The structure described by Ba2V2F11 crystallizes in the trigonal P3_2 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one F(1), one F(11), one F(2), one F(3), one F(5), one F(6), one F(7), one F(8), and two equivalent F(4) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one F(1), one F(2), one F(3), one F(4), one F(5), one F(7), one F(8), and one F(9) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(6), and one F(9) atom to form a mixture of corner and edge-sharing VF6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second V site, V(2) is bonded to one F(1), one F(10), one F(11), one F(6), one F(8), and one F(9) atom to form a mixture of corner and edge-sharing VF6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are eleven inequivalent F sites. In the first F site, F(11) is bonded in a distorted single-bond geometry to one Ba(1) and one V(2) atom. In the second F site, F(1) is bonded in a distorted water-like geometry to one Ba(1), one Ba(2), one V(1), and one V(2) atom. In the third F site, F(2) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one V(1) atom. In the fourth F site, F(3) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one V(1) atom. In the fifth F site, F(4) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one V(1) atom. In the sixth F site, F(5) is bonded in a bent 120 degrees geometry to one Ba(1) and one Ba(2) atom. In the seventh F site, F(6) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one V(1), and one V(2) atom. In the eighth F site, F(7) is bonded in a bent 120 degrees geometry to one Ba(1) and one Ba(2) atom. In the ninth F site, F(8) is bonded in a single-bond geometry to one Ba(1), one Ba(2), and one V(2) atom. In the tenth F site, F(9) is bonded in a distorted water-like geometry to one Ba(2), one V(1), and one V(2) atom. In the eleventh F site, F(10) is bonded in a single-bond geometry to one V(2) atom. is represented by the CIF card [CIF]
data_Ba2V2F11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.849
_cell_length_b   7.849
_cell_length_c   14.388
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   767.605
_cell_formula_units_Z   3
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
  Ba  Ba0  1  0.585  0.171  0.656  1.0
  Ba  Ba1  1  0.154  0.459  0.810  1.0
  Ba  Ba2  1  0.586  0.415  0.989  1.0
  Ba  Ba3  1  0.541  0.695  0.476  1.0
  Ba  Ba4  1  0.305  0.846  0.143  1.0
  Ba  Ba5  1  0.829  0.414  0.322  1.0
  V  V6  1  0.634  0.973  0.887  1.0
  V  V7  1  0.847  0.775  0.727  1.0
  V  V8  1  0.225  0.072  0.394  1.0
  V  V9  1  0.339  0.366  0.220  1.0
  V  V10  1  0.928  0.153  0.061  1.0
  V  V11  1  0.027  0.661  0.553  1.0
  F  F12  1  0.657  0.061  0.028  1.0
  F  F13  1  0.516  0.717  0.941  1.0
  F  F14  1  0.404  0.343  0.362  1.0
  F  F15  1  0.111  0.503  0.489  1.0
  F  F16  1  0.522  0.277  0.182  1.0
  F  F17  1  0.959  0.606  0.174  1.0
  F  F18  1  0.497  0.607  0.155  1.0
  F  F19  1  0.394  0.354  0.841  1.0
  F  F20  1  0.756  0.478  0.516  1.0
  F  F21  1  0.204  0.287  0.092  1.0
  F  F22  1  0.393  0.889  0.822  1.0
  F  F23  1  0.939  0.596  0.695  1.0
  F  F24  1  0.331  0.051  0.009  1.0
  F  F25  1  0.984  0.397  0.014  1.0
  F  F26  1  0.720  0.669  0.342  1.0
  F  F27  1  0.283  0.799  0.608  1.0
  F  F28  1  0.924  0.093  0.923  1.0
  F  F29  1  0.083  0.796  0.425  1.0
  F  F30  1  0.017  0.101  0.406  1.0
  F  F31  1  0.949  0.280  0.676  1.0
  F  F32  1  0.084  0.983  0.740  1.0
  F  F33  1  0.603  0.587  0.681  1.0
  F  F34  1  0.413  0.016  0.348  1.0
  F  F35  1  0.169  0.076  0.256  1.0
  F  F36  1  0.713  0.917  0.759  1.0
  F  F37  1  0.723  0.244  0.849  1.0
  F  F38  1  0.201  0.484  0.274  1.0
  F  F39  1  0.823  0.689  0.848  1.0
  F  F40  1  0.866  0.177  0.181  1.0
  F  F41  1  0.899  0.916  0.073  1.0
  F  F42  1  0.646  0.041  0.508  1.0
  F  F43  1  0.907  0.831  0.589  1.0
  F  F44  1  0.311  0.134  0.515  1.0
[/CIF]
.
