file [CIF]
data_CaV6O11F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.611
_cell_length_b   4.734
_cell_length_c   10.727
_cell_angle_alpha   90.325
_cell_angle_beta   79.886
_cell_angle_gamma   87.876
_symmetry_Int_Tables_number   1
_cell_volume   230.342
_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
  Ca  Ca0  1  0.158  0.447  0.806  1.0
  V  V1  1  0.090  0.936  0.062  1.0
  V  V2  1  0.971  0.915  0.327  1.0
  V  V3  1  0.916  0.002  0.602  1.0
  V  V4  1  0.538  0.435  0.172  1.0
  V  V5  1  0.646  0.924  0.900  1.0
  V  V6  1  0.398  0.407  0.449  1.0
  O  O7  1  0.219  0.702  0.179  1.0
  O  O8  1  0.135  0.729  0.472  1.0
  O  O9  1  0.194  0.923  0.885  1.0
  O  O10  1  0.430  0.194  0.043  1.0
  O  O11  1  0.287  0.220  0.315  1.0
  O  O12  1  0.213  0.262  0.610  1.0
  O  O13  1  0.774  0.663  0.025  1.0
  O  O14  1  0.666  0.617  0.311  1.0
  O  O15  1  0.791  0.759  0.738  1.0
  O  O16  1  0.855  0.143  0.178  1.0
  O  O17  1  0.721  0.145  0.469  1.0
  F  F18  1  0.664  0.271  0.792  1.0
[/CIF]
.
The crystal structure described by CaV6O11F crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(6), one O(7), one O(9), two equivalent O(3), and two equivalent F(1) atoms. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(3), one O(4), and one O(7) atom to form a mixture of distorted corner and edge-sharing VO5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 46-60°. In the second V site, V(2) is bonded to one O(1), one O(10), one O(11), one O(2), one O(5), and one O(8) atom to form VO6 octahedra that share corners with four equivalent V(4)O6 octahedra, corners with four equivalent V(6)O5 trigonal bipyramids,  an edgeedge with one V(3)O4F trigonal bipyramid, and  an edgeedge with one V(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-49°. In the third V site, V(3) is bonded to one O(11), one O(2), one O(6), one O(9), and one F(1) atom to form distorted VO4F trigonal bipyramids that share corners with three equivalent V(6)O5 trigonal bipyramids and  an edgeedge with one V(2)O6 octahedra. In the fourth V site, V(4) is bonded to one O(1), one O(10), one O(4), one O(5), one O(7), and one O(8) atom to form VO6 octahedra that share corners with four equivalent V(2)O6 octahedra, corners with four equivalent V(1)O5 trigonal bipyramids, and  an edgeedge with one V(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-49°. In the fifth V site, V(5) is bonded in a 6-coordinate geometry to one O(4), one O(7), one O(9), two equivalent O(3), and one F(1) atom. In the sixth V site, V(6) is bonded to one O(11), one O(2), one O(5), one O(6), and one O(8) atom to form VO5 trigonal bipyramids that share corners with four equivalent V(2)O6 octahedra, corners with three equivalent V(3)O4F trigonal bipyramids, and  an edgeedge with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-57°. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(4) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(2), one V(3), and one V(6) atom. In the third O site, O(3) is bonded to two equivalent Ca(1), one V(1), and two equivalent V(5) atoms to form distorted corner-sharing OCa2V3 trigonal bipyramids. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(1), one V(4), and one V(5) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(2), one V(4), and one V(6) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Ca(1), one V(3), and one V(6) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one V(1), one V(4), and one V(5) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one V(2), one V(4), and one V(6) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one V(3), and one V(5) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one V(2), one V(3), and one V(6) atom. F(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca(1), one V(3), and one V(5) atom. is represented by the CIF file [CIF]
data_CaV6O11F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.611
_cell_length_b   4.734
_cell_length_c   10.727
_cell_angle_alpha   90.325
_cell_angle_beta   79.886
_cell_angle_gamma   87.876
_symmetry_Int_Tables_number   1
_cell_volume   230.342
_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
  Ca  Ca0  1  0.158  0.447  0.806  1.0
  V  V1  1  0.090  0.936  0.062  1.0
  V  V2  1  0.971  0.915  0.327  1.0
  V  V3  1  0.916  0.002  0.602  1.0
  V  V4  1  0.538  0.435  0.172  1.0
  V  V5  1  0.646  0.924  0.900  1.0
  V  V6  1  0.398  0.407  0.449  1.0
  O  O7  1  0.219  0.702  0.179  1.0
  O  O8  1  0.135  0.729  0.472  1.0
  O  O9  1  0.194  0.923  0.885  1.0
  O  O10  1  0.430  0.194  0.043  1.0
  O  O11  1  0.287  0.220  0.315  1.0
  O  O12  1  0.213  0.262  0.610  1.0
  O  O13  1  0.774  0.663  0.025  1.0
  O  O14  1  0.666  0.617  0.311  1.0
  O  O15  1  0.791  0.759  0.738  1.0
  O  O16  1  0.855  0.143  0.178  1.0
  O  O17  1  0.721  0.145  0.469  1.0
  F  F18  1  0.664  0.271  0.792  1.0
[/CIF]
.