Ba4Ce2BiO12 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(1), one O(3), one O(6), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(2), one O(3), one O(6), two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form corner-sharing CeO6 octahedra. The corner-sharing octahedral tilt angles range from 24-25°. In the second Ce site, Ce(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form CeO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra and corners with four equivalent Ce(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-25°. Bi(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form BiO6 octahedra that share corners with two equivalent Ce(2)O6 octahedra. The corner-sharing octahedral tilt angles are 22°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Ba(1), two equivalent Ba(2), and one Ce(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(2), two equivalent Ba(1), one Ce(2), and one Bi(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Ce(1), and one Ce(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), and one Bi(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Ce(1), and one Ce(2) atom.
Ba4Ce2BiO12 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(1), one O(3), one O(6), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. The Ba(1)-O(1) bond length is 2.77 Å. The Ba(1)-O(3) bond length is 3.01 Å. The Ba(1)-O(6) bond length is 2.85 Å. There is one shorter (3.04 Å) and one longer (3.24 Å) Ba(1)-O(2) bond length. There is one shorter (2.73 Å) and one longer (3.09 Å) Ba(1)-O(4) bond length. There is one shorter (2.78 Å) and one longer (3.34 Å) Ba(1)-O(5) bond length. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(2), one O(3), one O(6), two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms. The Ba(2)-O(2) bond length is 2.79 Å. The Ba(2)-O(3) bond length is 2.88 Å. The Ba(2)-O(6) bond length is 2.97 Å. There is one shorter (2.99 Å) and one longer (3.37 Å) Ba(2)-O(1) bond length. There is one shorter (2.83 Å) and one longer (3.27 Å) Ba(2)-O(4) bond length. There is one shorter (2.80 Å) and one longer (2.95 Å) Ba(2)-O(5) bond length. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form corner-sharing CeO6 octahedra. The corner-sharing octahedral tilt angles range from 24-25°. Both Ce(1)-O(1) bond lengths are 2.00 Å. Both Ce(1)-O(3) bond lengths are 2.30 Å. Both Ce(1)-O(6) bond lengths are 2.30 Å. In the second Ce site, Ce(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form CeO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra and corners with four equivalent Ce(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-25°. Both Ce(2)-O(2) bond lengths are 2.29 Å. Both Ce(2)-O(3) bond lengths are 2.22 Å. Both Ce(2)-O(6) bond lengths are 2.21 Å. Bi(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form BiO6 octahedra that share corners with two equivalent Ce(2)O6 octahedra. The corner-sharing octahedral tilt angles are 22°. Both Bi(1)-O(2) bond lengths are 2.22 Å. Both Bi(1)-O(4) bond lengths are 2.09 Å. Both Bi(1)-O(5) bond lengths are 2.10 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Ba(1), two equivalent Ba(2), and one Ce(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(2), two equivalent Ba(1), one Ce(2), and one Bi(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Ce(1), and one Ce(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), and one Bi(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Ce(1), and one Ce(2) atom.