The structure described by Ba2V2F11 crystallizes in the trigonal P3_2 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one F(1), one F(11), one F(2), one F(3), one F(5), one F(6), one F(7), one F(8), and two equivalent F(4) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one F(1), one F(2), one F(3), one F(4), one F(5), one F(7), one F(8), and one F(9) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(6), and one F(9) atom to form a mixture of corner and edge-sharing VF6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second V site, V(2) is bonded to one F(1), one F(10), one F(11), one F(6), one F(8), and one F(9) atom to form a mixture of corner and edge-sharing VF6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are eleven inequivalent F sites. In the first F site, F(11) is bonded in a distorted single-bond geometry to one Ba(1) and one V(2) atom. In the second F site, F(1) is bonded in a distorted water-like geometry to one Ba(1), one Ba(2), one V(1), and one V(2) atom. In the third F site, F(2) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one V(1) atom. In the fourth F site, F(3) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one V(1) atom. In the fifth F site, F(4) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one V(1) atom. In the sixth F site, F(5) is bonded in a bent 120 degrees geometry to one Ba(1) and one Ba(2) atom. In the seventh F site, F(6) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one V(1), and one V(2) atom. In the eighth F site, F(7) is bonded in a bent 120 degrees geometry to one Ba(1) and one Ba(2) atom. In the ninth F site, F(8) is bonded in a single-bond geometry to one Ba(1), one Ba(2), and one V(2) atom. In the tenth F site, F(9) is bonded in a distorted water-like geometry to one Ba(2), one V(1), and one V(2) atom. In the eleventh F site, F(10) is bonded in a single-bond geometry to one V(2) atom. is represented by the CIF card [CIF]
data_Ba2V2F11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.849
_cell_length_b   7.849
_cell_length_c   14.388
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   767.605
_cell_formula_units_Z   3
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
  Ba  Ba0  1  0.585  0.171  0.656  1.0
  Ba  Ba1  1  0.154  0.459  0.810  1.0
  Ba  Ba2  1  0.586  0.415  0.989  1.0
  Ba  Ba3  1  0.541  0.695  0.476  1.0
  Ba  Ba4  1  0.305  0.846  0.143  1.0
  Ba  Ba5  1  0.829  0.414  0.322  1.0
  V  V6  1  0.634  0.973  0.887  1.0
  V  V7  1  0.847  0.775  0.727  1.0
  V  V8  1  0.225  0.072  0.394  1.0
  V  V9  1  0.339  0.366  0.220  1.0
  V  V10  1  0.928  0.153  0.061  1.0
  V  V11  1  0.027  0.661  0.553  1.0
  F  F12  1  0.657  0.061  0.028  1.0
  F  F13  1  0.516  0.717  0.941  1.0
  F  F14  1  0.404  0.343  0.362  1.0
  F  F15  1  0.111  0.503  0.489  1.0
  F  F16  1  0.522  0.277  0.182  1.0
  F  F17  1  0.959  0.606  0.174  1.0
  F  F18  1  0.497  0.607  0.155  1.0
  F  F19  1  0.394  0.354  0.841  1.0
  F  F20  1  0.756  0.478  0.516  1.0
  F  F21  1  0.204  0.287  0.092  1.0
  F  F22  1  0.393  0.889  0.822  1.0
  F  F23  1  0.939  0.596  0.695  1.0
  F  F24  1  0.331  0.051  0.009  1.0
  F  F25  1  0.984  0.397  0.014  1.0
  F  F26  1  0.720  0.669  0.342  1.0
  F  F27  1  0.283  0.799  0.608  1.0
  F  F28  1  0.924  0.093  0.923  1.0
  F  F29  1  0.083  0.796  0.425  1.0
  F  F30  1  0.017  0.101  0.406  1.0
  F  F31  1  0.949  0.280  0.676  1.0
  F  F32  1  0.084  0.983  0.740  1.0
  F  F33  1  0.603  0.587  0.681  1.0
  F  F34  1  0.413  0.016  0.348  1.0
  F  F35  1  0.169  0.076  0.256  1.0
  F  F36  1  0.713  0.917  0.759  1.0
  F  F37  1  0.723  0.244  0.849  1.0
  F  F38  1  0.201  0.484  0.274  1.0
  F  F39  1  0.823  0.689  0.848  1.0
  F  F40  1  0.866  0.177  0.181  1.0
  F  F41  1  0.899  0.916  0.073  1.0
  F  F42  1  0.646  0.041  0.508  1.0
  F  F43  1  0.907  0.831  0.589  1.0
  F  F44  1  0.311  0.134  0.515  1.0
[/CIF]
.