The material described by Pb5Al3F19 crystallizes in the tetragonal I4/m space group. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one F(7), one F(8), and four equivalent F(4) atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedra are not tilted. In the second Al site, Al(2) is bonded in an octahedral geometry to one F(2), one F(3), two equivalent F(1), and two equivalent F(6) atoms. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to one F(3), one F(5), two equivalent F(4), and two equivalent F(6) atoms. In the second Pb site, Pb(2) is bonded in a 4-coordinate geometry to one F(3), one F(5), and two equivalent F(1) atoms. In the third Pb site, Pb(3) is bonded in a 4-coordinate geometry to four equivalent F(2) atoms. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Al(2) and one Pb(2) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to one Al(2) and two equivalent Pb(3) atoms. In the third F site, F(3) is bonded in a distorted single-bond geometry to one Al(2), one Pb(1), and one Pb(2) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to one Al(1) and one Pb(1) atom. In the fifth F site, F(8) is bonded in a linear geometry to two equivalent Al(1) atoms. In the sixth F site, F(5) is bonded in a 1-coordinate geometry to one Pb(1) and one Pb(2) atom. In the seventh F site, F(6) is bonded in a distorted single-bond geometry to one Al(2) and one Pb(1) atom. In the eighth F site, F(7) is bonded in a linear geometry to two equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_Al3Pb5F19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.877
_cell_length_b   10.877
_cell_length_c   10.877
_cell_angle_alpha   96.482
_cell_angle_beta   96.482
_cell_angle_gamma   140.736
_symmetry_Int_Tables_number   1
_cell_volume   767.136
_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
  Al  Al0  1  0.753  0.753  0.000  1.0
  Al  Al1  1  0.247  0.247  0.000  1.0
  Al  Al2  1  0.675  0.158  0.833  1.0
  Al  Al3  1  0.325  0.842  0.167  1.0
  Al  Al4  1  0.842  0.675  0.517  1.0
  Al  Al5  1  0.158  0.325  0.483  1.0
  Pb  Pb6  1  0.083  0.759  0.842  1.0
  Pb  Pb7  1  0.917  0.241  0.158  1.0
  Pb  Pb8  1  0.442  0.281  0.723  1.0
  Pb  Pb9  1  0.558  0.719  0.277  1.0
  Pb  Pb10  1  0.241  0.083  0.325  1.0
  Pb  Pb11  1  0.281  0.558  0.839  1.0
  Pb  Pb12  1  0.759  0.917  0.675  1.0
  Pb  Pb13  1  0.750  0.250  0.500  1.0
  Pb  Pb14  1  0.719  0.442  0.161  1.0
  Pb  Pb15  1  0.250  0.750  0.500  1.0
  F  F16  1  0.577  0.934  0.857  1.0
  F  F17  1  0.611  0.047  0.658  1.0
  F  F18  1  0.264  0.257  0.522  1.0
  F  F19  1  0.953  0.611  0.564  1.0
  F  F20  1  0.423  0.066  0.143  1.0
  F  F21  1  0.697  0.862  0.066  1.0
  F  F22  1  0.280  0.423  0.357  1.0
  F  F23  1  0.736  0.743  0.478  1.0
  F  F24  1  0.303  0.138  0.934  1.0
  F  F25  1  0.138  0.205  0.835  1.0
  F  F26  1  0.879  0.420  0.299  1.0
  F  F27  1  0.580  0.973  0.207  1.0
  F  F28  1  0.121  0.580  0.701  1.0
  F  F29  1  0.234  0.627  0.207  1.0
  F  F30  1  0.862  0.795  0.165  1.0
  F  F31  1  0.066  0.923  0.643  1.0
  F  F32  1  0.580  0.879  0.458  1.0
  F  F33  1  0.973  0.766  0.393  1.0
  F  F34  1  0.420  0.121  0.542  1.0
  F  F35  1  0.027  0.234  0.607  1.0
  F  F36  1  0.934  0.077  0.357  1.0
  F  F37  1  0.205  0.369  0.066  1.0
  F  F38  1  0.257  0.736  0.993  1.0
  F  F39  1  0.766  0.373  0.793  1.0
  F  F40  1  0.923  0.280  0.857  1.0
  F  F41  1  0.743  0.264  0.007  1.0
  F  F42  1  0.000  0.000  0.000  1.0
  F  F43  1  0.389  0.953  0.342  1.0
  F  F44  1  0.420  0.027  0.793  1.0
  F  F45  1  0.077  0.720  0.143  1.0
  F  F46  1  0.795  0.631  0.934  1.0
  F  F47  1  0.627  0.420  0.393  1.0
  F  F48  1  0.047  0.389  0.436  1.0
  F  F49  1  0.369  0.303  0.165  1.0
  F  F50  1  0.720  0.577  0.643  1.0
  F  F51  1  0.373  0.580  0.607  1.0
  F  F52  1  0.500  0.500  0.000  1.0
  F  F53  1  0.631  0.697  0.835  1.0
[/CIF]
.
