The crystal structure described by Ba2Ni2AlF11 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 10-coordinate geometry to one F(1), one F(11), one F(2), one F(3), one F(4), one F(5), one F(7), one F(9), and two equivalent F(8) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(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 NiF6 octahedra that share corners with two equivalent Al(1)F6 octahedra,  a cornercorner with one Ni(2)F5 square pyramid, and  an edgeedge with one Ni(2)F5 square pyramid. The corner-sharing octahedral tilt angles range from 48-52°. In the second Ni site, Ni(2) is bonded to one F(1), one F(10), one F(6), one F(8), and one F(9) atom to form distorted NiF5 square pyramids that share  a cornercorner with one Ni(1)F6 octahedra, corners with two equivalent Al(1)F6 octahedra, and  an edgeedge with one Ni(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 56-66°. 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 corners with two equivalent Ni(1)F6 octahedra and corners with two equivalent Ni(2)F5 square pyramids. The corner-sharing octahedral tilt angles range from 48-52°. There are eleven inequivalent F sites. In the first F site, F(10) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Ni(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), one Ba(2), 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 Ni(1), and one Ni(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 Ni(1) atom. In the fifth F site, F(3) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Ni(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 Ni(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 Ni(1), and one Ni(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 1-coordinate geometry to one Ba(1), two equivalent Ba(2), and one Ni(2) atom. In the eleventh F site, F(9) is bonded in a 3-coordinate geometry to one Ba(2), one Ni(1), one Ni(2), and one Al(1) atom. is represented by the CIF card [CIF]
data_Ba2AlNi2F11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.390
_cell_length_b   7.390
_cell_length_c   14.224
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   672.816
_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  0.874  0.859  0.667  1.0
  Ba  Ba1  1  0.513  0.171  0.801  1.0
  Ba  Ba2  1  0.986  0.126  0.000  1.0
  Ba  Ba3  1  0.829  0.342  0.467  1.0
  Ba  Ba4  1  0.658  0.487  0.134  1.0
  Ba  Ba5  1  0.141  0.014  0.334  1.0
  Al  Al6  1  0.501  0.675  0.874  1.0
  Al  Al7  1  0.174  0.499  0.208  1.0
  Al  Al8  1  0.325  0.826  0.541  1.0
  Ni  Ni9  1  0.983  0.664  0.885  1.0
  Ni  Ni10  1  0.138  0.437  0.719  1.0
  Ni  Ni11  1  0.563  0.700  0.386  1.0
  Ni  Ni12  1  0.681  0.017  0.218  1.0
  Ni  Ni13  1  0.300  0.862  0.052  1.0
  Ni  Ni14  1  0.336  0.319  0.552  1.0
  F  F15  1  0.001  0.750  0.020  1.0
  F  F16  1  0.844  0.370  0.926  1.0
  F  F17  1  0.749  0.999  0.354  1.0
  F  F18  1  0.412  0.092  0.496  1.0
  F  F19  1  0.864  0.908  0.178  1.0
  F  F20  1  0.248  0.301  0.188  1.0
  F  F21  1  0.908  0.320  0.163  1.0
  F  F22  1  0.699  0.948  0.854  1.0
  F  F23  1  0.045  0.136  0.511  1.0
  F  F24  1  0.593  0.000  0.087  1.0
  F  F25  1  0.680  0.588  0.829  1.0
  F  F26  1  0.250  0.251  0.687  1.0
  F  F27  1  0.604  0.683  0.988  1.0
  F  F28  1  0.360  0.148  0.020  1.0
  F  F29  1  0.080  0.396  0.321  1.0
  F  F30  1  0.630  0.474  0.593  1.0
  F  F31  1  0.321  0.777  0.913  1.0
  F  F32  1  0.407  0.407  0.420  1.0
  F  F33  1  0.325  0.749  0.419  1.0
  F  F34  1  0.317  0.920  0.654  1.0
  F  F35  1  0.424  0.675  0.752  1.0
  F  F36  1  0.852  0.212  0.687  1.0
  F  F37  1  0.788  0.640  0.353  1.0
  F  F38  1  0.456  0.679  0.246  1.0
  F  F39  1  1.000  0.593  0.753  1.0
  F  F40  1  0.092  0.955  0.844  1.0
  F  F41  1  0.526  0.156  0.260  1.0
  F  F42  1  0.281  0.411  0.879  1.0
  F  F43  1  0.130  0.719  0.212  1.0
  F  F44  1  0.251  0.576  0.085  1.0
  F  F45  1  0.052  0.752  0.521  1.0
  F  F46  1  0.223  0.544  0.579  1.0
  F  F47  1  0.589  0.870  0.545  1.0
[/CIF]
.
