The crystal structure described by Ba2Cu2AlF11 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 Cu sites. In the first Cu site, Cu(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 distorted CuF6 octahedra that share corners with two equivalent Al(1)F6 octahedra,  a cornercorner with one Cu(2)F5 square pyramid, and  an edgeedge with one Cu(2)F5 square pyramid. The corner-sharing octahedral tilt angles range from 51-63°. In the second Cu site, Cu(2) is bonded to one F(1), one F(10), one F(6), one F(8), and one F(9) atom to form CuF5 square pyramids that share  a cornercorner with one Cu(1)F6 octahedra, corners with two equivalent Al(1)F6 octahedra, and  an edgeedge with one Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 53-63°. 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 corners with two equivalent Cu(1)F6 octahedra and corners with two equivalent Cu(2)F5 square pyramids. The corner-sharing octahedral tilt angles range from 51-63°. There are eleven inequivalent F sites. In the first F site, F(10) is bonded in a bent 120 degrees geometry to one Ba(1), one Cu(2), and one Al(1) atom. In the second F site, F(11) is bonded in a distorted single-bond geometry to one Ba(1) and one Al(1) atom. In the third F site, F(1) is bonded in a distorted water-like geometry to one Ba(1), one Ba(2), one Cu(1), and one Cu(2) atom. In the fourth F site, F(2) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Cu(1) atom. In the fifth F site, F(3) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one Cu(1), and one Al(1) atom. In the sixth F site, F(4) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one Cu(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 distorted bent 120 degrees geometry to one Ba(1), one Cu(1), and one Cu(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 single-bond geometry to one Ba(1), one Ba(2), and one Cu(2) atom. In the eleventh F site, F(9) is bonded in a 4-coordinate geometry to one Ba(2), one Cu(1), one Cu(2), and one Al(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2AlCu2F11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.414
_cell_length_b   7.414
_cell_length_c   14.377
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   684.354
_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  0.536  0.188  0.667  1.0
  Ba  Ba1  1  0.173  0.495  0.801  1.0
  Ba  Ba2  1  0.651  0.464  1.000  1.0
  Ba  Ba3  1  0.505  0.678  0.467  1.0
  Ba  Ba4  1  0.322  0.827  0.134  1.0
  Ba  Ba5  1  0.812  0.349  0.333  1.0
  Al  Al6  1  0.168  0.008  0.872  1.0
  Al  Al7  1  0.840  0.832  0.205  1.0
  Al  Al8  1  0.992  0.160  0.539  1.0
  Cu  Cu9  1  0.647  0.995  0.890  1.0
  Cu  Cu10  1  0.792  0.769  0.722  1.0
  Cu  Cu11  1  0.231  0.023  0.389  1.0
  Cu  Cu12  1  0.349  0.353  0.224  1.0
  Cu  Cu13  1  0.977  0.208  0.056  1.0
  Cu  Cu14  1  0.005  0.651  0.557  1.0
  F  F15  1  0.682  0.091  0.022  1.0
  F  F16  1  0.505  0.711  0.929  1.0
  F  F17  1  0.409  0.318  0.355  1.0
  F  F18  1  0.090  0.415  0.484  1.0
  F  F19  1  0.522  0.245  0.182  1.0
  F  F20  1  0.905  0.627  0.178  1.0
  F  F21  1  0.585  0.675  0.150  1.0
  F  F22  1  0.373  0.278  0.845  1.0
  F  F23  1  0.723  0.478  0.515  1.0
  F  F24  1  0.262  0.340  0.094  1.0
  F  F25  1  0.325  0.910  0.817  1.0
  F  F26  1  0.909  0.591  0.689  1.0
  F  F27  1  0.291  0.026  0.982  1.0
  F  F28  1  0.029  0.479  0.021  1.0
  F  F29  1  0.735  0.709  0.315  1.0
  F  F30  1  0.289  0.794  0.595  1.0
  F  F31  1  0.013  0.123  0.909  1.0
  F  F32  1  0.078  0.738  0.427  1.0
  F  F33  1  1.000  0.067  0.418  1.0
  F  F34  1  0.974  0.265  0.648  1.0
  F  F35  1  0.068  0.000  0.752  1.0
  F  F36  1  0.521  0.550  0.688  1.0
  F  F37  1  0.450  0.971  0.354  1.0
  F  F38  1  0.110  0.987  0.243  1.0
  F  F39  1  0.660  0.922  0.760  1.0
  F  F40  1  0.755  0.277  0.848  1.0
  F  F41  1  0.206  0.495  0.262  1.0
  F  F42  1  0.954  0.745  0.888  1.0
  F  F43  1  0.790  0.046  0.221  1.0
  F  F44  1  0.933  0.932  0.085  1.0
  F  F45  1  0.722  0.095  0.512  1.0
  F  F46  1  0.877  0.890  0.576  1.0
  F  F47  1  0.255  0.210  0.555  1.0
[/CIF]
.
