The structure described by PbBi2F8 crystallizes in the tetragonal I4/mmm space group. Pb(1) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. Bi(1) is bonded in a distorted q6 geometry to one F(3), four equivalent F(1), and four equivalent F(2) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Pb(1) and two equivalent Bi(1) atoms to form FBi2Pb2 tetrahedra that share corners with six equivalent F(2)Bi4 tetrahedra, corners with ten equivalent F(1)Bi2Pb2 tetrahedra,  an edgeedge with one F(2)Bi4 tetrahedra, and edges with five equivalent F(1)Bi2Pb2 tetrahedra. In the second F site, F(2) is bonded to four equivalent Bi(1) atoms to form FBi4 tetrahedra that share corners with four equivalent F(2)Bi4 tetrahedra, corners with twelve equivalent F(1)Bi2Pb2 tetrahedra, edges with two equivalent F(1)Bi2Pb2 tetrahedra, and edges with four equivalent F(2)Bi4 tetrahedra. In the third F site, F(3) is bonded in a single-bond geometry to one Bi(1) atom. is represented by the CIF card [CIF]
data_Bi2PbF8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.850
_cell_length_b   8.850
_cell_length_c   8.850
_cell_angle_alpha   151.845
_cell_angle_beta   151.845
_cell_angle_gamma   40.239
_symmetry_Int_Tables_number   1
_cell_volume   154.044
_cell_formula_units_Z   1
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
  Bi  Bi0  1  0.323  0.323  0.000  1.0
  Bi  Bi1  1  0.677  0.677  0.000  1.0
  Pb  Pb2  1  0.000  0.000  0.000  1.0
  F  F3  1  0.413  0.913  0.500  1.0
  F  F4  1  0.750  0.250  0.500  1.0
  F  F5  1  0.087  0.587  0.500  1.0
  F  F6  1  0.250  0.750  0.500  1.0
  F  F7  1  0.587  0.087  0.500  1.0
  F  F8  1  0.913  0.413  0.500  1.0
  F  F9  1  0.813  0.813  0.000  1.0
  F  F10  1  0.187  0.187  0.000  1.0
[/CIF]
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The structure described by PbBi2F8 crystallizes in the tetragonal I4/mmm space group. Pb(1) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. Bi(1) is bonded in a distorted q6 geometry to one F(3), four equivalent F(1), and four equivalent F(2) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Pb(1) and two equivalent Bi(1) atoms to form FBi2Pb2 tetrahedra that share corners with six equivalent F(2)Bi4 tetrahedra, corners with ten equivalent F(1)Bi2Pb2 tetrahedra,  an edgeedge with one F(2)Bi4 tetrahedra, and edges with five equivalent F(1)Bi2Pb2 tetrahedra. In the second F site, F(2) is bonded to four equivalent Bi(1) atoms to form FBi4 tetrahedra that share corners with four equivalent F(2)Bi4 tetrahedra, corners with twelve equivalent F(1)Bi2Pb2 tetrahedra, edges with two equivalent F(1)Bi2Pb2 tetrahedra, and edges with four equivalent F(2)Bi4 tetrahedra. In the third F site, F(3) is bonded in a single-bond geometry to one Bi(1) atom. is represented by the CIF card [CIF]
data_Bi2PbF8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.850
_cell_length_b   8.850
_cell_length_c   8.850
_cell_angle_alpha   151.845
_cell_angle_beta   151.845
_cell_angle_gamma   40.239
_symmetry_Int_Tables_number   1
_cell_volume   154.044
_cell_formula_units_Z   1
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
  Bi  Bi0  1  0.323  0.323  0.000  1.0
  Bi  Bi1  1  0.677  0.677  0.000  1.0
  Pb  Pb2  1  0.000  0.000  0.000  1.0
  F  F3  1  0.413  0.913  0.500  1.0
  F  F4  1  0.750  0.250  0.500  1.0
  F  F5  1  0.087  0.587  0.500  1.0
  F  F6  1  0.250  0.750  0.500  1.0
  F  F7  1  0.587  0.087  0.500  1.0
  F  F8  1  0.913  0.413  0.500  1.0
  F  F9  1  0.813  0.813  0.000  1.0
  F  F10  1  0.187  0.187  0.000  1.0
[/CIF]
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