The structure described by Ca2AlPbF9 crystallizes in the triclinic P-1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted body-centered cubic geometry to one F(2), one F(3), one F(5), one F(9), two equivalent F(7), and two equivalent F(8) atoms. In the second Ca site, Ca(2) is bonded in a distorted body-centered cubic geometry to one F(2), one F(3), one F(5), one F(9), two equivalent F(7), and two equivalent F(8) atoms. Al(1) is bonded in an octahedral geometry to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom. Pb(1) is bonded in a 5-coordinate geometry to one F(1), one F(6), one F(9), and two equivalent F(4) atoms. There are nine inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to one Al(1) and one Pb(1) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one Al(1) atom. In the third F site, F(3) is bonded in a trigonal non-coplanar geometry to one Ca(1), one Ca(2), and one Al(1) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to one Al(1) and two equivalent Pb(1) atoms. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one Al(1) atom. In the sixth F site, F(6) is bonded in a distorted single-bond geometry to one Al(1) and one Pb(1) atom. In the seventh F site, F(7) is bonded to two equivalent Ca(1) and two equivalent Ca(2) atoms to form a mixture of corner and edge-sharing FCa4 tetrahedra. In the eighth F site, F(8) is bonded to two equivalent Ca(1) and two equivalent Ca(2) atoms to form a mixture of corner and edge-sharing FCa4 tetrahedra. In the ninth F site, F(9) is bonded in a trigonal planar geometry to one Ca(1), one Ca(2), and one Pb(1) atom. is represented by the CIF file [CIF]
data_Ca2AlPbF9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.443
_cell_length_b   5.446
_cell_length_c   12.372
_cell_angle_alpha   91.462
_cell_angle_beta   101.052
_cell_angle_gamma   91.715
_symmetry_Int_Tables_number   1
_cell_volume   359.613
_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
  Ca  Ca0  1  0.958  0.242  0.386  1.0
  Ca  Ca1  1  0.042  0.758  0.614  1.0
  Ca  Ca2  1  0.551  0.266  0.613  1.0
  Ca  Ca3  1  0.449  0.734  0.387  1.0
  Al  Al4  1  0.796  0.793  0.181  1.0
  Al  Al5  1  0.204  0.207  0.819  1.0
  Pb  Pb6  1  0.728  0.718  0.895  1.0
  Pb  Pb7  1  0.272  0.282  0.105  1.0
  F  F8  1  0.151  0.951  0.904  1.0
  F  F9  1  0.849  0.049  0.096  1.0
  F  F10  1  0.258  0.451  0.725  1.0
  F  F11  1  0.742  0.549  0.275  1.0
  F  F12  1  0.629  1.000  0.265  1.0
  F  F13  1  0.371  0.000  0.735  1.0
  F  F14  1  0.958  0.594  0.099  1.0
  F  F15  1  0.042  0.406  0.901  1.0
  F  F16  1  0.084  0.890  0.279  1.0
  F  F17  1  0.916  0.110  0.721  1.0
  F  F18  1  0.500  0.704  0.092  1.0
  F  F19  1  0.500  0.296  0.908  1.0
  F  F20  1  0.748  0.992  0.499  1.0
  F  F21  1  0.252  0.008  0.501  1.0
  F  F22  1  0.750  0.488  0.494  1.0
  F  F23  1  0.250  0.512  0.506  1.0
  F  F24  1  0.743  0.614  0.708  1.0
  F  F25  1  0.257  0.386  0.292  1.0
[/CIF]
.
The structure described by Ca2AlPbF9 crystallizes in the triclinic P-1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted body-centered cubic geometry to one F(2), one F(3), one F(5), one F(9), two equivalent F(7), and two equivalent F(8) atoms. In the second Ca site, Ca(2) is bonded in a distorted body-centered cubic geometry to one F(2), one F(3), one F(5), one F(9), two equivalent F(7), and two equivalent F(8) atoms. Al(1) is bonded in an octahedral geometry to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom. Pb(1) is bonded in a 5-coordinate geometry to one F(1), one F(6), one F(9), and two equivalent F(4) atoms. There are nine inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to one Al(1) and one Pb(1) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one Al(1) atom. In the third F site, F(3) is bonded in a trigonal non-coplanar geometry to one Ca(1), one Ca(2), and one Al(1) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to one Al(1) and two equivalent Pb(1) atoms. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one Al(1) atom. In the sixth F site, F(6) is bonded in a distorted single-bond geometry to one Al(1) and one Pb(1) atom. In the seventh F site, F(7) is bonded to two equivalent Ca(1) and two equivalent Ca(2) atoms to form a mixture of corner and edge-sharing FCa4 tetrahedra. In the eighth F site, F(8) is bonded to two equivalent Ca(1) and two equivalent Ca(2) atoms to form a mixture of corner and edge-sharing FCa4 tetrahedra. In the ninth F site, F(9) is bonded in a trigonal planar geometry to one Ca(1), one Ca(2), and one Pb(1) atom. is represented by the CIF file [CIF]
data_Ca2AlPbF9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.443
_cell_length_b   5.446
_cell_length_c   12.372
_cell_angle_alpha   91.462
_cell_angle_beta   101.052
_cell_angle_gamma   91.715
_symmetry_Int_Tables_number   1
_cell_volume   359.613
_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
  Ca  Ca0  1  0.958  0.242  0.386  1.0
  Ca  Ca1  1  0.042  0.758  0.614  1.0
  Ca  Ca2  1  0.551  0.266  0.613  1.0
  Ca  Ca3  1  0.449  0.734  0.387  1.0
  Al  Al4  1  0.796  0.793  0.181  1.0
  Al  Al5  1  0.204  0.207  0.819  1.0
  Pb  Pb6  1  0.728  0.718  0.895  1.0
  Pb  Pb7  1  0.272  0.282  0.105  1.0
  F  F8  1  0.151  0.951  0.904  1.0
  F  F9  1  0.849  0.049  0.096  1.0
  F  F10  1  0.258  0.451  0.725  1.0
  F  F11  1  0.742  0.549  0.275  1.0
  F  F12  1  0.629  1.000  0.265  1.0
  F  F13  1  0.371  0.000  0.735  1.0
  F  F14  1  0.958  0.594  0.099  1.0
  F  F15  1  0.042  0.406  0.901  1.0
  F  F16  1  0.084  0.890  0.279  1.0
  F  F17  1  0.916  0.110  0.721  1.0
  F  F18  1  0.500  0.704  0.092  1.0
  F  F19  1  0.500  0.296  0.908  1.0
  F  F20  1  0.748  0.992  0.499  1.0
  F  F21  1  0.252  0.008  0.501  1.0
  F  F22  1  0.750  0.488  0.494  1.0
  F  F23  1  0.250  0.512  0.506  1.0
  F  F24  1  0.743  0.614  0.708  1.0
  F  F25  1  0.257  0.386  0.292  1.0
[/CIF]
.