The crystal structure described by Ba2Cu2AlF11 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 Cu sites. In the first Cu site, Cu(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 distorted CuF6 octahedra that share corners with two equivalent Al(1)F6 octahedra,  a cornercorner with one Cu(2)F5 square pyramid, and  an edgeedge with one Cu(2)F5 square pyramid. The corner-sharing octahedral tilt angles range from 51-63°. In the second Cu site, Cu(2) is bonded to one F(1), one F(10), one F(6), one F(8), and one F(9) atom to form CuF5 square pyramids that share  a cornercorner with one Cu(1)F6 octahedra, corners with two equivalent Al(1)F6 octahedra, and  an edgeedge with one Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 53-63°. 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 corners with two equivalent Cu(1)F6 octahedra and corners with two equivalent Cu(2)F5 square pyramids. The corner-sharing octahedral tilt angles range from 51-63°. There are eleven inequivalent F sites. In the first F site, F(10) is bonded in a bent 120 degrees geometry to one Ba(1), one Cu(2), and one Al(1) atom. In the second F site, F(11) is bonded in a distorted single-bond geometry to one Ba(1) and one Al(1) atom. In the third F site, F(1) is bonded in a distorted water-like geometry to one Ba(1), one Ba(2), one Cu(1), and one Cu(2) atom. In the fourth F site, F(2) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Cu(1) atom. In the fifth F site, F(3) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one Cu(1), and one Al(1) atom. In the sixth F site, F(4) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one Cu(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 distorted bent 120 degrees geometry to one Ba(1), one Cu(1), and one Cu(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 single-bond geometry to one Ba(1), one Ba(2), and one Cu(2) atom. In the eleventh F site, F(9) is bonded in a 4-coordinate geometry to one Ba(2), one Cu(1), one Cu(2), and one Al(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2AlCu2F11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.414
_cell_length_b   7.414
_cell_length_c   14.377
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   684.354
_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  0.536  0.188  0.667  1.0
  Ba  Ba1  1  0.173  0.495  0.801  1.0
  Ba  Ba2  1  0.651  0.464  1.000  1.0
  Ba  Ba3  1  0.505  0.678  0.467  1.0
  Ba  Ba4  1  0.322  0.827  0.134  1.0
  Ba  Ba5  1  0.812  0.349  0.333  1.0
  Al  Al6  1  0.168  0.008  0.872  1.0
  Al  Al7  1  0.840  0.832  0.205  1.0
  Al  Al8  1  0.992  0.160  0.539  1.0
  Cu  Cu9  1  0.647  0.995  0.890  1.0
  Cu  Cu10  1  0.792  0.769  0.722  1.0
  Cu  Cu11  1  0.231  0.023  0.389  1.0
  Cu  Cu12  1  0.349  0.353  0.224  1.0
  Cu  Cu13  1  0.977  0.208  0.056  1.0
  Cu  Cu14  1  0.005  0.651  0.557  1.0
  F  F15  1  0.682  0.091  0.022  1.0
  F  F16  1  0.505  0.711  0.929  1.0
  F  F17  1  0.409  0.318  0.355  1.0
  F  F18  1  0.090  0.415  0.484  1.0
  F  F19  1  0.522  0.245  0.182  1.0
  F  F20  1  0.905  0.627  0.178  1.0
  F  F21  1  0.585  0.675  0.150  1.0
  F  F22  1  0.373  0.278  0.845  1.0
  F  F23  1  0.723  0.478  0.515  1.0
  F  F24  1  0.262  0.340  0.094  1.0
  F  F25  1  0.325  0.910  0.817  1.0
  F  F26  1  0.909  0.591  0.689  1.0
  F  F27  1  0.291  0.026  0.982  1.0
  F  F28  1  0.029  0.479  0.021  1.0
  F  F29  1  0.735  0.709  0.315  1.0
  F  F30  1  0.289  0.794  0.595  1.0
  F  F31  1  0.013  0.123  0.909  1.0
  F  F32  1  0.078  0.738  0.427  1.0
  F  F33  1  1.000  0.067  0.418  1.0
  F  F34  1  0.974  0.265  0.648  1.0
  F  F35  1  0.068  0.000  0.752  1.0
  F  F36  1  0.521  0.550  0.688  1.0
  F  F37  1  0.450  0.971  0.354  1.0
  F  F38  1  0.110  0.987  0.243  1.0
  F  F39  1  0.660  0.922  0.760  1.0
  F  F40  1  0.755  0.277  0.848  1.0
  F  F41  1  0.206  0.495  0.262  1.0
  F  F42  1  0.954  0.745  0.888  1.0
  F  F43  1  0.790  0.046  0.221  1.0
  F  F44  1  0.933  0.932  0.085  1.0
  F  F45  1  0.722  0.095  0.512  1.0
  F  F46  1  0.877  0.890  0.576  1.0
  F  F47  1  0.255  0.210  0.555  1.0
[/CIF]
.