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.
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. All Ba(1)-O(1) bond lengths are 2.85 Å. All Ba(1)-O(2) bond lengths are 2.85 Å. All Ba(1)-O(5) bond lengths are 2.84 Å. 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. All Ba(2)-O(2) bond lengths are 2.84 Å. All Ba(2)-O(3) bond lengths are 2.84 Å. All Ba(2)-O(6) bond lengths are 2.84 Å. 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. The Ti(1)-O(4) bond length is 1.98 Å. The Ti(1)-O(5) bond length is 2.03 Å. All Ti(1)-O(1) bond lengths are 2.01 Å. 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. The Ti(2)-O(5) bond length is 2.01 Å. The Ti(2)-O(6) bond length is 2.02 Å. All Ti(2)-O(2) bond lengths are 2.01 Å. 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. Both Ti(3)-O(6) bond lengths are 2.01 Å. All Ti(3)-O(3) bond lengths are 2.01 Å. 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. All Pb(1)-O(4) bond lengths are 2.84 Å. All Pb(1)-O(1) bond lengths are 2.83 Å. 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. All O(5)-Ba(1) bond lengths are 2.84 Å. The O(5)-Ti(1) bond length is 2.03 Å. The O(5)-Ti(2) bond length is 2.01 Å.