The crystal structure described by Ba2Ni2AlF11 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 10-coordinate geometry to one F(1), one F(11), one F(2), one F(3), one F(4), one F(5), one F(7), one F(9), and two equivalent F(8) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(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 NiF6 octahedra that share corners with two equivalent Al(1)F6 octahedra,  a cornercorner with one Ni(2)F5 square pyramid, and  an edgeedge with one Ni(2)F5 square pyramid. The corner-sharing octahedral tilt angles range from 48-52°. In the second Ni site, Ni(2) is bonded to one F(1), one F(10), one F(6), one F(8), and one F(9) atom to form distorted NiF5 square pyramids that share  a cornercorner with one Ni(1)F6 octahedra, corners with two equivalent Al(1)F6 octahedra, and  an edgeedge with one Ni(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 56-66°. 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 corners with two equivalent Ni(1)F6 octahedra and corners with two equivalent Ni(2)F5 square pyramids. The corner-sharing octahedral tilt angles range from 48-52°. There are eleven inequivalent F sites. In the first F site, F(10) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Ni(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), one Ba(2), 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 Ni(1), and one Ni(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 Ni(1) atom. In the fifth F site, F(3) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Ni(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 Ni(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 Ni(1), and one Ni(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 1-coordinate geometry to one Ba(1), two equivalent Ba(2), and one Ni(2) atom. In the eleventh F site, F(9) is bonded in a 3-coordinate geometry to one Ba(2), one Ni(1), one Ni(2), and one Al(1) atom. is represented by the CIF card [CIF]
data_Ba2AlNi2F11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.390
_cell_length_b   7.390
_cell_length_c   14.224
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   672.816
_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  0.874  0.859  0.667  1.0
  Ba  Ba1  1  0.513  0.171  0.801  1.0
  Ba  Ba2  1  0.986  0.126  0.000  1.0
  Ba  Ba3  1  0.829  0.342  0.467  1.0
  Ba  Ba4  1  0.658  0.487  0.134  1.0
  Ba  Ba5  1  0.141  0.014  0.334  1.0
  Al  Al6  1  0.501  0.675  0.874  1.0
  Al  Al7  1  0.174  0.499  0.208  1.0
  Al  Al8  1  0.325  0.826  0.541  1.0
  Ni  Ni9  1  0.983  0.664  0.885  1.0
  Ni  Ni10  1  0.138  0.437  0.719  1.0
  Ni  Ni11  1  0.563  0.700  0.386  1.0
  Ni  Ni12  1  0.681  0.017  0.218  1.0
  Ni  Ni13  1  0.300  0.862  0.052  1.0
  Ni  Ni14  1  0.336  0.319  0.552  1.0
  F  F15  1  0.001  0.750  0.020  1.0
  F  F16  1  0.844  0.370  0.926  1.0
  F  F17  1  0.749  0.999  0.354  1.0
  F  F18  1  0.412  0.092  0.496  1.0
  F  F19  1  0.864  0.908  0.178  1.0
  F  F20  1  0.248  0.301  0.188  1.0
  F  F21  1  0.908  0.320  0.163  1.0
  F  F22  1  0.699  0.948  0.854  1.0
  F  F23  1  0.045  0.136  0.511  1.0
  F  F24  1  0.593  0.000  0.087  1.0
  F  F25  1  0.680  0.588  0.829  1.0
  F  F26  1  0.250  0.251  0.687  1.0
  F  F27  1  0.604  0.683  0.988  1.0
  F  F28  1  0.360  0.148  0.020  1.0
  F  F29  1  0.080  0.396  0.321  1.0
  F  F30  1  0.630  0.474  0.593  1.0
  F  F31  1  0.321  0.777  0.913  1.0
  F  F32  1  0.407  0.407  0.420  1.0
  F  F33  1  0.325  0.749  0.419  1.0
  F  F34  1  0.317  0.920  0.654  1.0
  F  F35  1  0.424  0.675  0.752  1.0
  F  F36  1  0.852  0.212  0.687  1.0
  F  F37  1  0.788  0.640  0.353  1.0
  F  F38  1  0.456  0.679  0.246  1.0
  F  F39  1  1.000  0.593  0.753  1.0
  F  F40  1  0.092  0.955  0.844  1.0
  F  F41  1  0.526  0.156  0.260  1.0
  F  F42  1  0.281  0.411  0.879  1.0
  F  F43  1  0.130  0.719  0.212  1.0
  F  F44  1  0.251  0.576  0.085  1.0
  F  F45  1  0.052  0.752  0.521  1.0
  F  F46  1  0.223  0.544  0.579  1.0
  F  F47  1  0.589  0.870  0.545  1.0
[/CIF]
.