The crystal structure described by CaV6O11F crystallizes in the triclinic P1 space group. Ca(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(5), and one O(8) atom. 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), one O(7), and one F(1) atom to form VO5F octahedra that share  an edgeedge with one V(3)O5F octahedra and  an edgeedge with one V(2)O6 octahedra. 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 distorted edge-sharing VO6 octahedra. In the third V site, V(3) is bonded to one O(11), one O(2), one O(3), one O(6), one O(9), and one F(1) atom to form VO5F octahedra that share  an edgeedge with one V(1)O5F octahedra and  an edgeedge with one V(2)O6 octahedra. In the fourth V site, V(4) is bonded in a 5-coordinate geometry to one O(10), one O(4), one O(5), one O(7), and one O(8) atom. In the fifth V site, V(5) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(6), one O(7), and one O(9) atom. In the sixth V site, V(6) is bonded in a 5-coordinate geometry to one O(11), one O(5), one O(6), one O(8), and one O(9) atom. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Ca(1), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Ca(1), one V(2), and one V(3) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one V(1), one V(3), and one V(5) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one V(1), one V(4), and one V(5) atom. In the fifth O site, O(5) is bonded to one Ca(1), one V(2), one V(4), and one V(6) atom to form a mixture of distorted corner and face-sharing OCaV3 trigonal pyramids. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one V(3), one V(5), and one V(6) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one V(1), one V(4), and one V(5) atom. In the eighth O site, O(8) is bonded to one Ca(1), one V(2), one V(4), and one V(6) atom to form a mixture of distorted corner and face-sharing OCaV3 trigonal pyramids. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one V(3), one V(5), and one V(6) 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 T-shaped geometry to one V(2), one V(3), and one V(6) atom. F(1) is bonded in a water-like geometry to one V(1) and one V(3) atom. is represented by the CIF file [CIF]
data_CaV6O11F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.275
_cell_length_b   5.278
_cell_length_c   8.667
_cell_angle_alpha   89.907
_cell_angle_beta   89.851
_cell_angle_gamma   106.192
_symmetry_Int_Tables_number   1
_cell_volume   231.755
_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  0.314  0.686  0.333  1.0
  V  V1  1  0.997  0.001  0.008  1.0
  V  V2  1  0.973  0.027  0.334  1.0
  V  V3  1  0.999  0.003  0.659  1.0
  V  V4  1  0.592  0.405  0.139  1.0
  V  V5  1  0.392  0.608  0.833  1.0
  V  V6  1  0.594  0.408  0.528  1.0
  O  O7  1  0.141  0.857  0.148  1.0
  O  O8  1  0.144  0.859  0.518  1.0
  O  O9  1  0.176  0.824  0.833  1.0
  O  O10  1  0.289  0.333  0.993  1.0
  O  O11  1  0.343  0.266  0.332  1.0
  O  O12  1  0.289  0.336  0.673  1.0
  O  O13  1  0.664  0.711  0.994  1.0
  O  O14  1  0.734  0.657  0.334  1.0
  O  O15  1  0.668  0.711  0.674  1.0
  O  O16  1  0.819  0.179  0.161  1.0
  O  O17  1  0.821  0.180  0.506  1.0
  F  F18  1  0.841  0.158  0.834  1.0
[/CIF]
.
The crystal structure described by CaV6O11F crystallizes in the triclinic P1 space group. Ca(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(5), and one O(8) atom. 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), one O(7), and one F(1) atom to form VO5F octahedra that share  an edgeedge with one V(3)O5F octahedra and  an edgeedge with one V(2)O6 octahedra. 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 distorted edge-sharing VO6 octahedra. In the third V site, V(3) is bonded to one O(11), one O(2), one O(3), one O(6), one O(9), and one F(1) atom to form VO5F octahedra that share  an edgeedge with one V(1)O5F octahedra and  an edgeedge with one V(2)O6 octahedra. In the fourth V site, V(4) is bonded in a 5-coordinate geometry to one O(10), one O(4), one O(5), one O(7), and one O(8) atom. In the fifth V site, V(5) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(6), one O(7), and one O(9) atom. In the sixth V site, V(6) is bonded in a 5-coordinate geometry to one O(11), one O(5), one O(6), one O(8), and one O(9) atom. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Ca(1), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Ca(1), one V(2), and one V(3) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one V(1), one V(3), and one V(5) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one V(1), one V(4), and one V(5) atom. In the fifth O site, O(5) is bonded to one Ca(1), one V(2), one V(4), and one V(6) atom to form a mixture of distorted corner and face-sharing OCaV3 trigonal pyramids. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one V(3), one V(5), and one V(6) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one V(1), one V(4), and one V(5) atom. In the eighth O site, O(8) is bonded to one Ca(1), one V(2), one V(4), and one V(6) atom to form a mixture of distorted corner and face-sharing OCaV3 trigonal pyramids. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one V(3), one V(5), and one V(6) 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 T-shaped geometry to one V(2), one V(3), and one V(6) atom. F(1) is bonded in a water-like geometry to one V(1) and one V(3) atom. is represented by the CIF file [CIF]
data_CaV6O11F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.275
_cell_length_b   5.278
_cell_length_c   8.667
_cell_angle_alpha   89.907
_cell_angle_beta   89.851
_cell_angle_gamma   106.192
_symmetry_Int_Tables_number   1
_cell_volume   231.755
_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  0.314  0.686  0.333  1.0
  V  V1  1  0.997  0.001  0.008  1.0
  V  V2  1  0.973  0.027  0.334  1.0
  V  V3  1  0.999  0.003  0.659  1.0
  V  V4  1  0.592  0.405  0.139  1.0
  V  V5  1  0.392  0.608  0.833  1.0
  V  V6  1  0.594  0.408  0.528  1.0
  O  O7  1  0.141  0.857  0.148  1.0
  O  O8  1  0.144  0.859  0.518  1.0
  O  O9  1  0.176  0.824  0.833  1.0
  O  O10  1  0.289  0.333  0.993  1.0
  O  O11  1  0.343  0.266  0.332  1.0
  O  O12  1  0.289  0.336  0.673  1.0
  O  O13  1  0.664  0.711  0.994  1.0
  O  O14  1  0.734  0.657  0.334  1.0
  O  O15  1  0.668  0.711  0.674  1.0
  O  O16  1  0.819  0.179  0.161  1.0
  O  O17  1  0.821  0.180  0.506  1.0
  F  F18  1  0.841  0.158  0.834  1.0
[/CIF]
.