Ba5Ce4ZrO15 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Cmmm space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one O(5), three equivalent O(4), four equivalent O(1), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share  a cornercorner with one Ba(3)O12 cuboctahedra; corners with five equivalent Ba(2)O12 cuboctahedra; corners with six Ba(1,1)O12 cuboctahedra; faces with two equivalent Ba(2)O12 cuboctahedra; faces with four Ba(1,1)O12 cuboctahedra; faces with two equivalent Ce(1)O6 octahedra; and faces with six equivalent Ce(2)O6 octahedra. In the second Ba site, Ba(2) is bonded to one O(4), one O(6), two equivalent O(5), four equivalent O(1), and four equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(2)O12 cuboctahedra; corners with four equivalent Ba(3)O12 cuboctahedra; corners with five Ba(1,1)O12 cuboctahedra; faces with two equivalent Ba(1)O12 cuboctahedra; faces with two equivalent Ba(2)O12 cuboctahedra; faces with two equivalent Ba(3)O12 cuboctahedra; faces with two equivalent Ce(2)O6 octahedra; faces with two equivalent Zr(1)O6 octahedra; and faces with four equivalent Ce(1)O6 octahedra. In the third Ba site, Ba(3) is bonded to two equivalent O(5), two equivalent O(6), and eight equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with two Ba(1,1)O12 cuboctahedra; corners with two equivalent Ba(3)O12 cuboctahedra; corners with eight equivalent Ba(2)O12 cuboctahedra; faces with two equivalent Ba(3)O12 cuboctahedra; faces with four equivalent Ba(2)O12 cuboctahedra; faces with four equivalent Ce(1)O6 octahedra; and faces with four equivalent Zr(1)O6 octahedra. In the fourth Ba site, Ba(1) is bonded to one O(5), three equivalent O(4), four equivalent O(1), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share  a cornercorner with one Ba(3)O12 cuboctahedra; corners with five equivalent Ba(2)O12 cuboctahedra; corners with six Ba(1,1)O12 cuboctahedra; faces with two equivalent Ba(2)O12 cuboctahedra; faces with four Ba(1,1)O12 cuboctahedra; faces with two equivalent Ce(1)O6 octahedra; and faces with six equivalent Ce(2)O6 octahedra. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form CeO6 octahedra that share corners with two equivalent Ce(1)O6 octahedra, corners with two equivalent Ce(2)O6 octahedra, corners with two equivalent Zr(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(3)O12 cuboctahedra, and faces with four equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the second Ce site, Ce(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form CeO6 octahedra that share corners with two equivalent Ce(1)O6 octahedra; corners with four equivalent Ce(2)O6 octahedra; faces with two equivalent Ba(2)O12 cuboctahedra; and faces with six Ba(1,1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. Zr(1) is bonded to two equivalent O(6) and four equivalent O(2) atoms to form ZrO6 octahedra that share corners with two equivalent Zr(1)O6 octahedra, corners with four equivalent Ce(1)O6 octahedra, faces with four equivalent Ba(2)O12 cuboctahedra, and faces with four equivalent Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are six inequivalent O sites. In the first O site, O(6) is bonded to two equivalent Ba(2), two equivalent Ba(3), and two equivalent Zr(1) atoms to form distorted corner-sharing OBa4Zr2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(1) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), one Ce(1), and one Ce(2) atom. In the third O site, O(2) is bonded in a distorted linear geometry to two equivalent Ba(2), two equivalent Ba(3), one Ce(1), and one Zr(1) atom. In the fourth O site, O(3) is bonded in a distorted linear geometry to four Ba(1,1) and two equivalent Ce(2) atoms. In the fifth O site, O(4) is bonded in a distorted linear geometry to one Ba(2); three Ba(1,1); and two equivalent Ce(2) atoms. In the sixth O site, O(5) is bonded in a distorted linear geometry to one Ba(1), one Ba(3), two equivalent Ba(2), and two equivalent Ce(1) atoms.
