The material structure described by Ba4Ti5PbO15 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(5) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with four equivalent Ba(2)O12 cuboctahedra, corners with four equivalent Pb(1)O12 cuboctahedra,  a faceface with one Ba(2)O12 cuboctahedra,  a faceface with one Pb(1)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ti(1)O6 octahedra, and faces with four equivalent Ti(2)O6 octahedra. In the second Ba site, Ba(2) is bonded to four equivalent O(2), four equivalent O(3), and four equivalent O(6) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with eight equivalent Ba(2)O12 cuboctahedra,  a faceface with one Ba(1)O12 cuboctahedra, faces with five equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Ti(2)O6 octahedra, and faces with four equivalent Ti(3)O6 octahedra. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(4), one O(5), and four equivalent O(1) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with five equivalent Ti(1)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Pb(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second Ti site, Ti(2) is bonded to one O(5), one O(6), and four equivalent O(2) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, corners with four equivalent Ti(2)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the third Ti site, Ti(3) is bonded to two equivalent O(6) and four equivalent O(3) atoms to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Ti(3)O6 octahedra, and faces with eight equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Pb(1) is bonded to four equivalent O(4) and eight equivalent O(1) atoms to form PbO12 cuboctahedra that share corners with four equivalent Pb(1)O12 cuboctahedra, corners with eight equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Pb(1)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ti(1), and two equivalent Pb(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Ti(2) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to four equivalent Ba(2) and two equivalent Ti(3) atoms. In the fourth O site, O(4) is bonded in a linear geometry to two equivalent Ti(1) and four equivalent Pb(1) atoms. In the fifth O site, O(5) is bonded in a distorted linear geometry to four equivalent Ba(1), one Ti(1), and one Ti(2) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to four equivalent Ba(2), one Ti(2), and one Ti(3) atom. In the seventh O site, O(5) is bonded in a distorted linear geometry to four equivalent Ba(1), one Ti(1), and one Ti(2) atom. is represented by the CIF card [CIF]
data_Ba4Ti5PbO15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.022
_cell_length_b   4.022
_cell_length_c   20.103
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   325.222
_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  0.000  0.000  0.199  1.0
  Ba  Ba1  1  0.000  0.000  0.400  1.0
  Ba  Ba2  1  0.000  0.000  0.600  1.0
  Ba  Ba3  1  0.000  0.000  0.801  1.0
  Ti  Ti4  1  0.500  0.500  0.099  1.0
  Ti  Ti5  1  0.500  0.500  0.300  1.0
  Ti  Ti6  1  0.500  0.500  0.500  1.0
  Ti  Ti7  1  0.500  0.500  0.700  1.0
  Ti  Ti8  1  0.500  0.500  0.901  1.0
  Pb  Pb9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.000  0.500  0.099  1.0
  O  O11  1  0.000  0.500  0.300  1.0
  O  O12  1  0.000  0.500  0.500  1.0
  O  O13  1  0.000  0.500  0.700  1.0
  O  O14  1  0.000  0.500  0.901  1.0
  O  O15  1  0.500  0.000  0.099  1.0
  O  O16  1  0.500  0.000  0.300  1.0
  O  O17  1  0.500  0.000  0.500  1.0
  O  O18  1  0.500  0.000  0.700  1.0
  O  O19  1  0.500  0.000  0.901  1.0
  O  O20  1  0.500  0.500  0.000  1.0
  O  O21  1  0.500  0.500  0.200  1.0
  O  O22  1  0.500  0.500  0.400  1.0
  O  O23  1  0.500  0.500  0.600  1.0
  O  O24  1  0.500  0.500  0.800  1.0
[/CIF]
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The material structure described by Ba4Ti5PbO15 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(5) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with four equivalent Ba(2)O12 cuboctahedra, corners with four equivalent Pb(1)O12 cuboctahedra,  a faceface with one Ba(2)O12 cuboctahedra,  a faceface with one Pb(1)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ti(1)O6 octahedra, and faces with four equivalent Ti(2)O6 octahedra. In the second Ba site, Ba(2) is bonded to four equivalent O(2), four equivalent O(3), and four equivalent O(6) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with eight equivalent Ba(2)O12 cuboctahedra,  a faceface with one Ba(1)O12 cuboctahedra, faces with five equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Ti(2)O6 octahedra, and faces with four equivalent Ti(3)O6 octahedra. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(4), one O(5), and four equivalent O(1) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with five equivalent Ti(1)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Pb(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second Ti site, Ti(2) is bonded to one O(5), one O(6), and four equivalent O(2) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, corners with four equivalent Ti(2)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the third Ti site, Ti(3) is bonded to two equivalent O(6) and four equivalent O(3) atoms to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Ti(3)O6 octahedra, and faces with eight equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Pb(1) is bonded to four equivalent O(4) and eight equivalent O(1) atoms to form PbO12 cuboctahedra that share corners with four equivalent Pb(1)O12 cuboctahedra, corners with eight equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Pb(1)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ti(1), and two equivalent Pb(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Ti(2) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to four equivalent Ba(2) and two equivalent Ti(3) atoms. In the fourth O site, O(4) is bonded in a linear geometry to two equivalent Ti(1) and four equivalent Pb(1) atoms. In the fifth O site, O(5) is bonded in a distorted linear geometry to four equivalent Ba(1), one Ti(1), and one Ti(2) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to four equivalent Ba(2), one Ti(2), and one Ti(3) atom. In the seventh O site, O(5) is bonded in a distorted linear geometry to four equivalent Ba(1), one Ti(1), and one Ti(2) atom. is represented by the CIF card [CIF]
data_Ba4Ti5PbO15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.022
_cell_length_b   4.022
_cell_length_c   20.103
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   325.222
_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  0.000  0.000  0.199  1.0
  Ba  Ba1  1  0.000  0.000  0.400  1.0
  Ba  Ba2  1  0.000  0.000  0.600  1.0
  Ba  Ba3  1  0.000  0.000  0.801  1.0
  Ti  Ti4  1  0.500  0.500  0.099  1.0
  Ti  Ti5  1  0.500  0.500  0.300  1.0
  Ti  Ti6  1  0.500  0.500  0.500  1.0
  Ti  Ti7  1  0.500  0.500  0.700  1.0
  Ti  Ti8  1  0.500  0.500  0.901  1.0
  Pb  Pb9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.000  0.500  0.099  1.0
  O  O11  1  0.000  0.500  0.300  1.0
  O  O12  1  0.000  0.500  0.500  1.0
  O  O13  1  0.000  0.500  0.700  1.0
  O  O14  1  0.000  0.500  0.901  1.0
  O  O15  1  0.500  0.000  0.099  1.0
  O  O16  1  0.500  0.000  0.300  1.0
  O  O17  1  0.500  0.000  0.500  1.0
  O  O18  1  0.500  0.000  0.700  1.0
  O  O19  1  0.500  0.000  0.901  1.0
  O  O20  1  0.500  0.500  0.000  1.0
  O  O21  1  0.500  0.500  0.200  1.0
  O  O22  1  0.500  0.500  0.400  1.0
  O  O23  1  0.500  0.500  0.600  1.0
  O  O24  1  0.500  0.500  0.800  1.0
[/CIF]
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