The structure described by Ba4PbBi3O12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 12-coordinate geometry to one O(1), two equivalent O(4), three equivalent O(2), and six equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 11-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(3), and six equivalent O(4) atoms. Pb(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form PbO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-20°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form BiO6 octahedra that share corners with three equivalent Pb(1)O6 octahedra and corners with three equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-20°. In the second Bi site, Bi(2) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 15-20°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Bi(1), and one Bi(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(2), three equivalent Ba(1), one Pb(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(2), three equivalent Ba(1), one Pb(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Ba(1), three equivalent Ba(2), one Bi(1), and one Bi(2) atom. is represented by the CIF card [CIF]
data_Ba4Bi3PbO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.224
_cell_length_b   6.224
_cell_length_c   10.774
_cell_angle_alpha   73.578
_cell_angle_beta   73.578
_cell_angle_gamma   60.028
_symmetry_Int_Tables_number   1
_cell_volume   341.772
_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
  Ba  Ba0  1  0.129  0.129  0.620  1.0
  Ba  Ba1  1  0.627  0.627  0.124  1.0
  Ba  Ba2  1  0.373  0.373  0.876  1.0
  Ba  Ba3  1  0.871  0.871  0.380  1.0
  Bi  Bi4  1  0.751  0.751  0.749  1.0
  Bi  Bi5  1  0.249  0.249  0.251  1.0
  Bi  Bi6  1  0.000  0.000  0.000  1.0
  Pb  Pb7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.906  0.906  0.842  1.0
  O  O9  1  0.406  0.406  0.344  1.0
  O  O10  1  0.594  0.594  0.656  1.0
  O  O11  1  0.094  0.094  0.158  1.0
  O  O12  1  0.108  0.607  0.608  1.0
  O  O13  1  0.607  0.108  0.110  1.0
  O  O14  1  0.892  0.393  0.890  1.0
  O  O15  1  0.393  0.892  0.392  1.0
  O  O16  1  0.607  0.108  0.608  1.0
  O  O17  1  0.108  0.607  0.110  1.0
  O  O18  1  0.393  0.892  0.890  1.0
  O  O19  1  0.892  0.393  0.392  1.0
[/CIF]
.
The structure described by Ba4PbBi3O12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 12-coordinate geometry to one O(1), two equivalent O(4), three equivalent O(2), and six equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 11-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(3), and six equivalent O(4) atoms. Pb(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form PbO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-20°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form BiO6 octahedra that share corners with three equivalent Pb(1)O6 octahedra and corners with three equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-20°. In the second Bi site, Bi(2) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 15-20°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Bi(1), and one Bi(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(2), three equivalent Ba(1), one Pb(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(2), three equivalent Ba(1), one Pb(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Ba(1), three equivalent Ba(2), one Bi(1), and one Bi(2) atom. is represented by the CIF card [CIF]
data_Ba4Bi3PbO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.224
_cell_length_b   6.224
_cell_length_c   10.774
_cell_angle_alpha   73.578
_cell_angle_beta   73.578
_cell_angle_gamma   60.028
_symmetry_Int_Tables_number   1
_cell_volume   341.772
_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
  Ba  Ba0  1  0.129  0.129  0.620  1.0
  Ba  Ba1  1  0.627  0.627  0.124  1.0
  Ba  Ba2  1  0.373  0.373  0.876  1.0
  Ba  Ba3  1  0.871  0.871  0.380  1.0
  Bi  Bi4  1  0.751  0.751  0.749  1.0
  Bi  Bi5  1  0.249  0.249  0.251  1.0
  Bi  Bi6  1  0.000  0.000  0.000  1.0
  Pb  Pb7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.906  0.906  0.842  1.0
  O  O9  1  0.406  0.406  0.344  1.0
  O  O10  1  0.594  0.594  0.656  1.0
  O  O11  1  0.094  0.094  0.158  1.0
  O  O12  1  0.108  0.607  0.608  1.0
  O  O13  1  0.607  0.108  0.110  1.0
  O  O14  1  0.892  0.393  0.890  1.0
  O  O15  1  0.393  0.892  0.392  1.0
  O  O16  1  0.607  0.108  0.608  1.0
  O  O17  1  0.108  0.607  0.110  1.0
  O  O18  1  0.393  0.892  0.890  1.0
  O  O19  1  0.892  0.393  0.392  1.0
[/CIF]
.