The structure described by Ba5Al3F19 crystallizes in the tetragonal I4/m space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to one F(4), one F(5), one F(6), two equivalent F(1), two equivalent F(2), and four equivalent F(3) atoms. In the second Ba site, Ba(2) is bonded in a 11-coordinate geometry to one F(4), one F(6), one F(8), two equivalent F(2), two equivalent F(3), and four equivalent F(1) atoms. In the third Ba site, Ba(3) is bonded in a 8-coordinate geometry to four equivalent F(5) and four equivalent F(6) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in an octahedral geometry to one F(4), one F(5), two equivalent F(2), and two equivalent F(3) atoms. In the second Al site, Al(2) is bonded to one F(7), one F(8), and four equivalent F(1) atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedra are not tilted. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one Al(2) atom. In the second F site, F(6) is bonded to one Ba(1), one Ba(2), and two equivalent Ba(3) atoms to form a mixture of corner and edge-sharing FBa4 tetrahedra. In the third F site, F(7) is bonded in a linear geometry to two equivalent Al(2) atoms. In the fourth F site, F(8) is bonded in a linear geometry to four equivalent Ba(2) and two equivalent Al(2) atoms. In the fifth F site, F(2) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Al(1) atom. In the sixth F site, F(3) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one Al(1) atom. In the seventh F site, F(4) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Al(1) atom. In the eighth F site, F(5) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(3), and one Al(1) atom. is represented by the CIF card [CIF]
data_Ba5Al3F19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.150
_cell_length_b   11.150
_cell_length_c   11.150
_cell_angle_alpha   96.614
_cell_angle_beta   96.614
_cell_angle_gamma   140.321
_symmetry_Int_Tables_number   1
_cell_volume   832.533
_cell_formula_units_Z   2
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  0.759  0.084  0.844  1.0
  Ba  Ba1  1  0.241  0.916  0.156  1.0
  Ba  Ba2  1  0.916  0.759  0.675  1.0
  Ba  Ba3  1  0.084  0.241  0.325  1.0
  Ba  Ba4  1  0.285  0.443  0.728  1.0
  Ba  Ba5  1  0.715  0.557  0.272  1.0
  Ba  Ba6  1  0.557  0.285  0.842  1.0
  Ba  Ba7  1  0.443  0.715  0.158  1.0
  Ba  Ba8  1  0.750  0.250  0.500  1.0
  Ba  Ba9  1  0.250  0.750  0.500  1.0
  Al  Al10  1  0.324  0.158  0.483  1.0
  Al  Al11  1  0.676  0.842  0.517  1.0
  Al  Al12  1  0.842  0.324  0.166  1.0
  Al  Al13  1  0.158  0.676  0.834  1.0
  Al  Al14  1  0.247  0.247  0.000  1.0
  Al  Al15  1  0.753  0.753  0.000  1.0
  F  F16  1  0.691  0.630  0.839  1.0
  F  F17  1  0.790  0.852  0.161  1.0
  F  F18  1  0.852  0.691  0.062  1.0
  F  F19  1  0.630  0.790  0.938  1.0
  F  F20  1  0.309  0.370  0.161  1.0
  F  F21  1  0.210  0.148  0.839  1.0
  F  F22  1  0.148  0.309  0.938  1.0
  F  F23  1  0.370  0.210  0.062  1.0
  F  F24  1  0.573  0.366  0.604  1.0
  F  F25  1  0.762  0.969  0.396  1.0
  F  F26  1  0.969  0.573  0.207  1.0
  F  F27  1  0.366  0.762  0.793  1.0
  F  F28  1  0.427  0.634  0.396  1.0
  F  F29  1  0.238  0.031  0.604  1.0
  F  F30  1  0.031  0.427  0.793  1.0
  F  F31  1  0.634  0.238  0.207  1.0
  F  F32  1  0.919  0.055  0.641  1.0
  F  F33  1  0.414  0.278  0.359  1.0
  F  F34  1  0.278  0.919  0.864  1.0
  F  F35  1  0.055  0.414  0.136  1.0
  F  F36  1  0.081  0.945  0.359  1.0
  F  F37  1  0.586  0.722  0.641  1.0
  F  F38  1  0.722  0.081  0.136  1.0
  F  F39  1  0.945  0.586  0.864  1.0
  F  F40  1  0.264  0.265  0.529  1.0
  F  F41  1  0.736  0.735  0.471  1.0
  F  F42  1  0.735  0.264  0.999  1.0
  F  F43  1  0.265  0.736  0.001  1.0
  F  F44  1  0.618  0.950  0.568  1.0
  F  F45  1  0.382  0.050  0.432  1.0
  F  F46  1  0.050  0.618  0.668  1.0
  F  F47  1  0.950  0.382  0.332  1.0
  F  F48  1  0.116  0.421  0.537  1.0
  F  F49  1  0.884  0.579  0.463  1.0
  F  F50  1  0.579  0.116  0.696  1.0
  F  F51  1  0.421  0.884  0.304  1.0
  F  F52  1  0.000  0.000  0.000  1.0
  F  F53  1  0.500  0.500  0.000  1.0
[/CIF]
.