The material described by Pb5Al3F19 crystallizes in the tetragonal I4/m space group. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one F(7), one F(8), and four equivalent F(4) atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedra are not tilted. In the second Al site, Al(2) is bonded in an octahedral geometry to one F(2), one F(3), two equivalent F(1), and two equivalent F(6) atoms. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to one F(3), one F(5), two equivalent F(4), and two equivalent F(6) atoms. In the second Pb site, Pb(2) is bonded in a 4-coordinate geometry to one F(3), one F(5), and two equivalent F(1) atoms. In the third Pb site, Pb(3) is bonded in a 4-coordinate geometry to four equivalent F(2) atoms. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Al(2) and one Pb(2) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to one Al(2) and two equivalent Pb(3) atoms. In the third F site, F(3) is bonded in a distorted single-bond geometry to one Al(2), one Pb(1), and one Pb(2) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to one Al(1) and one Pb(1) atom. In the fifth F site, F(8) is bonded in a linear geometry to two equivalent Al(1) atoms. In the sixth F site, F(5) is bonded in a 1-coordinate geometry to one Pb(1) and one Pb(2) atom. In the seventh F site, F(6) is bonded in a distorted single-bond geometry to one Al(2) and one Pb(1) atom. In the eighth F site, F(7) is bonded in a linear geometry to two equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_Al3Pb5F19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.877
_cell_length_b   10.877
_cell_length_c   10.877
_cell_angle_alpha   96.482
_cell_angle_beta   96.482
_cell_angle_gamma   140.736
_symmetry_Int_Tables_number   1
_cell_volume   767.136
_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
  Al  Al0  1  0.753  0.753  0.000  1.0
  Al  Al1  1  0.247  0.247  0.000  1.0
  Al  Al2  1  0.675  0.158  0.833  1.0
  Al  Al3  1  0.325  0.842  0.167  1.0
  Al  Al4  1  0.842  0.675  0.517  1.0
  Al  Al5  1  0.158  0.325  0.483  1.0
  Pb  Pb6  1  0.083  0.759  0.842  1.0
  Pb  Pb7  1  0.917  0.241  0.158  1.0
  Pb  Pb8  1  0.442  0.281  0.723  1.0
  Pb  Pb9  1  0.558  0.719  0.277  1.0
  Pb  Pb10  1  0.241  0.083  0.325  1.0
  Pb  Pb11  1  0.281  0.558  0.839  1.0
  Pb  Pb12  1  0.759  0.917  0.675  1.0
  Pb  Pb13  1  0.750  0.250  0.500  1.0
  Pb  Pb14  1  0.719  0.442  0.161  1.0
  Pb  Pb15  1  0.250  0.750  0.500  1.0
  F  F16  1  0.577  0.934  0.857  1.0
  F  F17  1  0.611  0.047  0.658  1.0
  F  F18  1  0.264  0.257  0.522  1.0
  F  F19  1  0.953  0.611  0.564  1.0
  F  F20  1  0.423  0.066  0.143  1.0
  F  F21  1  0.697  0.862  0.066  1.0
  F  F22  1  0.280  0.423  0.357  1.0
  F  F23  1  0.736  0.743  0.478  1.0
  F  F24  1  0.303  0.138  0.934  1.0
  F  F25  1  0.138  0.205  0.835  1.0
  F  F26  1  0.879  0.420  0.299  1.0
  F  F27  1  0.580  0.973  0.207  1.0
  F  F28  1  0.121  0.580  0.701  1.0
  F  F29  1  0.234  0.627  0.207  1.0
  F  F30  1  0.862  0.795  0.165  1.0
  F  F31  1  0.066  0.923  0.643  1.0
  F  F32  1  0.580  0.879  0.458  1.0
  F  F33  1  0.973  0.766  0.393  1.0
  F  F34  1  0.420  0.121  0.542  1.0
  F  F35  1  0.027  0.234  0.607  1.0
  F  F36  1  0.934  0.077  0.357  1.0
  F  F37  1  0.205  0.369  0.066  1.0
  F  F38  1  0.257  0.736  0.993  1.0
  F  F39  1  0.766  0.373  0.793  1.0
  F  F40  1  0.923  0.280  0.857  1.0
  F  F41  1  0.743  0.264  0.007  1.0
  F  F42  1  0.000  0.000  0.000  1.0
  F  F43  1  0.389  0.953  0.342  1.0
  F  F44  1  0.420  0.027  0.793  1.0
  F  F45  1  0.077  0.720  0.143  1.0
  F  F46  1  0.795  0.631  0.934  1.0
  F  F47  1  0.627  0.420  0.393  1.0
  F  F48  1  0.047  0.389  0.436  1.0
  F  F49  1  0.369  0.303  0.165  1.0
  F  F50  1  0.720  0.577  0.643  1.0
  F  F51  1  0.373  0.580  0.607  1.0
  F  F52  1  0.500  0.500  0.000  1.0
  F  F53  1  0.631  0.697  0.835  1.0
[/CIF]
.