Ba5Pb4BiO15 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. There are five inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms. In the second Ba site, Ba(2) is bonded in a 11-coordinate geometry to one O(9), two equivalent O(1), two equivalent O(10), two equivalent O(2), and four equivalent O(3) atoms. In the third Ba site, Ba(3) is bonded in a 11-coordinate geometry to one O(10), two equivalent O(1), two equivalent O(2), two equivalent O(9), and four equivalent O(3) atoms. In the fourth Ba site, Ba(4) is bonded in a 11-coordinate geometry to three equivalent O(7), four equivalent O(4), and four equivalent O(5) atoms. In the fifth Ba site, Ba(5) is bonded in a 11-coordinate geometry to one O(8), two equivalent O(1), two equivalent O(2), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are five inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to one O(10), one O(8), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing PbO6 octahedra. The corner-sharing octahedral tilt angles range from 13-22°. In the second Pb site, Pb(2) is bonded to two equivalent O(9) and four equivalent O(3) atoms to form corner-sharing PbO6 octahedra. The corner-sharing octahedral tilt angles range from 18-23°. In the third Pb site, Pb(3) is bonded to one O(6), one O(9), two equivalent O(1), and two equivalent O(2) atoms to form PbO6 octahedra that share  a cornercorner with one Pb(2)O6 octahedra,  a cornercorner with one Bi(1)O6 octahedra, and corners with four equivalent Pb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-23°. In the fourth Pb site, Pb(4) is bonded to one O(7), one O(8), two equivalent O(4), and two equivalent O(5) atoms to form PbO6 octahedra that share  a cornercorner with one Pb(1)O6 octahedra and corners with five equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-21°. In the fifth Pb site, Pb(5) is bonded to two equivalent O(10) and four equivalent O(3) atoms to form corner-sharing PbO6 octahedra. The corner-sharing octahedral tilt angles range from 18-22°. Bi(1) is bonded to one O(6), one O(7), two equivalent O(4), and two equivalent O(5) atoms to form BiO6 octahedra that share  a cornercorner with one Pb(3)O6 octahedra and corners with five equivalent Pb(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-20°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one Ba(5), one Pb(1), and one Pb(3) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one Ba(5), one Pb(1), and one Pb(3) 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(2), and one Pb(5) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(5), two equivalent Ba(4), one Pb(4), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(5), two equivalent Ba(4), one Pb(4), and one Bi(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to two equivalent Ba(1), two equivalent Ba(5), one Pb(3), and one Bi(1) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to three equivalent Ba(4), one Pb(4), and one Bi(1) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Ba(5), two equivalent Ba(1), one Pb(1), and one Pb(4) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Ba(2), two equivalent Ba(3), one Pb(2), and one Pb(3) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Ba(3), two equivalent Ba(2), one Pb(1), and one Pb(5) atom.
Ba5Pb4BiO15 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. There are five inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms. Both Ba(1)-O(1) bond lengths are 2.80 Å. Both Ba(1)-O(2) bond lengths are 3.24 Å. Both Ba(1)-O(4) bond lengths are 3.38 Å. Both Ba(1)-O(5) bond lengths are 2.94 Å. There is one shorter (2.75 Å) and one longer (3.48 Å) Ba(1)-O(6) bond length. Both Ba(1)-O(8) bond lengths are 3.10 Å. In the second Ba site, Ba(2) is bonded in a 11-coordinate geometry to one O(9), two equivalent O(1), two equivalent O(10), two equivalent O(2), and four equivalent O(3) atoms. The Ba(2)-O(9) bond length is 2.71 Å. Both Ba(2)-O(1) bond lengths are 3.36 Å. Both Ba(2)-O(10) bond lengths are 3.11 Å. Both Ba(2)-O(2) bond lengths are 2.89 Å. There are two shorter (2.82 Å) and two longer (3.34 Å) Ba(2)-O(3) bond lengths. In the third Ba site, Ba(3) is bonded in a 11-coordinate geometry to one O(10), two equivalent O(1), two equivalent O(2), two equivalent O(9), and four equivalent O(3) atoms. The