The structure described by Ba5Al3F19 crystallizes in the tetragonal I4/m space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to one F(4), one F(5), one F(6), two equivalent F(1), two equivalent F(2), and four equivalent F(3) atoms. In the second Ba site, Ba(2) is bonded in a 11-coordinate geometry to one F(4), one F(6), one F(8), two equivalent F(2), two equivalent F(3), and four equivalent F(1) atoms. In the third Ba site, Ba(3) is bonded in a 8-coordinate geometry to four equivalent F(5) and four equivalent F(6) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in an octahedral geometry to one F(4), one F(5), two equivalent F(2), and two equivalent F(3) atoms. In the second Al site, Al(2) is bonded to one F(7), one F(8), and four equivalent F(1) atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedra are not tilted. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one Al(2) atom. In the second F site, F(6) is bonded to one Ba(1), one Ba(2), and two equivalent Ba(3) atoms to form a mixture of corner and edge-sharing FBa4 tetrahedra. In the third F site, F(7) is bonded in a linear geometry to two equivalent Al(2) atoms. In the fourth F site, F(8) is bonded in a linear geometry to four equivalent Ba(2) and two equivalent Al(2) atoms. In the fifth F site, F(2) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Al(1) atom. In the sixth F site, F(3) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one Al(1) atom. In the seventh F site, F(4) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Al(1) atom. In the eighth F site, F(5) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(3), and one Al(1) atom. is represented by the CIF card [CIF]
data_Ba5Al3F19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.150
_cell_length_b   11.150
_cell_length_c   11.150
_cell_angle_alpha   96.614
_cell_angle_beta   96.614
_cell_angle_gamma   140.321
_symmetry_Int_Tables_number   1
_cell_volume   832.533
_cell_formula_units_Z   2
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  0.759  0.084  0.844  1.0
  Ba  Ba1  1  0.241  0.916  0.156  1.0
  Ba  Ba2  1  0.916  0.759  0.675  1.0
  Ba  Ba3  1  0.084  0.241  0.325  1.0
  Ba  Ba4  1  0.285  0.443  0.728  1.0
  Ba  Ba5  1  0.715  0.557  0.272  1.0
  Ba  Ba6  1  0.557  0.285  0.842  1.0
  Ba  Ba7  1  0.443  0.715  0.158  1.0
  Ba  Ba8  1  0.750  0.250  0.500  1.0
  Ba  Ba9  1  0.250  0.750  0.500  1.0
  Al  Al10  1  0.324  0.158  0.483  1.0
  Al  Al11  1  0.676  0.842  0.517  1.0
  Al  Al12  1  0.842  0.324  0.166  1.0
  Al  Al13  1  0.158  0.676  0.834  1.0
  Al  Al14  1  0.247  0.247  0.000  1.0
  Al  Al15  1  0.753  0.753  0.000  1.0
  F  F16  1  0.691  0.630  0.839  1.0
  F  F17  1  0.790  0.852  0.161  1.0
  F  F18  1  0.852  0.691  0.062  1.0
  F  F19  1  0.630  0.790  0.938  1.0
  F  F20  1  0.309  0.370  0.161  1.0
  F  F21  1  0.210  0.148  0.839  1.0
  F  F22  1  0.148  0.309  0.938  1.0
  F  F23  1  0.370  0.210  0.062  1.0
  F  F24  1  0.573  0.366  0.604  1.0
  F  F25  1  0.762  0.969  0.396  1.0
  F  F26  1  0.969  0.573  0.207  1.0
  F  F27  1  0.366  0.762  0.793  1.0
  F  F28  1  0.427  0.634  0.396  1.0
  F  F29  1  0.238  0.031  0.604  1.0
  F  F30  1  0.031  0.427  0.793  1.0
  F  F31  1  0.634  0.238  0.207  1.0
  F  F32  1  0.919  0.055  0.641  1.0
  F  F33  1  0.414  0.278  0.359  1.0
  F  F34  1  0.278  0.919  0.864  1.0
  F  F35  1  0.055  0.414  0.136  1.0
  F  F36  1  0.081  0.945  0.359  1.0
  F  F37  1  0.586  0.722  0.641  1.0
  F  F38  1  0.722  0.081  0.136  1.0
  F  F39  1  0.945  0.586  0.864  1.0
  F  F40  1  0.264  0.265  0.529  1.0
  F  F41  1  0.736  0.735  0.471  1.0
  F  F42  1  0.735  0.264  0.999  1.0
  F  F43  1  0.265  0.736  0.001  1.0
  F  F44  1  0.618  0.950  0.568  1.0
  F  F45  1  0.382  0.050  0.432  1.0
  F  F46  1  0.050  0.618  0.668  1.0
  F  F47  1  0.950  0.382  0.332  1.0
  F  F48  1  0.116  0.421  0.537  1.0
  F  F49  1  0.884  0.579  0.463  1.0
  F  F50  1  0.579  0.116  0.696  1.0
  F  F51  1  0.421  0.884  0.304  1.0
  F  F52  1  0.000  0.000  0.000  1.0
  F  F53  1  0.500  0.500  0.000  1.0
[/CIF]
.