The material described by Ba2V2AlF11 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 12-coordinate geometry to one F(1), one F(10), one F(11), one F(2), one F(3), one F(6), one F(7), one F(8), two equivalent F(4), and two equivalent F(5) 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 VF6 octahedra that share  a cornercorner with one V(2)F6 octahedra, corners with two equivalent Al(1)F6 octahedra, and  an edgeedge with one V(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-66°. 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 VF6 octahedra that share  a cornercorner with one V(1)F6 octahedra,  a cornercorner with one Al(1)F6 octahedra,  an edgeedge with one V(1)F6 octahedra, and  an edgeedge with one Al(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 57-66°. Al(1) is bonded to one F(10), one F(11), one F(3), one F(5), one F(7), and one F(9) atom to form AlF6 octahedra that share  a cornercorner with one V(2)F6 octahedra, corners with two equivalent V(1)F6 octahedra, and  an edgeedge with one V(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. There are eleven inequivalent F sites. In the first F site, F(10) is bonded in a distorted water-like geometry to one Ba(1), one V(2), and one Al(1) atom. In the second F site, F(11) is bonded in a 3-coordinate geometry to one Ba(1), one V(2), and one Al(1) atom. In the third F site, F(1) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one V(1), and one V(2) atom. In the fourth F site, F(2) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(2), and one V(1) atom. In the fifth F site, F(3) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one V(1), and one Al(1) atom. In the sixth F site, F(4) is bonded in a 4-coordinate geometry to one Ba(2), two equivalent Ba(1), and one V(1) atom. In the seventh F site, F(5) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one Al(1) atom. In the eighth F site, F(6) is bonded in a 3-coordinate geometry to one Ba(1), one V(1), and one V(2) atom. In the ninth F site, F(7) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Al(1) atom. In the tenth F site, F(8) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one V(2) atom. In the eleventh F site, F(9) is bonded in a 3-coordinate geometry to one Ba(2), one V(1), one V(2), and one Al(1) atom. is represented by the CIF file [CIF]
data_Ba2AlV2F11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.481
_cell_length_b   7.481
_cell_length_c   14.570
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   706.160
_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  0.871  0.859  0.666  1.0
  Ba  Ba1  1  0.519  0.164  0.798  1.0
  Ba  Ba2  1  0.989  0.129  0.999  1.0
  Ba  Ba3  1  0.836  0.354  0.465  1.0
  Ba  Ba4  1  0.646  0.481  0.131  1.0
  Ba  Ba5  1  0.141  0.011  0.332  1.0
  Al  Al6  1  0.500  0.678  0.874  1.0
  Al  Al7  1  0.178  0.500  0.207  1.0
  Al  Al8  1  0.322  0.822  0.541  1.0
  V  V9  1  0.979  0.665  0.884  1.0
  V  V10  1  0.143  0.437  0.725  1.0
  V  V11  1  0.563  0.706  0.391  1.0
  V  V12  1  0.686  0.021  0.217  1.0
  V  V13  1  0.294  0.857  0.058  1.0
  V  V14  1  0.335  0.314  0.550  1.0
  F  F15  1  0.985  0.741  0.023  1.0
  F  F16  1  0.838  0.358  0.923  1.0
  F  F17  1  0.756  0.015  0.356  1.0
  F  F18  1  0.420  0.090  0.500  1.0
  F  F19  1  0.871  0.901  0.178  1.0
  F  F20  1  0.242  0.299  0.194  1.0
  F  F21  1  0.910  0.330  0.166  1.0
  F  F22  1  0.701  0.943  0.861  1.0
  F  F23  1  0.030  0.129  0.511  1.0
  F  F24  1  0.608  0.007  0.081  1.0
  F  F25  1  0.670  0.580  0.833  1.0
  F  F26  1  0.259  0.244  0.689  1.0
  F  F27  1  0.583  0.667  0.986  1.0
  F  F28  1  0.356  0.155  0.024  1.0
  F  F29  1  0.084  0.417  0.320  1.0
  F  F30  1  0.642  0.481  0.590  1.0
  F  F31  1  0.322  0.784  0.913  1.0
  F  F32  1  0.399  0.392  0.414  1.0
  F  F33  1  0.310  0.751  0.420  1.0
  F  F34  1  0.333  0.916  0.653  1.0
  F  F35  1  0.441  0.690  0.754  1.0
  F  F36  1  0.845  0.201  0.690  1.0
  F  F37  1  0.799  0.644  0.357  1.0
  F  F38  1  0.461  0.678  0.246  1.0
  F  F39  1  0.993  0.601  0.747  1.0
  F  F40  1  0.099  0.970  0.844  1.0
  F  F41  1  0.519  0.162  0.257  1.0
  F  F42  1  0.265  0.425  0.871  1.0
  F  F43  1  0.160  0.735  0.204  1.0
  F  F44  1  0.249  0.559  0.087  1.0
  F  F45  1  0.057  0.758  0.527  1.0
  F  F46  1  0.216  0.539  0.579  1.0
  F  F47  1  0.575  0.840  0.537  1.0
[/CIF]
.