Ba(3)-O(10) bond length is 2.72 Å. Both Ba(3)-O(1) bond lengths are 3.36 Å. Both Ba(3)-O(2) bond lengths are 2.89 Å. Both Ba(3)-O(9) bond lengths are 3.11 Å. There are two shorter (2.82 Å) and two longer (3.34 Å) Ba(3)-O(3) bond lengths. In the fourth Ba site, Ba(4) is bonded in a 11-coordinate geometry to three equivalent O(7), four equivalent O(4), and four equivalent O(5) atoms. There is one shorter (2.75 Å) and two longer (3.10 Å) Ba(4)-O(7) bond lengths. There are two shorter (2.84 Å) and two longer (2.85 Å) Ba(4)-O(4) bond lengths. There are two shorter (3.26 Å) and two longer (3.28 Å) Ba(4)-O(5) bond lengths. In the fifth Ba site, Ba(5) is bonded in a 11-coordinate geometry to one O(8), two equivalent O(1), two equivalent O(2), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. The Ba(5)-O(8) bond length is 2.73 Å. Both Ba(5)-O(1) bond lengths are 2.81 Å. Both Ba(5)-O(2) bond lengths are 3.24 Å. Both Ba(5)-O(4) bond lengths are 3.37 Å. Both Ba(5)-O(5) bond lengths are 2.93 Å. Both Ba(5)-O(6) bond lengths are 3.10 Å. There are five inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to one O(10), one O(8), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing PbO6 octahedra. The corner-sharing octahedral tilt angles range from 13-22°. The Pb(1)-O(10) bond length is 2.20 Å. The Pb(1)-O(8) bond length is 2.24 Å. Both Pb(1)-O(1) bond lengths are 2.21 Å. Both Pb(1)-O(2) bond lengths are 2.21 Å. In the second Pb site, Pb(2) is bonded to two equivalent O(9) and four equivalent O(3) atoms to form corner-sharing PbO6 octahedra. The corner-sharing octahedral tilt angles range from 18-23°. Both Pb(2)-O(9) bond lengths are 2.21 Å. All Pb(2)-O(3) bond lengths are 2.21 Å. In the third Pb site, Pb(3) is bonded to one O(6), one O(9), two equivalent O(1), and two equivalent O(2) atoms to form PbO6 octahedra that share  a cornercorner with one Pb(2)O6 octahedra,  a cornercorner with one Bi(1)O6 octahedra, and corners with four equivalent Pb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-23°. The Pb(3)-O(6) bond length is 2.26 Å. The Pb(3)-O(9) bond length is 2.19 Å. Both Pb(3)-O(1) bond lengths are 2.21 Å. Both Pb(3)-O(2) bond lengths are 2.21 Å. In the fourth Pb site, Pb(4) is bonded to one O(7), one O(8), two equivalent O(4), and two equivalent O(5) atoms to form PbO6 octahedra that share  a cornercorner with one Pb(1)O6 octahedra and corners with five equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-21°. The Pb(4)-O(7) bond length is 2.23 Å. The Pb(4)-O(8) bond length is 2.18 Å. Both Pb(4)-O(4) bond lengths are 2.23 Å. Both Pb(4)-O(5) bond lengths are 2.23 Å. In the fifth Pb site, Pb(5) is bonded to two equivalent O(10) and four equivalent O(3) atoms to form corner-sharing PbO6 octahedra. The corner-sharing octahedral tilt angles range from 18-22°. Both Pb(5)-O(10) bond lengths are 2.21 Å. All Pb(5)-O(3) bond lengths are 2.21 Å. Bi(1) is bonded to one O(6), one O(7), two equivalent O(4), and two equivalent O(5) atoms to form BiO6 octahedra that share  a cornercorner with one Pb(3)O6 octahedra and corners with five equivalent Pb(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-20°. The Bi(1)-O(6) bond length is 2.17 Å. The Bi(1)-O(7) bond length is 2.19 Å. Both Bi(1)-O(4) bond lengths are 2.19 Å. Both Bi(1)-O(5) bond lengths are 2.18 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one Ba(5), one Pb(1), and one Pb(3) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one Ba(5), one Pb(1), and one Pb(3) 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(2), and one Pb(5) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(5), two equivalent Ba(4), one Pb(4), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(5), two equivalent Ba(4), one Pb(4), and one Bi(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to two equivalent Ba(1), two equivalent Ba(5), one Pb(3), and one Bi(1) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to three equivalent Ba(4), one Pb(4), and one Bi(1) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Ba(5), two equivalent Ba(1), one Pb(1), and one Pb(4) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Ba(2), two equivalent Ba(3), one Pb(2), and one Pb(3) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Ba(3), two equivalent Ba(2), one Pb(1), and one Pb(5) atom.