The crystal structure described by Ba4TlPb2BiO9 crystallizes in the orthorhombic Pccm space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent O(5), four equivalent O(2), and four equivalent O(3) atoms. In the third Ba site, Ba(3) is bonded in a 4-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Tl(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(4) atoms. Pb(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. Bi(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form corner-sharing BiO6 octahedra. The corner-sharing octahedra are not tilted. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Tl(1), and one Pb(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Ba(3), one Pb(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(2), two equivalent Ba(3), one Pb(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Ba(3), one Tl(1), and one Pb(1) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to two equivalent Ba(2) and two equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_Ba4TlBiPb2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.363
_cell_length_b   8.165
_cell_length_c   12.755
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   662.671
_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  0.500  0.750  0.000  1.0
  Ba  Ba1  1  0.500  0.750  0.500  1.0
  Ba  Ba2  1  0.000  0.250  0.260  1.0
  Ba  Ba3  1  0.000  0.250  0.740  1.0
  Ba  Ba4  1  0.000  0.750  0.260  1.0
  Ba  Ba5  1  0.000  0.750  0.740  1.0
  Ba  Ba6  1  0.500  0.250  0.000  1.0
  Ba  Ba7  1  0.500  0.250  0.500  1.0
  Tl  Tl8  1  0.000  0.000  0.000  1.0
  Tl  Tl9  1  0.000  0.500  0.000  1.0
  Bi  Bi10  1  0.000  0.500  0.500  1.0
  Bi  Bi11  1  0.000  0.000  0.500  1.0
  Pb  Pb12  1  0.500  0.500  0.248  1.0
  Pb  Pb13  1  0.500  0.500  0.752  1.0
  Pb  Pb14  1  0.500  0.000  0.248  1.0
  Pb  Pb15  1  0.500  0.000  0.752  1.0
  O  O16  1  0.711  0.500  0.095  1.0
  O  O17  1  0.717  0.500  0.600  1.0
  O  O18  1  0.801  0.500  0.359  1.0
  O  O19  1  0.810  0.500  0.857  1.0
  O  O20  1  0.000  0.250  0.500  1.0
  O  O21  1  0.000  0.750  0.500  1.0
  O  O22  1  0.199  0.000  0.359  1.0
  O  O23  1  0.190  0.000  0.857  1.0
  O  O24  1  0.190  0.500  0.143  1.0
  O  O25  1  0.199  0.500  0.641  1.0
  O  O26  1  0.289  0.000  0.095  1.0
  O  O27  1  0.283  0.000  0.600  1.0
  O  O28  1  0.283  0.500  0.400  1.0
  O  O29  1  0.289  0.500  0.905  1.0
  O  O30  1  0.717  0.000  0.400  1.0
  O  O31  1  0.711  0.000  0.905  1.0
  O  O32  1  0.810  0.000  0.143  1.0
  O  O33  1  0.801  0.000  0.641  1.0
[/CIF]
.
The crystal structure described by Ba4TlPb2BiO9 crystallizes in the orthorhombic Pccm space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent O(5), four equivalent O(2), and four equivalent O(3) atoms. In the third Ba site, Ba(3) is bonded in a 4-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Tl(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(4) atoms. Pb(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. Bi(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form corner-sharing BiO6 octahedra. The corner-sharing octahedra are not tilted. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Tl(1), and one Pb(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Ba(3), one Pb(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(2), two equivalent Ba(3), one Pb(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Ba(3), one Tl(1), and one Pb(1) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to two equivalent Ba(2) and two equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_Ba4TlBiPb2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.363
_cell_length_b   8.165
_cell_length_c   12.755
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   662.671
_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  0.500  0.750  0.000  1.0
  Ba  Ba1  1  0.500  0.750  0.500  1.0
  Ba  Ba2  1  0.000  0.250  0.260  1.0
  Ba  Ba3  1  0.000  0.250  0.740  1.0
  Ba  Ba4  1  0.000  0.750  0.260  1.0
  Ba  Ba5  1  0.000  0.750  0.740  1.0
  Ba  Ba6  1  0.500  0.250  0.000  1.0
  Ba  Ba7  1  0.500  0.250  0.500  1.0
  Tl  Tl8  1  0.000  0.000  0.000  1.0
  Tl  Tl9  1  0.000  0.500  0.000  1.0
  Bi  Bi10  1  0.000  0.500  0.500  1.0
  Bi  Bi11  1  0.000  0.000  0.500  1.0
  Pb  Pb12  1  0.500  0.500  0.248  1.0
  Pb  Pb13  1  0.500  0.500  0.752  1.0
  Pb  Pb14  1  0.500  0.000  0.248  1.0
  Pb  Pb15  1  0.500  0.000  0.752  1.0
  O  O16  1  0.711  0.500  0.095  1.0
  O  O17  1  0.717  0.500  0.600  1.0
  O  O18  1  0.801  0.500  0.359  1.0
  O  O19  1  0.810  0.500  0.857  1.0
  O  O20  1  0.000  0.250  0.500  1.0
  O  O21  1  0.000  0.750  0.500  1.0
  O  O22  1  0.199  0.000  0.359  1.0
  O  O23  1  0.190  0.000  0.857  1.0
  O  O24  1  0.190  0.500  0.143  1.0
  O  O25  1  0.199  0.500  0.641  1.0
  O  O26  1  0.289  0.000  0.095  1.0
  O  O27  1  0.283  0.000  0.600  1.0
  O  O28  1  0.283  0.500  0.400  1.0
  O  O29  1  0.289  0.500  0.905  1.0
  O  O30  1  0.717  0.000  0.400  1.0
  O  O31  1  0.711  0.000  0.905  1.0
  O  O32  1  0.810  0.000  0.143  1.0
  O  O33  1  0.801  0.000  0.641  1.0
[/CIF]
.