Ba5Ce4ZrO15 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Cmmm space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one O(5), three equivalent O(4), four equivalent O(1), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share  a cornercorner with one Ba(3)O12 cuboctahedra; corners with five equivalent Ba(2)O12 cuboctahedra; corners with six Ba(1,1)O12 cuboctahedra; faces with two equivalent Ba(2)O12 cuboctahedra; faces with four Ba(1,1)O12 cuboctahedra; faces with two equivalent Ce(1)O6 octahedra; and faces with six equivalent Ce(2)O6 octahedra. The Ba(1)-O(5) bond length is 3.23 Å. All Ba(1)-O(4) bond lengths are 3.14 Å. All Ba(1)-O(1) bond lengths are 3.14 Å. All Ba(1)-O(3) bond lengths are 3.14 Å. In the second Ba site, Ba(2) is bonded to one O(4), one O(6), two equivalent O(5), four equivalent O(1), and four equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(2)O12 cuboctahedra; corners with four equivalent Ba(3)O12 cuboctahedra; corners with five Ba(1,1)O12 cuboctahedra; faces with two equivalent Ba(1)O12 cuboctahedra; faces with two equivalent Ba(2)O12 cuboctahedra; faces with two equivalent Ba(3)O12 cuboctahedra; faces with two equivalent Ce(2)O6 octahedra; faces with two equivalent Zr(1)O6 octahedra; and faces with four equivalent Ce(1)O6 octahedra. The Ba(2)-O(4) bond length is 3.31 Å. The Ba(2)-O(6) bond length is 2.98 Å. Both Ba(2)-O(5) bond lengths are 3.14 Å. All Ba(2)-O(1) bond lengths are 3.21 Å. All Ba(2)-O(2) bond lengths are 3.06 Å. In the third Ba site, Ba(3) is bonded to two equivalent O(5), two equivalent O(6), and eight equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with two Ba(1,1)O12 cuboctahedra; corners with two equivalent Ba(3)O12 cuboctahedra; corners with eight equivalent Ba(2)O12 cuboctahedra; faces with two equivalent Ba(3)O12 cuboctahedra; faces with four equivalent Ba(2)O12 cuboctahedra; faces with four equivalent Ce(1)O6 octahedra; and faces with four equivalent Zr(1)O6 octahedra. Both Ba(3)-O(5) bond lengths are 3.05 Å. Both Ba(3)-O(6) bond lengths are 3.14 Å. All Ba(3)-O(2) bond lengths are 3.13 Å. In the fourth Ba site, Ba(1) is bonded to one O(5), three equivalent O(4), four equivalent O(1), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share  a cornercorner with one Ba(3)O12 cuboctahedra; corners with five equivalent Ba(2)O12 cuboctahedra; corners with six Ba(1,1)O12 cuboctahedra; faces with two equivalent Ba(2)O12 cuboctahedra; faces with four Ba(1,1)O12 cuboctahedra; faces with two equivalent Ce(1)O6 octahedra; and faces with six equivalent Ce(2)O6 octahedra. The Ba(1)-O(5) bond length is 3.23 Å. All Ba(1)-O(4) bond lengths are 3.14 Å. All Ba(1)-O(1) bond lengths are 3.14 Å. All Ba(1)-O(3) bond lengths are 3.14 Å. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form CeO6 octahedra that share corners with two equivalent Ce(1)O6 octahedra, corners with two equivalent Ce(2)O6 octahedra, corners with two equivalent Zr(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(3)O12 cuboctahedra, and faces with four equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-2°. Both Ce(1)-O(1) bond lengths are 2.22 Å. Both Ce(1)-O(2) bond lengths are 2.28 Å. Both Ce(1)-O(5) bond lengths are 2.22 Å. In the second Ce site, Ce(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form CeO6 octahedra that share corners with two equivalent Ce(1)O6 octahedra; corners with four equivalent Ce(2)O6 octahedra; faces with two equivalent Ba(2)O12 cuboctahedra; and faces with six Ba(1,1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. Both Ce(2)-O(1) bond lengths are 2.24 Å. Both Ce(2)-O(3) bond lengths are 2.24 Å. Both Ce(2)-O(4) bond lengths are 2.22 Å. Zr(1) is bonded to two equivalent O(6) and four equivalent O(2) atoms to form ZrO6 octahedra that share corners with two equivalent Zr(1)O6 octahedra, corners with four equivalent Ce(1)O6 octahedra, faces with four equivalent Ba(2)O12 cuboctahedra, and faces with four equivalent Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. Both Zr(1)-O(6) bond lengths are 2.22 Å. All Zr(1)-O(2) bond lengths are 2.12 Å. There are six inequivalent O sites. In the first O site, O(6) is bonded to two equivalent Ba(2), two equivalent Ba(3), and two equivalent Zr(1) atoms to form distorted corner-sharing OBa4Zr2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(1) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), one Ce(1), and one Ce(2) atom. In the third O site, O(2) is bonded in a distorted linear geometry to two equivalent Ba(2), two equivalent Ba(3), one Ce(1), and one Zr(1) atom. In the fourth O site, O(3) is bonded in a distorted linear geometry to four Ba(1,1) and two equivalent Ce(2) atoms. In the fifth O site, O(4) is bonded in a distorted linear geometry to one Ba(2); three Ba(1,1); and two equivalent Ce(2) atoms. In the sixth O site, O(5) is bonded in a distorted linear geometry to one Ba(1), one Ba(3), two equivalent Ba(2), and two equivalent Ce(1) atoms.