The material described by Ba2V2AlF11 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 12-coordinate geometry to one F(1), one F(10), one F(11), one F(2), one F(3), one F(6), one F(7), one F(8), two equivalent F(4), and two equivalent F(5) 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 VF6 octahedra that share  a cornercorner with one V(2)F6 octahedra, corners with two equivalent Al(1)F6 octahedra, and  an edgeedge with one V(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-66°. 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 VF6 octahedra that share  a cornercorner with one V(1)F6 octahedra,  a cornercorner with one Al(1)F6 octahedra,  an edgeedge with one V(1)F6 octahedra, and  an edgeedge with one Al(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 57-66°. Al(1) is bonded to one F(10), one F(11), one F(3), one F(5), one F(7), and one F(9) atom to form AlF6 octahedra that share  a cornercorner with one V(2)F6 octahedra, corners with two equivalent V(1)F6 octahedra, and  an edgeedge with one V(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. There are eleven inequivalent F sites. In the first F site, F(10) is bonded in a distorted water-like geometry to one Ba(1), one V(2), and one Al(1) atom. In the second F site, F(11) is bonded in a 3-coordinate geometry to one Ba(1), one V(2), and one Al(1) atom. In the third F site, F(1) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one V(1), and one V(2) atom. In the fourth F site, F(2) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(2), and one V(1) atom. In the fifth F site, F(3) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one V(1), and one Al(1) atom. In the sixth F site, F(4) is bonded in a 4-coordinate geometry to one Ba(2), two equivalent Ba(1), and one V(1) atom. In the seventh F site, F(5) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one Al(1) atom. In the eighth F site, F(6) is bonded in a 3-coordinate geometry to one Ba(1), one V(1), and one V(2) atom. In the ninth F site, F(7) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Al(1) atom. In the tenth F site, F(8) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one V(2) atom. In the eleventh F site, F(9) is bonded in a 3-coordinate geometry to one Ba(2), one V(1), one V(2), and one Al(1) atom. is represented by the CIF file [CIF]
data_Ba2AlV2F11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.481
_cell_length_b   7.481
_cell_length_c   14.570
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   706.160
_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  0.871  0.859  0.666  1.0
  Ba  Ba1  1  0.519  0.164  0.798  1.0
  Ba  Ba2  1  0.989  0.129  0.999  1.0
  Ba  Ba3  1  0.836  0.354  0.465  1.0
  Ba  Ba4  1  0.646  0.481  0.131  1.0
  Ba  Ba5  1  0.141  0.011  0.332  1.0
  Al  Al6  1  0.500  0.678  0.874  1.0
  Al  Al7  1  0.178  0.500  0.207  1.0
  Al  Al8  1  0.322  0.822  0.541  1.0
  V  V9  1  0.979  0.665  0.884  1.0
  V  V10  1  0.143  0.437  0.725  1.0
  V  V11  1  0.563  0.706  0.391  1.0
  V  V12  1  0.686  0.021  0.217  1.0
  V  V13  1  0.294  0.857  0.058  1.0
  V  V14  1  0.335  0.314  0.550  1.0
  F  F15  1  0.985  0.741  0.023  1.0
  F  F16  1  0.838  0.358  0.923  1.0
  F  F17  1  0.756  0.015  0.356  1.0
  F  F18  1  0.420  0.090  0.500  1.0
  F  F19  1  0.871  0.901  0.178  1.0
  F  F20  1  0.242  0.299  0.194  1.0
  F  F21  1  0.910  0.330  0.166  1.0
  F  F22  1  0.701  0.943  0.861  1.0
  F  F23  1  0.030  0.129  0.511  1.0
  F  F24  1  0.608  0.007  0.081  1.0
  F  F25  1  0.670  0.580  0.833  1.0
  F  F26  1  0.259  0.244  0.689  1.0
  F  F27  1  0.583  0.667  0.986  1.0
  F  F28  1  0.356  0.155  0.024  1.0
  F  F29  1  0.084  0.417  0.320  1.0
  F  F30  1  0.642  0.481  0.590  1.0
  F  F31  1  0.322  0.784  0.913  1.0
  F  F32  1  0.399  0.392  0.414  1.0
  F  F33  1  0.310  0.751  0.420  1.0
  F  F34  1  0.333  0.916  0.653  1.0
  F  F35  1  0.441  0.690  0.754  1.0
  F  F36  1  0.845  0.201  0.690  1.0
  F  F37  1  0.799  0.644  0.357  1.0
  F  F38  1  0.461  0.678  0.246  1.0
  F  F39  1  0.993  0.601  0.747  1.0
  F  F40  1  0.099  0.970  0.844  1.0
  F  F41  1  0.519  0.162  0.257  1.0
  F  F42  1  0.265  0.425  0.871  1.0
  F  F43  1  0.160  0.735  0.204  1.0
  F  F44  1  0.249  0.559  0.087  1.0
  F  F45  1  0.057  0.758  0.527  1.0
  F  F46  1  0.216  0.539  0.579  1.0
  F  F47  1  0.575  0.840  0.537  1.0
[/CIF]
.